- 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 = 3.34, residual support = 47.0:
      O   HA    MET   11 - HN    MET   11   2.77 +/- 0.21  82.568% * 91.9851% (0.95  10.0   3.36  47.54) =  98.569%  kept
          HA    ALA   12 - HN    MET   11   5.23 +/- 0.57  14.790% *  7.4440% (0.73   1.0   2.11  11.85) =   1.429%  kept
          HA    GLU-  14 - HN    MET   11  10.62 +/- 1.11   1.624% *  0.0590% (0.61   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    MET   11  33.14 +/- 6.49   0.245% *  0.0843% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.36 +/- 4.12   0.104% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  30.67 +/- 5.18   0.109% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  22.00 +/- 3.62   0.206% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  40.35 +/- 6.98   0.055% *  0.0843% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  32.42 +/- 5.98   0.113% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  40.05 +/- 7.65   0.050% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  31.88 +/- 5.76   0.083% *  0.0242% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  38.41 +/- 6.30   0.051% *  0.0216% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.582, support = 2.76, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.66 +/- 0.26  45.746% * 68.6590% (0.71  10.0   2.38  12.51) =  66.151%  kept
      O   HA    MET   11 - HN    ALA   12   2.56 +/- 0.27  51.745% * 31.0568% (0.32  10.0   3.51  11.85) =  33.846%  kept
          HA    GLU-  14 - HN    ALA   12   7.59 +/- 0.68   2.173% *  0.0691% (0.72   1.0   0.02   0.02) =   0.003%
          HB    THR   77 - HN    ALA   12  31.17 +/- 6.00   0.115% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  29.60 +/- 4.79   0.045% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  38.01 +/- 7.57   0.029% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  27.11 +/- 3.70   0.060% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.44 +/- 4.36   0.059% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  38.33 +/- 6.90   0.028% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 1.72, residual support = 5.2:
      O   HA    ALA   12 - HN    SER   13   2.60 +/- 0.45  82.285% * 87.3467% (0.14  10.0   1.72   5.16) =  97.444%  kept
          HA    GLU-  14 - HN    SER   13   4.56 +/- 0.57  17.094% * 11.0152% (0.20   1.0   1.49   6.65) =   2.553%  kept
          HA    TRP   87 - HN    SER   13  36.76 +/- 7.57   0.127% *  0.7343% (0.98   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    SER   13  27.48 +/- 4.27   0.181% *  0.3941% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    SER   13  24.27 +/- 3.25   0.161% *  0.3941% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  36.12 +/- 7.83   0.151% *  0.1156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 6.23:
      O   QB    SER   13 - HN    SER   13   2.93 +/- 0.29  97.417% * 99.5044% (0.87  10.0   2.06   6.23) =  99.997%  kept
          HB3   SER   37 - HN    SER   13  15.78 +/- 3.77   1.036% *  0.1124% (0.98   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    SER   13  16.46 +/- 4.31   0.887% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    SER   13  35.17 +/- 6.99   0.269% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  26.56 +/- 3.50   0.162% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  32.41 +/- 7.53   0.230% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.46, residual support = 49.7:
      O   HA    GLN   17 - HN    VAL   18   2.38 +/- 0.10  93.626% * 99.5491% (0.81  10.0   5.46  49.73) =  99.997%  kept
          HA    GLU-  15 - HN    VAL   18   7.57 +/- 0.45   3.030% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    VAL   18  13.89 +/- 4.48   0.817% *  0.1100% (0.89   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   18  15.04 +/- 3.02   0.746% *  0.0995% (0.81   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  19.64 +/- 5.89   0.281% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.46 +/- 1.52   0.804% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  16.40 +/- 4.08   0.441% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  22.70 +/- 3.79   0.139% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  25.79 +/- 6.76   0.115% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.363, support = 5.51, residual support = 75.3:
      O   HA    VAL   18 - HN    VAL   18   2.84 +/- 0.05  79.464% * 86.2474% (0.36  10.0   5.56  76.43) =  98.519%  kept
          HA1   GLY   16 - HN    VAL   18   6.28 +/- 0.34   7.822% * 12.8744% (0.43   1.0   2.50   0.02) =   1.448%  kept
          HA    VAL   70 - HN    VAL   18  10.04 +/- 5.73   7.785% *  0.1993% (0.84   1.0   0.02   0.02) =   0.022%
          HB2   SER   37 - HN    VAL   18  13.29 +/- 3.14   2.527% *  0.1840% (0.77   1.0   0.02   0.02) =   0.007%
          HA    LYS+  33 - HN    VAL   18  14.87 +/- 2.39   0.829% *  0.1301% (0.55   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    VAL   18  15.25 +/- 3.07   1.026% *  0.0945% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   18  19.23 +/- 3.27   0.337% *  0.1993% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  25.65 +/- 8.39   0.211% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 2.11, residual support = 6.59:
      O   HA    SER   13 - HN    GLU-  14   2.60 +/- 0.36  85.103% * 89.9745% (0.67  10.0   2.11   6.65) =  98.748%  kept
          HA    GLU-  15 - HN    GLU-  14   5.60 +/- 0.35  10.086% *  9.5958% (0.67   1.0   2.13   1.59) =   1.248%  kept
          HA    GLN   17 - HN    GLU-  14   9.74 +/- 0.98   2.251% *  0.0677% (0.51   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    GLU-  14  14.04 +/- 3.91   0.967% *  0.0677% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLU-  14  17.03 +/- 2.44   0.389% *  0.0779% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  23.95 +/- 3.06   0.249% *  0.0882% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  27.19 +/- 4.17   0.259% *  0.0747% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  19.99 +/- 2.81   0.278% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  21.61 +/- 4.44   0.244% *  0.0208% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  27.47 +/- 3.38   0.174% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 3.6, residual support = 17.2:
          HN    GLN   17 - HN    GLY   16   2.36 +/- 0.11  96.738% * 86.7511% (0.13   3.60  17.23) =  99.954%  kept
          HN    THR   39 - HN    GLY   16  11.57 +/- 4.76   2.417% *  0.5494% (0.15   0.02   0.13) =   0.016%
          HN    ALA   61 - HN    GLY   16  18.19 +/- 3.82   0.282% *  3.5295% (0.97   0.02   0.02) =   0.012%
          HN    TRP   27 - HN    GLY   16  16.02 +/- 1.47   0.362% *  2.4461% (0.67   0.02   0.02) =   0.011%
          HN    ALA   91 - HN    GLY   16  28.62 +/- 6.78   0.125% *  3.4366% (0.94   0.02   0.02) =   0.005%
          HE3   TRP   87 - HN    GLY   16  31.53 +/- 8.71   0.076% *  3.2872% (0.90   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 17.2:
        T HN    GLY   16 - HN    GLN   17   2.36 +/- 0.11  99.650% * 99.8536% (1.00 10.00   3.60  17.23) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  22.51 +/- 2.78   0.142% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  26.84 +/- 7.89   0.208% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.498, support = 2.1, residual support = 6.11:
      O   HA    GLU-  15 - HN    GLY   16   2.62 +/- 0.26  75.611% * 75.7686% (0.47  10.0   2.05   5.55) =  95.132%  kept
          HA    GLN   17 - HN    GLY   16   4.93 +/- 0.09  12.361% * 23.6024% (0.97   1.0   3.06  17.23) =   4.845%  kept
          HA    SER   37 - HN    GLY   16  12.00 +/- 4.43   6.473% *  0.1543% (0.97   1.0   0.02   0.02) =   0.017%
          HA    SER   13 - HN    GLY   16   8.73 +/- 0.79   2.637% *  0.0758% (0.47   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    GLY   16  15.44 +/- 4.77   0.995% *  0.1069% (0.67   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    GLY   16  12.63 +/- 4.19   1.159% *  0.0480% (0.30   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  23.49 +/- 5.57   0.244% *  0.1502% (0.94   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLY   16  19.99 +/- 3.35   0.336% *  0.0698% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  26.30 +/- 3.99   0.184% *  0.0240% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.787, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.69 +/- 0.26  40.652% * 12.6997% (0.90   0.02   0.02) =  50.093%  kept
          HA    VAL   70 - HN    GLY   16  10.11 +/- 5.70  28.145% *  6.1679% (0.44   0.02   0.02) =  16.844%  kept
          HA    GLU-  29 - HN    GLY   16  15.64 +/- 3.03  10.552% * 12.3380% (0.87   0.02   0.02) =  12.633%  kept
          HA    LYS+  33 - HN    GLY   16  13.13 +/- 3.05   9.330% * 10.5138% (0.75   0.02   0.02) =   9.518%  kept
          HA    GLN   32 - HN    GLY   16  15.50 +/- 2.86   4.935% *  9.4500% (0.67   0.02   0.02) =   4.525%  kept
          HB2   SER   82 - HN    GLY   16  28.79 +/- 8.47   2.419% * 13.2768% (0.94   0.02   0.02) =   3.116%  kept
          HA    SER   48 - HN    GLY   16  27.02 +/- 6.56   0.933% * 12.6997% (0.90   0.02   0.02) =   1.150%  kept
          HA    GLN  116 - HN    GLY   16  21.61 +/- 3.37   1.593% *  6.1679% (0.44   0.02   0.02) =   0.953%  kept
          HA    ALA   88 - HN    GLY   16  32.27 +/- 7.74   0.726% *  9.9899% (0.71   0.02   0.02) =   0.703%  kept
          HD2   PRO   52 - HN    GLY   16  28.94 +/- 5.25   0.715% *  6.6964% (0.47   0.02   0.02) =   0.464%  kept
    Distance limit 3.55 A violated in 20 structures by 2.55 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.977, support = 5.17, residual support = 81.9:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.01  55.887% * 95.6059% (0.99  10.0   5.27  84.19) =  97.277%  kept
          HA    GLU-  15 - HN    GLN   17   3.40 +/- 0.43  37.246% *  4.0043% (0.49   1.0   1.71   0.02) =   2.715%  kept
          HA    SER   37 - HN    GLN   17  12.75 +/- 3.61   2.273% *  0.0956% (0.99   1.0   0.02   0.02) =   0.004%
          HA    SER   13 - HN    GLN   17   9.26 +/- 1.05   2.104% *  0.0470% (0.49   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    GLN   17  14.77 +/- 4.39   0.744% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLN   17  12.70 +/- 3.59   0.984% *  0.0298% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLN   17  22.15 +/- 5.32   0.197% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  18.72 +/- 3.43   0.397% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  25.06 +/- 3.80   0.166% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.2:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  99.382% * 99.1229% (0.70  10.0 10.00   1.00  84.19) =  99.998%  kept
        T HE21  GLN   17 - HE22  GLN   32  20.37 +/- 5.81   0.223% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HN    LEU  123 - HE22  GLN   17  20.00 +/- 4.52   0.101% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  21.77 +/- 4.60   0.074% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  26.74 +/- 6.42   0.066% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  28.68 +/- 6.81   0.051% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  21.99 +/- 3.61   0.063% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  28.15 +/- 5.47   0.039% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.2:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  99.565% * 99.4952% (0.63  10.0   1.00  84.19) =  99.999%  kept
          HE22  GLN   32 - HE21  GLN   17  20.37 +/- 5.81   0.223% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   17  18.92 +/- 4.09   0.141% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  24.02 +/- 4.01   0.050% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  32.75 +/- 6.42   0.022% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 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 = 0.277, support = 3.33, residual support = 21.4:
      O   HA1   GLY   16 - HN    GLN   17   3.15 +/- 0.09  64.578% * 63.2246% (0.22  10.0   3.26  17.23) =  86.999%  kept
          HA    VAL   18 - HN    GLN   17   4.94 +/- 0.17  17.120% * 35.4030% (0.65   1.0   3.85  49.73) =  12.915%  kept
          HA    VAL   70 - HN    GLN   17   9.70 +/- 5.56   7.940% *  0.2834% (1.00   1.0   0.02   0.02) =   0.048%
          HB2   SER   37 - HN    GLN   17  11.39 +/- 3.48   5.804% *  0.1494% (0.53   1.0   0.02   0.02) =   0.018%
          HA    GLU-  29 - HN    GLN   17  15.11 +/- 3.03   2.514% *  0.1951% (0.69   1.0   0.02   0.02) =   0.010%
          HA    LYS+  33 - HN    GLN   17  13.33 +/- 2.52   1.252% *  0.2372% (0.84   1.0   0.02   0.02) =   0.006%
          HA    GLN  116 - HN    GLN   17  20.79 +/- 3.14   0.279% *  0.2834% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   17  27.52 +/- 8.23   0.316% *  0.1608% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   17  25.66 +/- 6.50   0.195% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.43:
          HA    LEU   73 - HN    ILE   19   6.81 +/- 6.79 100.000% *100.0000% (0.87   2.00   4.43) = 100.000%  kept
    Distance limit 3.74 A violated in 7 structures by 3.61 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.649, support = 4.87, residual support = 22.8:
      O   HA    VAL   18 - HN    ILE   19   2.21 +/- 0.03  90.286% * 90.8774% (0.65  10.0   4.89  22.88) =  99.533%  kept
          HA    VAL   70 - HN    ILE   19   9.65 +/- 4.64   4.463% *  8.5526% (1.00   1.0   1.22   0.16) =   0.463%  kept
          HB2   SER   37 - HN    ILE   19  11.13 +/- 2.44   1.328% *  0.0739% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   19  12.18 +/- 1.69   0.861% *  0.0965% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  12.19 +/- 1.59   0.676% *  0.1173% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.16 +/- 0.59   1.887% *  0.0313% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  19.17 +/- 2.73   0.185% *  0.1402% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  23.40 +/- 8.23   0.168% *  0.0795% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  22.36 +/- 6.10   0.146% *  0.0313% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.74, residual support = 172.6:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.04  95.201% * 99.7071% (0.87  10.0   6.74 172.63) =  99.997%  kept
          HA    THR   26 - HN    ILE   19  11.00 +/- 1.75   2.690% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HA    GLU-  25 - HN    ILE   19  13.80 +/- 1.60   1.252% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  21.23 +/- 4.32   0.317% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  22.33 +/- 2.45   0.239% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  24.48 +/- 7.96   0.301% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.04, residual support = 25.7:
      O   HA    ILE   19 - HN    ALA   20   2.22 +/- 0.03  93.826% * 99.7374% (0.97  10.0   5.04  25.74) =  99.997%  kept
          HA    GLU-  25 - HN    ALA   20  12.01 +/- 2.69   1.860% *  0.0828% (0.80   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    ALA   20   9.20 +/- 2.50   3.967% *  0.0388% (0.38   1.0   0.02   0.14) =   0.002%
          HA    CYS   53 - HN    ALA   20  22.17 +/- 3.13   0.116% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  23.87 +/- 7.24   0.132% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.35 +/- 3.59   0.099% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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   2.87 +/- 0.03  93.517% * 99.9455% (0.97  10.0   3.14  15.22) =  99.996%  kept
          HA    LEU   71 - HN    ALA   20   9.95 +/- 4.68   6.483% *  0.0545% (0.53   1.0   0.02   0.02) =   0.004%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 4.06, residual support = 9.4:
        T HN    LYS+  74 - HN    CYS   21   6.50 +/- 6.25  48.500% * 99.2410% (0.76 10.00   4.06   9.41) =  99.918%  kept
        T HN    LYS+  74 - HN    ILE  119  17.91 +/- 2.78   7.557% *  0.3136% (0.24 10.00   0.02   0.02) =   0.049%
          HN    THR   46 - HN    CYS   21  15.55 +/- 5.53   3.073% *  0.1299% (1.00  1.00   0.02   0.02) =   0.008%
          HN    THR   46 - HN    ILE  119  17.01 +/- 1.75   5.070% *  0.0410% (0.32  1.00   0.02   0.02) =   0.004%
          HN    MET   11 - HN    CYS   21  22.32 +/- 4.64   3.881% *  0.0534% (0.41  1.00   0.02   0.02) =   0.004%
          HN    MET   92 - HN    CYS   21  19.82 +/- 4.82   1.625% *  0.1228% (0.95  1.00   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HN    ILE  119  10.78 +/- 0.86  19.119% *  0.0102% (0.08  1.00   0.02   0.02) =   0.004%
          HN    MET   92 - HN    ILE  119  18.13 +/- 1.29   4.744% *  0.0388% (0.30  1.00   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HN    CYS   21  23.62 +/- 4.00   3.621% *  0.0324% (0.25  1.00   0.02   0.02) =   0.002%
          HN    MET   11 - HN    ILE  119  30.61 +/- 5.15   2.809% *  0.0169% (0.13  1.00   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 5 structures by 2.94 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.47, residual support = 16.6:
      O   HA    ALA   20 - HN    CYS   21   2.22 +/- 0.02  97.653% * 99.8901% (0.95  10.0   3.47  16.64) =  99.999%  kept
          HA    LEU   71 - HN    CYS   21  11.44 +/- 3.78   1.128% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.15 +/- 4.86   0.397% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  19.93 +/- 3.21   0.208% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  15.98 +/- 3.19   0.434% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  20.38 +/- 4.05   0.179% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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   2.77 +/- 0.06  97.205% * 99.8043% (0.83  10.0   3.83  40.99) =  99.998%  kept
          HA    SER  117 - HN    ASP-  62  13.44 +/- 1.88   2.159% *  0.0751% (0.63   1.0   0.02   0.02) =   0.002%
          HB    THR   26 - HN    ASP-  62  19.36 +/- 3.33   0.443% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  23.03 +/- 2.46   0.193% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.522, support = 1.49, residual support = 6.29:
          HA    PHE   59 - HN    ASP-  62   4.00 +/- 0.46  78.170% * 92.4913% (0.52   1.50   6.32) =  99.611%  kept
          HA    ILE   56 - HN    ASP-  62   7.75 +/- 1.06  13.093% *  1.2332% (0.52   0.02   0.02) =   0.222%  kept
          HA    ASP- 113 - HN    ASP-  62  13.29 +/- 1.73   2.764% *  2.0287% (0.86   0.02   0.02) =   0.077%
          HA    LEU  123 - HN    ASP-  62  13.10 +/- 1.46   2.712% *  0.9897% (0.42   0.02   0.02) =   0.037%
          HA    ASN   35 - HN    ASP-  62  19.77 +/- 4.04   1.555% *  1.3153% (0.56   0.02   0.02) =   0.028%
          HA    LYS+  99 - HN    ASP-  62  18.83 +/- 3.20   0.933% *  1.6281% (0.69   0.02   0.02) =   0.021%
          HA    TRP   87 - HN    ASP-  62  22.97 +/- 3.90   0.773% *  0.3137% (0.13   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 0 structures by 0.21 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.33, residual support = 21.6:
          HN    THR   23 - HN    HIS   22   2.85 +/- 0.77  92.103% * 97.2764% (0.69   3.33  21.66) =  99.941%  kept
          HE3   TRP   27 - HN    HIS   22   8.21 +/- 1.07   5.062% *  0.8478% (1.00   0.02   0.02) =   0.048%
          QE    PHE   95 - HN    HIS   22  17.03 +/- 2.51   0.638% *  0.6170% (0.73   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    HIS   22  23.47 +/- 3.56   0.252% *  0.8478% (1.00   0.02   0.02) =   0.002%
          HN    LEU   67 - HN    HIS   22  16.16 +/- 2.06   0.771% *  0.2622% (0.31   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    HIS   22  18.92 +/- 7.35   1.173% *  0.1488% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.91 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 = 6.09:
          HA    ALA   20 - HN    HIS   22   5.07 +/- 0.11  87.717% * 98.9138% (0.95   1.09   6.10) =  99.924%  kept
          HA    LYS+ 102 - HN    HIS   22  22.05 +/- 6.10   5.962% *  0.6572% (0.34   0.02   0.02) =   0.045%
          HA    LEU   71 - HN    HIS   22  13.53 +/- 2.27   6.321% *  0.4290% (0.22   0.02   0.02) =   0.031%
    Distance limit 3.96 A violated in 0 structures by 1.11 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.72, residual support = 13.0:
        T HN    THR   26 - HN    THR   23   4.48 +/- 0.30  84.157% * 98.1814% (0.69 10.00   3.73  13.07) =  99.765%  kept
          HN    LEU   80 - HN    THR   23  15.64 +/- 7.86  11.291% *  1.7020% (0.34  1.00   0.70   0.61) =   0.232%  kept
          HN    ALA   34 - HN    THR   23  13.17 +/- 1.02   3.580% *  0.0356% (0.25  1.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    THR   23  23.40 +/- 3.98   0.972% *  0.0809% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 21.7:
        T HN    HIS   22 - HN    THR   23   2.85 +/- 0.77  93.718% * 99.9047% (0.99 10.00   3.33  21.66) =  99.994%  kept
          HN    ASP-  76 - HN    THR   23  12.00 +/- 6.18   6.282% *  0.0953% (0.95  1.00   0.02   0.02) =   0.006%
    Distance limit 3.56 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 = 0.978, support = 7.86, residual support = 34.0:
        T HN    GLU-  25 - HN    VAL   24   2.73 +/- 0.12  90.142% * 95.5827% (0.98 10.00   7.89  34.13) =  99.545%  kept
          HN    ASN   28 - HN    VAL   24   5.93 +/- 0.21   9.094% *  4.3207% (0.41  1.00   2.16  14.76) =   0.454%  kept
          HN    ASP-  44 - HN    VAL   24  14.52 +/- 2.62   0.764% *  0.0967% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.89, residual support = 34.1:
        T HN    VAL   24 - HN    GLU-  25   2.73 +/- 0.12 100.000% *100.0000% (1.00 10.00   7.89  34.13) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 32.1:
        T HN    THR   26 - HN    GLU-  25   2.81 +/- 0.08  99.625% * 99.9840% (0.97 10.00   5.45  32.09) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.25 +/- 1.36   0.375% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.967, support = 5.4, residual support = 31.4:
        T HN    GLU-  25 - HN    THR   26   2.81 +/- 0.08  74.281% * 93.4013% (0.98 10.00   5.45  32.09) =  97.689%  kept
          HN    ASN   28 - HN    THR   26   4.06 +/- 0.24  25.228% *  6.5042% (0.41  1.00   3.32   0.42) =   2.310%  kept
          HN    ASP-  44 - HN    THR   26  15.85 +/- 2.57   0.491% *  0.0944% (0.99  1.00   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.44 +/- 0.14  97.683% * 98.4546% (0.99   4.45  22.66) =  99.995%  kept
          HN    THR   39 - HN    THR   26  17.04 +/- 2.03   0.379% *  0.2886% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    THR   26  23.05 +/- 7.39   0.397% *  0.2706% (0.61   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  19.46 +/- 3.05   0.273% *  0.3064% (0.69   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  23.67 +/- 4.30   0.187% *  0.3409% (0.76   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.39 +/- 0.64   0.415% *  0.1112% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  25.92 +/- 7.43   0.200% *  0.1674% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.81 +/- 6.29   0.466% *  0.0604% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.922, support = 3.66, residual support = 13.7:
          HN    THR   23 - HN    THR   26   4.48 +/- 0.30  65.669% * 66.8908% (0.97   3.73  13.07) =  91.132%  kept
          HE3   TRP   27 - HN    THR   26   7.74 +/- 0.20  13.075% * 29.2196% (0.49   3.23  22.66) =   7.926%  kept
          HD2   HIS   22 - HN    THR   26   7.60 +/- 1.12  16.366% *  2.7090% (0.45   0.33   0.02) =   0.920%  kept
          QE    PHE   95 - HN    THR   26  18.67 +/- 2.43   1.125% *  0.3515% (0.95   0.02   0.02) =   0.008%
          HN    LEU   67 - HN    THR   26  18.83 +/- 1.97   1.121% *  0.3430% (0.92   0.02   0.02) =   0.008%
          HD1   TRP   49 - HN    THR   26  25.34 +/- 5.06   0.575% *  0.2254% (0.61   0.02   0.02) =   0.003%
          QD    PHE   55 - HN    THR   26  25.26 +/- 3.34   0.505% *  0.2104% (0.57   0.02   0.02) =   0.002%
          HD21  ASN   35 - HN    THR   26  15.86 +/- 1.14   1.564% *  0.0503% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.872, support = 4.45, residual support = 64.3:
          HE3   TRP   27 - HN    TRP   27   5.33 +/- 0.20  30.741% * 70.5743% (1.00   5.33 107.07) =  59.592%  kept
          HN    THR   23 - HN    TRP   27   4.46 +/- 0.38  51.209% * 28.7125% (0.69   3.15   1.24) =  40.386%  kept
          QE    PHE   95 - HN    TRP   27  16.97 +/- 2.42   1.218% *  0.1926% (0.73   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    TRP   27  18.82 +/- 7.39   2.318% *  0.0465% (0.18   0.02   0.02) =   0.003%
          QD    PHE   55 - HN    TRP   27  23.93 +/- 2.86   0.404% *  0.2647% (1.00   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    TRP   27  17.09 +/- 1.93   1.102% *  0.0819% (0.31   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    ALA   91  14.05 +/- 2.63   2.677% *  0.0327% (0.12   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    ALA   91  11.35 +/- 1.20   3.605% *  0.0238% (0.09   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    ALA   91  19.98 +/- 4.09   0.929% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    ALA   91  12.39 +/- 2.19   4.227% *  0.0057% (0.02   0.02   0.02) =   0.001%
          HN    THR   23 - HN    ALA   91  21.36 +/- 4.69   0.854% *  0.0225% (0.08   0.02   0.02) =   0.001%
          HN    LEU   67 - HN    ALA   91  21.69 +/- 3.57   0.714% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.14 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.44 +/- 0.14  99.135% * 99.8587% (0.97 10.00   4.45  22.66) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  23.67 +/- 4.30   0.190% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.59 +/- 1.37   0.514% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.01 +/- 2.86   0.161% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.76, residual support = 32.5:
        T HN    GLN   90 - HN    ALA   91   2.44 +/- 0.48  93.947% * 91.0962% (0.12 10.00   6.76  32.54) =  99.969%  kept
        T HN    GLN   90 - HN    TRP   27  23.29 +/- 4.59   0.247% *  7.3725% (0.95 10.00   0.02   0.02) =   0.021%
          HN    ILE  103 - HN    TRP   27  19.34 +/- 5.44   0.487% *  0.7794% (1.00  1.00   0.02   0.02) =   0.004%
          HN    SER   82 - HN    TRP   27  19.38 +/- 8.06   1.221% *  0.1735% (0.22  1.00   0.02   0.02) =   0.002%
          HN    GLY  109 - HN    ALA   91  11.74 +/- 2.32   1.456% *  0.0507% (0.07  1.00   0.02   0.02) =   0.001%
          HN    GLY  109 - HN    TRP   27  23.67 +/- 2.94   0.175% *  0.4100% (0.53  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  12.34 +/- 1.93   2.249% *  0.0214% (0.03  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    ALA   91  21.94 +/- 3.37   0.218% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.982, support = 5.19, residual support = 50.2:
        T HN    ASN   28 - HN    TRP   27   2.66 +/- 0.12  74.593% * 94.7508% (0.99 10.00   5.23  50.98) =  98.444%  kept
          HN    GLU-  25 - HN    TRP   27   4.04 +/- 0.21  22.184% *  5.0312% (0.38  1.00   2.80   0.59) =   1.555%  kept
        T HN    ASN   28 - HN    ALA   91  22.60 +/- 4.26   0.224% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    TRP   27  13.78 +/- 2.49   0.652% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  18.90 +/- 2.13   0.249% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.63 +/- 2.79   1.596% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  24.51 +/- 3.90   0.266% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  22.63 +/- 4.45   0.235% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.34, residual support = 107.1:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  93.706% * 99.6433% (0.76  10.0   2.34 107.07) =  99.992%  kept
          QD    PHE   59 - HE1   TRP   27  16.36 +/- 4.61   3.669% *  0.0996% (0.76   1.0   0.02   0.02) =   0.004%
          HE21  GLN   30 - HE1   TRP   27   9.56 +/- 1.26   2.350% *  0.1292% (0.99   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HE1   TRP   27  22.12 +/- 4.77   0.276% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.84, residual support = 107.1:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.053% * 99.8818% (0.45  10.0   1.84 107.07) =  99.999%  kept
          HZ    PHE   72 - HE1   TRP   27  14.43 +/- 1.81   0.947% *  0.1182% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.03 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 = 0.941, support = 5.04, residual support = 28.6:
          HN    GLU-  29 - HN    ASN   28   2.81 +/- 0.08  67.574% * 57.2474% (0.98   5.18  32.02) =  78.547%  kept
          HN    GLN   30 - HN    ASN   28   3.92 +/- 0.19  25.575% * 41.1209% (0.80   4.56  16.37) =  21.354%  kept
          HE1   HIS  122 - HN    ASN   28  19.87 +/- 6.65   3.361% *  1.3555% (0.14   0.89   0.02) =   0.093%
          HN    ASP-  86 - HN    ASN   28  22.08 +/- 7.91   0.929% *  0.1955% (0.87   0.02   0.02) =   0.004%
          HN    GLU-  14 - HN    ASN   28  18.23 +/- 3.78   1.915% *  0.0502% (0.22   0.02   0.02) =   0.002%
          HN    VAL   18 - HN    ASN   28  14.55 +/- 1.97   0.646% *  0.0305% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.23, residual support = 51.0:
          HN    TRP   27 - HN    ASN   28   2.66 +/- 0.12  95.554% * 98.6813% (0.99   5.23  50.98) =  99.992%  kept
          HD1   TRP   87 - HN    ASN   28  21.61 +/- 7.44   1.012% *  0.2309% (0.61   0.02   0.02) =   0.002%
          HN    THR   39 - HN    ASN   28  14.68 +/- 1.56   0.683% *  0.2462% (0.65   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    ASN   28  18.39 +/- 3.09   0.485% *  0.2615% (0.69   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   28  22.60 +/- 4.26   0.292% *  0.2909% (0.76   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    ASN   28  12.87 +/- 0.50   0.877% *  0.0949% (0.25   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    ASN   28  24.34 +/- 7.69   0.448% *  0.1429% (0.38   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  17.96 +/- 5.68   0.650% *  0.0515% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.417, support = 5.29, residual support = 50.4:
          HD1   TRP   27 - HN    ASN   28   2.79 +/- 0.36  92.373% * 79.8927% (0.41   5.36  50.98) =  98.364%  kept
          HE21  GLN   30 - HN    ASN   28   7.62 +/- 1.26   6.390% * 19.1402% (0.76   0.69  16.37) =   1.630%  kept
          QD    PHE   59 - HN    ASN   28  18.13 +/- 3.85   0.996% *  0.2980% (0.41   0.02   0.02) =   0.004%
          HH2   TRP   49 - HN    ASN   28  24.69 +/- 4.06   0.241% *  0.6691% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.14 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 = 5.67, residual support = 105.6:
          HD22  ASN   28 - HN    ASN   28   2.16 +/- 0.17  99.467% * 99.9332% (0.92   5.67 105.59) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  12.89 +/- 0.93   0.533% *  0.0668% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 2.94, residual support = 105.6:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.741% * 99.9543% (0.98  10.0   2.94 105.59) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  13.27 +/- 1.48   0.259% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.37, residual support = 3.88:
          HA    GLU-  25 - HD21  ASN   28   4.71 +/- 0.20  81.648% * 96.8430% (1.00   1.38   3.89) =  99.770%  kept
          HA    SER   82 - HD21  ASN   28  19.31 +/- 8.53  10.857% *  0.7985% (0.57   0.02   0.02) =   0.109%  kept
          HA    ILE   19 - HD21  ASN   28  12.88 +/- 1.82   6.192% *  1.3342% (0.95   0.02   0.02) =   0.104%  kept
          HA    CYS   53 - HD21  ASN   28  22.75 +/- 3.92   1.303% *  1.0242% (0.73   0.02   0.02) =   0.017%
    Distance limit 4.42 A violated in 0 structures by 0.27 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 5.9, residual support = 101.3:
      O   HA    ASN   28 - HN    ASN   28   2.70 +/- 0.04  77.178% * 85.4468% (0.84  10.0   5.97 105.59) =  95.922%  kept
          HA    THR   26 - HN    ASN   28   4.28 +/- 0.18  19.846% * 14.1126% (0.65   1.0   4.27   0.42) =   4.074%  kept
          HA    ALA   34 - HN    ASN   28  10.90 +/- 0.89   1.281% *  0.0987% (0.97   1.0   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ASN   28  17.15 +/- 6.14   0.593% *  0.1021% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASN   28  21.83 +/- 4.68   0.440% *  0.0887% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ASN   28  25.42 +/- 4.85   0.187% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.48 +/- 3.84   0.207% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  27.00 +/- 6.84   0.268% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 5.11, residual support = 99.3:
      O   HA    TRP   27 - HN    TRP   27   2.79 +/- 0.04  51.626% * 90.4766% (0.97  10.0   5.29 107.07) =  91.634%  kept
      O   HA    ALA   91 - HN    ALA   91   2.90 +/- 0.03  45.968% *  9.2758% (0.10  10.0   3.16  14.50) =   8.365%  kept
          HA    ALA   91 - HN    TRP   27  21.89 +/- 3.73   0.169% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.18 +/- 3.95   0.164% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  13.03 +/- 3.15   0.939% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  26.85 +/- 3.07   0.073% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.62 +/- 1.24   0.320% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  22.14 +/- 4.33   0.177% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.32 +/- 4.13   0.081% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.47 +/- 3.23   0.483% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.46, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   3.02 +/- 0.21  94.394% * 99.0049% (0.99   4.46  22.66) =  99.993%  kept
          HA    ASP-  62 - HN    TRP   27  18.43 +/- 3.59   0.938% *  0.4327% (0.97   0.02   0.02) =   0.004%
          HA    SER   82 - HN    TRP   27  21.12 +/- 8.32   1.426% *  0.0785% (0.18   0.02   0.02) =   0.001%
          HA    SER  117 - HN    TRP   27  25.48 +/- 5.42   0.320% *  0.3256% (0.73   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  19.30 +/- 2.51   0.443% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.43 +/- 1.92   1.926% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  24.02 +/- 4.42   0.307% *  0.0549% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  22.66 +/- 1.18   0.245% *  0.0402% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.46 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  23.34 +/- 5.94 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.45 A violated in 20 structures by 18.89 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.345, support = 4.65, residual support = 33.5:
      O   HB    THR   26 - HN    THR   26   2.19 +/- 0.18  79.043% * 21.3631% (0.15  10.0   4.16  34.75) =  53.601%  kept
      O   HA    GLU-  25 - HN    THR   26   3.59 +/- 0.03  18.645% * 78.3875% (0.57  10.0   5.23  32.09) =  46.394%  kept
          HA    ILE   19 - HN    THR   26  10.15 +/- 2.05   1.546% *  0.0472% (0.34   1.0   0.02   0.02) =   0.002%
          HA    SER   82 - HN    THR   26  22.20 +/- 8.73   0.463% *  0.1381% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ASP-  62 - HN    THR   26  20.00 +/- 3.84   0.224% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  24.86 +/- 3.22   0.079% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.791, support = 3.07, residual support = 6.4:
          HA    THR   23 - HN    GLU-  25   3.91 +/- 0.42  45.293% * 59.6685% (0.98   2.80   6.40) =  58.347%  kept
          HB    THR   23 - HN    GLU-  25   3.77 +/- 0.63  48.800% * 39.4997% (0.53   3.45   6.40) =  41.616%  kept
          HA    LEU   80 - HN    GLU-  25  17.55 +/- 8.59   4.418% *  0.2990% (0.69   0.02   0.02) =   0.029%
          HA    ASP-  78 - HN    GLU-  25  19.41 +/- 5.42   0.630% *  0.4118% (0.95   0.02   0.02) =   0.006%
          HA    ASP- 105 - HN    GLU-  25  23.37 +/- 6.54   0.859% *  0.1210% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 127.4:
      O   HA    GLU-  25 - HN    GLU-  25   2.72 +/- 0.03  95.236% * 99.7793% (0.87  10.0   5.86 127.37) =  99.996%  kept
          HA    SER   82 - HN    GLU-  25  20.77 +/- 9.30   2.346% *  0.1032% (0.90   1.0   0.02   0.02) =   0.003%
          HA    ILE   19 - HN    GLU-  25  12.17 +/- 2.23   2.183% *  0.0744% (0.65   1.0   0.02   0.02) =   0.002%
          HA    CYS   53 - HN    GLU-  25  24.53 +/- 3.81   0.234% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.711, support = 5.37, residual support = 25.7:
      O   HA    THR   23 - HN    VAL   24   2.32 +/- 0.20  68.282% * 90.8925% (0.73  10.0   5.38  25.78) =  96.957%  kept
          HB    THR   23 - HN    VAL   24   3.79 +/- 0.61  25.171% *  7.3637% (0.22   1.0   5.28  25.78) =   2.896%  kept
          HA    LEU   80 - HN    VAL   24  15.54 +/- 8.95   5.871% *  1.6011% (0.34   1.0   0.75   3.21) =   0.147%  kept
          HA    ASP-  78 - HN    VAL   24  17.16 +/- 5.81   0.381% *  0.1208% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  15.83 +/- 3.78   0.295% *  0.0219% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.766, support = 3.41, residual support = 19.1:
      O   HA    THR   23 - HN    THR   23   2.73 +/- 0.21  68.308% * 36.8104% (0.61  10.0   3.05  19.16) =  59.299%  kept
      O   HB    THR   23 - HN    THR   23   3.69 +/- 0.19  28.420% * 60.5553% (1.00  10.0   3.95  19.16) =  40.586%  kept
          HA    LEU   80 - HN    THR   23  16.64 +/- 8.71   1.872% *  2.5596% (0.95   1.0   0.89   0.61) =   0.113%  kept
          HA    ASP- 105 - HN    THR   23  22.54 +/- 5.86   0.863% *  0.0560% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    THR   23  17.62 +/- 6.45   0.538% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 2.26, residual support = 2.82:
          HA    ALA   20 - HN    THR   23   5.74 +/- 0.63  92.456% * 98.9913% (0.73   2.26   2.82) =  99.917%  kept
          HA    LEU   71 - HN    THR   23  14.54 +/- 2.34   7.544% *  1.0087% (0.84   0.02   0.02) =   0.083%
    Distance limit 4.00 A violated in 14 structures by 1.74 A, kept.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.16, residual support = 13.1:
          HB    THR   26 - HN    THR   23   3.84 +/- 0.30  92.848% * 98.2907% (0.99   2.17  13.07) =  99.958%  kept
          HA    ASP-  62 - HN    THR   23  17.65 +/- 3.79   3.241% *  0.8838% (0.97   0.02   0.02) =   0.031%
          HA    SER   82 - HN    THR   23  20.64 +/- 8.69   3.196% *  0.1604% (0.18   0.02   0.02) =   0.006%
          HA    SER  117 - HN    THR   23  25.63 +/- 5.51   0.715% *  0.6650% (0.73   0.02   0.02) =   0.005%
    Distance limit 3.72 A violated in 0 structures by 0.19 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.94, residual support = 105.6:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  98.361% * 99.7763% (0.98  10.0   2.94 105.59) =  99.999%  kept
          HZ2   TRP   87 - HD22  ASN   28  20.82 +/- 9.13   0.966% *  0.1009% (0.99   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HD22  ASN   28  14.43 +/- 2.76   0.322% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  17.52 +/- 4.02   0.286% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  22.95 +/- 3.53   0.064% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 5.18, residual support = 32.0:
        T HN    ASN   28 - HN    GLU-  29   2.81 +/- 0.08  91.483% * 99.0135% (0.76 10.00   5.18  32.02) =  99.927%  kept
          HN    GLU-  25 - HN    GLU-  29   6.49 +/- 0.30   7.548% *  0.8618% (0.73  1.00   0.18   0.02) =   0.072%
          HN    ASP-  44 - HN    GLU-  29  15.71 +/- 2.25   0.615% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  19.34 +/- 2.57   0.354% *  0.0256% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.25, residual support = 52.4:
        T HN    LEU   31 - HN    GLN   30   2.51 +/- 0.10  97.158% * 98.4622% (0.73 10.00   7.25  52.41) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   30  26.05 +/- 2.75   0.106% *  1.3086% (0.97 10.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   30  18.68 +/- 3.32   0.368% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  26.33 +/- 6.26   0.170% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  14.10 +/- 4.58   1.122% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.50 +/- 2.82   0.119% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  23.11 +/- 7.48   0.432% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.43 +/- 2.65   0.245% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.22 +/- 2.89   0.137% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  24.29 +/- 3.24   0.145% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 44.9:
        T HN    LEU   31 - HN    GLN   32   2.83 +/- 0.18  95.459% * 99.0995% (0.98 10.00   5.84  44.89) =  99.997%  kept
        T HN    PHE   55 - HN    GLN   32  27.31 +/- 3.00   0.134% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   9.02 +/- 0.93   3.457% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  19.98 +/- 3.88   0.620% *  0.0956% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ARG+  54 - HN    GLN   32  26.91 +/- 3.04   0.141% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  27.49 +/- 6.26   0.188% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 44.3:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.667% * 99.4510% (0.87  10.0   1.00  44.29) =  99.999%  kept
          HE22  GLN   17 - HE21  GLN   32  19.94 +/- 5.38   0.200% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  23.53 +/- 5.30   0.080% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  34.71 +/- 5.58   0.020% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  30.69 +/- 5.90   0.034% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 44.3:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  98.318% * 98.9152% (0.83  10.0 10.00   1.00  44.29) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  11.63 +/- 2.83   0.621% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  19.94 +/- 5.38   0.197% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  23.71 +/- 4.87   0.126% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  34.71 +/- 5.58   0.019% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  27.85 +/- 6.26   0.049% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  19.09 +/- 3.79   0.107% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  18.05 +/- 3.22   0.125% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  31.58 +/- 4.08   0.019% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  30.39 +/- 4.29   0.024% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.71 +/- 2.49   0.178% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  23.52 +/- 2.85   0.046% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  27.68 +/- 6.71   0.065% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  23.95 +/- 3.58   0.076% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  27.87 +/- 3.10   0.028% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.899, support = 5.73, residual support = 50.5:
          HN    GLU-  36 - HN    ASN   35   2.48 +/- 0.14  87.442% * 77.0972% (0.90   5.87  52.16) =  96.768%  kept
          HN    THR   39 - HN    ASN   35   5.95 +/- 1.06  10.105% * 22.2372% (0.97   1.57   0.02) =   3.225%  kept
          HN    LYS+ 102 - HN    ASN   35  13.85 +/- 5.64   1.427% *  0.2127% (0.73   0.02   0.02) =   0.004%
          HN    TRP   27 - HN    ASN   35  12.31 +/- 0.72   0.774% *  0.1204% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  25.85 +/- 6.29   0.169% *  0.2871% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  27.13 +/- 3.42   0.083% *  0.0452% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 54.8:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.84) = 100.000%  kept
    Distance limit 2.59 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 = 54.8:
      O   HA    ASN   35 - HN    ASN   35   2.82 +/- 0.04  89.676% * 99.5029% (0.98  10.0   4.55  54.84) =  99.993%  kept
          HA    LYS+  99 - HN    ASN   35  11.71 +/- 4.40   2.748% *  0.0910% (0.90   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    ASN   35   8.90 +/- 1.63   4.079% *  0.0494% (0.49   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    ASN   35  21.37 +/- 6.01   0.732% *  0.1013% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ASN   35  13.37 +/- 2.88   1.326% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  16.52 +/- 3.13   0.850% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  24.60 +/- 3.12   0.167% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  22.37 +/- 3.83   0.273% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  26.86 +/- 3.89   0.148% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.41, residual support = 159.9:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.378% * 99.6989% (0.90  10.0   2.41 159.91) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   7.57 +/- 1.00   1.380% *  0.1102% (0.99   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HE22  GLN   30  15.71 +/- 2.59   0.183% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  23.42 +/- 4.30   0.059% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.41, residual support = 159.9:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.749% * 99.8775% (0.92  10.0 10.00   2.41 159.91) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  15.12 +/- 2.47   0.202% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.42 +/- 3.23   0.049% *  0.0569% (0.53   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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.567, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  13.20 +/- 2.46  15.721% *  6.4793% (0.25   0.02   0.02) =  26.633%  kept
          HA    GLN   90 - HN    GLN   30  24.97 +/- 4.68   3.664% * 25.0767% (0.97   0.02   0.02) =  24.024%  kept
          HA    ALA  110 - HN    GLN   30  25.79 +/- 3.25   1.894% * 25.9267% (1.00   0.02   0.02) =  12.840%  kept
          HA    PHE   55 - HN    GLN   30  26.76 +/- 3.23   2.076% * 21.7040% (0.84   0.02   0.02) =  11.780%  kept
          HA    VAL  107 - HN    GLN   30  22.09 +/- 2.90   3.149% *  8.8635% (0.34   0.02   0.02) =   7.297%  kept
          HA    ALA   91 - HN    GLN   30  23.93 +/- 3.50   3.826% *  5.7850% (0.22   0.02   0.02) =   5.788%  kept
          HA    VAL   42 - HN    LYS+  99   9.23 +/- 2.95  40.619% *  0.4257% (0.02   0.02   0.02) =   4.521%  kept
          HA    VAL  107 - HN    LYS+  99  13.62 +/- 0.94  15.128% *  0.5823% (0.02   0.02   0.02) =   2.303%  kept
          HA    ALA  110 - HN    LYS+  99  20.57 +/- 1.66   4.416% *  1.7034% (0.07   0.02   0.02) =   1.967%  kept
          HA    GLN   90 - HN    LYS+  99  24.21 +/- 3.87   3.926% *  1.6475% (0.06   0.02   0.02) =   1.691%  kept
          HA    PHE   55 - HN    LYS+  99  25.09 +/- 2.54   2.197% *  1.4259% (0.05   0.02   0.02) =   0.819%  kept
          HA    ALA   91 - HN    LYS+  99  22.91 +/- 1.92   3.382% *  0.3801% (0.01   0.02   0.02) =   0.336%  kept
    Distance limit 4.33 A violated in 20 structures by 3.91 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.762, support = 4.8, residual support = 35.6:
          HN    ALA   34 - HN    LYS+  33   2.42 +/- 0.12  53.758% * 77.6968% (0.90   4.57  40.17) =  80.775%  kept
          HN    GLN   32 - HN    LYS+  33   2.58 +/- 0.21  46.102% * 21.5620% (0.20   5.75  16.14) =  19.224%  kept
          HN    LEU   80 - HN    LYS+  33  22.20 +/- 3.71   0.100% *  0.3656% (0.97   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  33  27.88 +/- 2.52   0.039% *  0.3755% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 54.8:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  98.025% * 99.5403% (0.73  10.0   2.00  54.84) =  99.998%  kept
          HN    LEU   67 - HD22  ASN   35  18.00 +/- 5.88   1.618% *  0.0995% (0.73   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HD22  ASN   35  19.95 +/- 2.73   0.080% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  18.96 +/- 4.32   0.165% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.73 +/- 1.85   0.085% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  29.10 +/- 4.22   0.026% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.87, residual support = 52.2:
        T HN    ASN   35 - HN    GLU-  36   2.48 +/- 0.14  98.830% * 99.7986% (0.99 10.00   5.87  52.16) =  99.999%  kept
        T HN    LYS+  99 - HN    GLU-  36  14.60 +/- 4.32   0.802% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLU-  36  18.63 +/- 3.55   0.368% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.426, support = 4.15, residual support = 12.5:
          HN    GLU-  36 - HN    SER   37   2.44 +/- 0.19  72.309% * 30.5201% (0.25   4.44  18.96) =  55.663%  kept
          HN    THR   39 - HN    SER   37   3.81 +/- 0.63  26.028% * 67.5190% (0.65   3.79   4.43) =  44.326%  kept
          HN    TRP   27 - HN    SER   37  14.35 +/- 0.79   0.365% *  0.5460% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  20.30 +/- 3.45   0.266% *  0.3784% (0.69   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    SER   37  14.68 +/- 5.61   0.817% *  0.0746% (0.14   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    SER   37  27.49 +/- 5.90   0.083% *  0.3341% (0.61   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  28.75 +/- 3.37   0.055% *  0.4210% (0.76   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  29.40 +/- 6.98   0.077% *  0.2068% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.912, support = 5.13, residual support = 27.9:
          HN    THR   39 - HN    LYS+  38   2.74 +/- 0.43  67.970% * 80.6507% (0.95   5.43  30.35) =  91.092%  kept
          HN    GLU-  36 - HN    LYS+  38   3.74 +/- 0.30  29.078% * 18.4221% (0.57   2.07   2.46) =   8.901%  kept
          HN    LYS+ 102 - HN    LYS+  38  13.54 +/- 5.71   1.772% *  0.1179% (0.38   0.02   0.02) =   0.003%
          HN    TRP   27 - HN    LYS+  38  15.32 +/- 1.04   0.462% *  0.2402% (0.76   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    LYS+  38  19.96 +/- 3.30   0.399% *  0.1072% (0.34   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    LYS+  38  26.91 +/- 6.08   0.123% *  0.2901% (0.92   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    LYS+  38  28.25 +/- 3.36   0.077% *  0.1292% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  28.70 +/- 7.26   0.119% *  0.0425% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.64, residual support = 49.6:
      O   HA    ASN   35 - HN    GLU-  36   3.59 +/- 0.04  62.060% * 82.1238% (0.38  10.0   4.69  52.16) =  92.427%  kept
          HA    SER   37 - HN    GLU-  36   4.88 +/- 0.18  25.047% * 16.5923% (0.38   1.0   4.04  18.96) =   7.537%  kept
          HA    LEU   40 - HN    GLU-  36   9.69 +/- 1.09   3.815% *  0.2188% (1.00   1.0   0.02   0.02) =   0.015%
          HA    GLU-  15 - HN    GLU-  36  13.17 +/- 3.44   2.159% *  0.2070% (0.95   1.0   0.02   0.02) =   0.008%
          HA    SER   13 - HN    GLU-  36  16.01 +/- 3.29   1.148% *  0.2070% (0.95   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    GLU-  36  12.83 +/- 4.31   2.406% *  0.0546% (0.25   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    GLU-  36  15.19 +/- 3.24   1.544% *  0.0821% (0.38   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU-  36  21.93 +/- 6.06   1.047% *  0.1151% (0.53   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    GLU-  36  23.68 +/- 3.99   0.359% *  0.2112% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  24.86 +/- 1.92   0.200% *  0.0981% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  26.05 +/- 3.41   0.216% *  0.0900% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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   2.86 +/- 0.04  98.053% * 99.7892% (0.69  10.0   6.05  86.28) =  99.999%  kept
          HA    LYS+  66 - HN    GLU-  36  18.63 +/- 3.92   0.677% *  0.0998% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    GLU-  36  23.97 +/- 6.39   1.135% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  27.35 +/- 3.75   0.135% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 4.48, residual support = 29.7:
      O   HA    SER   37 - HN    SER   37   2.90 +/- 0.03  90.016% * 99.4774% (0.97  10.0   4.48  29.70) =  99.992%  kept
          HA    LEU   40 - HN    SER   37   8.41 +/- 0.51   3.832% *  0.0542% (0.53   1.0   0.02   0.71) =   0.002%
          HA    GLU-  15 - HN    SER   37  12.40 +/- 3.51   2.380% *  0.0748% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    SER   37  14.44 +/- 2.99   1.321% *  0.0995% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    SER   37  15.55 +/- 3.05   0.798% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.45 +/- 1.32   1.101% *  0.0462% (0.45   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    SER   37  22.89 +/- 3.73   0.390% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.38 +/- 1.85   0.162% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.0:
      O   HA    GLU-  36 - HN    SER   37   3.45 +/- 0.09  98.715% * 99.6452% (0.34  10.0   4.29  18.96) =  99.997%  kept
          HA    LYS+  66 - HN    SER   37  17.72 +/- 3.06   1.046% *  0.2819% (0.97   1.0   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    SER   37  27.28 +/- 3.86   0.239% *  0.0728% (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 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.727, support = 4.94, residual support = 20.9:
      O   HA    SER   37 - HN    LYS+  38   3.46 +/- 0.07  80.402% * 95.0967% (0.73  10.0   4.96  21.02) =  99.494%  kept
          HA    LEU   40 - HN    LYS+  38   7.24 +/- 0.32   8.913% *  4.2514% (0.84   1.0   0.78   0.82) =   0.493%  kept
          HA    GLU-  15 - HN    LYS+  38  13.03 +/- 3.63   3.854% *  0.1264% (0.97   1.0   0.02   0.02) =   0.006%
          HA    GLN   17 - HN    LYS+  38  14.86 +/- 3.44   2.012% *  0.0951% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    LYS+  38  16.38 +/- 2.96   1.013% *  0.1264% (0.97   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    LYS+  38  22.55 +/- 3.42   0.503% *  0.1239% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  12.67 +/- 1.07   1.834% *  0.0259% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LYS+  38  23.93 +/- 1.65   0.256% *  0.1049% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.32 +/- 6.46   0.894% *  0.0292% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  24.71 +/- 3.21   0.320% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 2.06, residual support = 2.46:
          HA    GLU-  36 - HN    LYS+  38   4.13 +/- 0.47  96.007% * 97.9341% (0.97   2.06   2.46) =  99.981%  kept
          HA    ALA  124 - HN    LYS+  38  22.22 +/- 6.49   1.455% *  0.4788% (0.49   0.02   0.02) =   0.007%
          HA    LYS+  66 - HN    LYS+  38  17.54 +/- 2.83   1.670% *  0.3356% (0.34   0.02   0.02) =   0.006%
          HA    LYS+  81 - HN    LYS+  38  26.95 +/- 4.01   0.430% *  0.8823% (0.90   0.02   0.02) =   0.004%
          HA    ARG+  54 - HN    LYS+  38  26.25 +/- 2.97   0.437% *  0.3692% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 38.7:
      O   HA    THR   39 - HN    THR   39   2.82 +/- 0.09  96.996% * 99.4345% (1.00  10.0   3.93  38.68) =  99.998%  kept
          HA    ILE  103 - HN    THR   39  13.91 +/- 3.71   1.306% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   39  16.79 +/- 0.90   0.482% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  23.37 +/- 2.85   0.222% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  21.61 +/- 2.55   0.261% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  20.17 +/- 3.29   0.321% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  22.90 +/- 2.24   0.211% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  29.99 +/- 2.36   0.087% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  29.19 +/- 5.08   0.114% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 24.7:
      O   HA    THR   39 - HN    LEU   40   2.89 +/- 0.48  94.275% * 99.4345% (1.00  10.0   4.31  24.67) =  99.996%  kept
          HA    ILE  103 - HN    LEU   40  12.53 +/- 3.99   2.543% *  0.0722% (0.73   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    LEU   40  14.07 +/- 0.40   1.005% *  0.0523% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    LEU   40  18.48 +/- 2.34   0.688% *  0.0760% (0.76   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    LEU   40  21.82 +/- 2.74   0.409% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  20.69 +/- 2.34   0.432% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  27.07 +/- 2.06   0.165% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.00 +/- 2.46   0.314% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  27.50 +/- 4.53   0.170% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.14 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 0.994, support = 5.11, residual support = 100.6:
      O   HA    LEU   40 - HN    LEU   40   2.91 +/- 0.04  61.942% * 95.4707% (1.00  10.0   5.14 101.49) =  99.109%  kept
          HA    SER   37 - HN    LEU   40   7.32 +/- 1.70  14.748% *  2.5395% (0.38   1.0   1.42   0.71) =   0.628%  kept
          HA    LYS+  99 - HN    LEU   40   8.87 +/- 6.03   9.945% *  1.5131% (0.25   1.0   1.27   8.53) =   0.252%  kept
          HA    ASN   35 - HN    LEU   40   7.98 +/- 1.49   5.512% *  0.0358% (0.38   1.0   0.02   0.02) =   0.003%
          HA    GLU-  15 - HN    LEU   40  11.96 +/- 4.38   1.884% *  0.0903% (0.95   1.0   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    LEU   40  12.00 +/- 4.68   3.262% *  0.0358% (0.38   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    LEU   40  15.64 +/- 6.74   1.114% *  0.0502% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  17.87 +/- 2.41   0.564% *  0.0921% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LEU   40  16.54 +/- 2.75   0.416% *  0.0903% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HN    LEU   40  19.77 +/- 2.75   0.420% *  0.0392% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  19.94 +/- 0.62   0.194% *  0.0428% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.49, residual support = 73.5:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.02  98.186% * 99.4222% (0.22  10.0   4.49  73.47) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.32 +/- 0.46   0.849% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  20.97 +/- 2.31   0.329% *  0.1676% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    VAL   41  18.06 +/- 3.29   0.636% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 0.995, support = 5.11, residual support = 20.4:
      O   HA    LEU   40 - HN    VAL   41   2.24 +/- 0.03  72.671% * 97.4850% (1.00  10.0   5.13  20.55) =  99.373%  kept
          HA    LYS+  99 - HN    VAL   41   6.49 +/- 5.29  22.314% *  1.9917% (0.25   1.0   1.64   0.02) =   0.623%  kept
          HA    ASN   35 - HN    VAL   41   9.11 +/- 1.38   1.354% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   41  10.20 +/- 1.40   1.136% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   41  14.34 +/- 3.78   0.408% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    VAL   41  17.01 +/- 2.05   0.281% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  13.76 +/- 4.19   0.639% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  16.30 +/- 5.91   0.394% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  17.90 +/- 2.86   0.495% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.99 +/- 2.43   0.144% *  0.0922% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.33 +/- 0.90   0.163% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.4, residual support = 22.8:
        T HN    LEU   98 - HN    VAL   41   5.82 +/- 4.00 100.000% *100.0000% (0.97 10.00   5.40  22.81) = 100.000%  kept
    Distance limit 4.22 A violated in 5 structures by 2.05 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.11, residual support = 4.35:
          HA    PHE   72 - HN    VAL   42   4.77 +/- 2.59 100.000% *100.0000% (0.22   1.11   4.35) = 100.000%  kept
    Distance limit 4.26 A violated in 3 structures by 1.02 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.28, residual support = 24.2:
      O   HA    VAL   41 - HN    VAL   42   2.27 +/- 0.08  98.367% * 99.4222% (0.22  10.0   5.28  24.24) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.69 +/- 0.34   0.961% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   42  17.37 +/- 1.81   0.286% *  0.1676% (0.38   1.0   0.02   0.17) =   0.000%
          HA    THR   23 - HN    VAL   42  15.94 +/- 2.74   0.386% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 86.3:
      O   HA    VAL   42 - HN    VAL   42   2.91 +/- 0.02  92.939% * 99.6568% (0.87  10.0   5.45  86.33) =  99.997%  kept
          HA    SER   37 - HN    VAL   42  12.50 +/- 1.94   2.601% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    VAL   42  13.01 +/- 5.36   2.165% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    VAL   42  19.20 +/- 2.00   0.408% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  19.49 +/- 3.24   0.455% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  17.46 +/- 2.57   0.537% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.80 +/- 0.60   0.895% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 5.0, residual support = 40.1:
      O   HA    VAL   42 - HN    VAL   43   2.24 +/- 0.06  97.129% * 99.7026% (1.00  10.0   5.00  40.09) =  99.998%  kept
          HA    THR   46 - HN    VAL   43  11.15 +/- 0.85   0.863% *  0.0566% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    VAL   43  15.83 +/- 4.91   0.541% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  15.98 +/- 2.02   0.442% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  17.45 +/- 2.07   0.249% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  16.60 +/- 2.81   0.334% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.51 +/- 2.17   0.441% *  0.0249% (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 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.354, support = 2.31, residual support = 3.62:
          HA    LYS+  74 - HN    ASP-  44   5.29 +/- 2.02  63.674% * 56.7246% (0.28   2.67   4.29) =  83.174%  kept
          HA    MET   92 - HN    ASP-  44  11.11 +/- 2.20  17.349% * 33.6237% (0.87   0.51   0.38) =  13.433%  kept
          HA    VAL   41 - HN    ASP-  44   8.13 +/- 0.39  16.419% *  8.8480% (0.20   0.59   0.02) =   3.345%  kept
          HA    HIS  122 - HN    ASP-  44  16.72 +/- 3.85   2.558% *  0.8038% (0.53   0.02   0.02) =   0.047%
    Distance limit 3.77 A violated in 4 structures by 1.08 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.89, residual support = 16.4:
      O   HA    VAL   43 - HN    ASP-  44   2.22 +/- 0.04  97.627% * 99.8182% (0.87  10.0   3.89  16.39) =  99.999%  kept
          HA    LEU   71 - HN    ASP-  44  10.33 +/- 1.74   1.308% *  0.0560% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   69 - HN    ASP-  44  14.30 +/- 2.14   0.519% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  14.24 +/- 2.79   0.547% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.83, residual support = 39.7:
      O   HA    ASP-  44 - HN    ASP-  44   2.88 +/- 0.06  92.027% * 98.9185% (0.49  10.0   3.83  39.73) =  99.991%  kept
          HB    THR   77 - HN    ASP-  44   9.50 +/- 1.38   3.727% *  0.0835% (0.41   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HN    ASP-  44  17.00 +/- 4.21   0.758% *  0.2028% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    ASP-  44  15.24 +/- 1.74   0.752% *  0.1396% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  20.29 +/- 4.07   0.434% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  44  12.73 +/- 1.75   1.293% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  17.06 +/- 3.55   0.639% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  24.69 +/- 3.93   0.216% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  26.55 +/- 3.55   0.153% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.43, residual support = 27.7:
        T HN    THR   94 - HN    PHE   45   2.85 +/- 0.81  96.488% * 99.8815% (0.84 10.00   3.43  27.69) =  99.996%  kept
          HN    GLU-  79 - HN    PHE   45  10.86 +/- 1.58   3.512% *  0.1185% (0.99  1.00   0.02   0.02) =   0.004%
    Distance limit 4.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.67, residual support = 79.8:
          QD    PHE   45 - HN    PHE   45   2.35 +/- 0.78  98.109% * 98.5542% (0.53   5.67  79.82) =  99.989%  kept
          HD2   HIS  122 - HN    PHE   45  14.53 +/- 2.85   1.009% *  0.6374% (0.97   0.02   0.02) =   0.007%
          HE22  GLN  116 - HN    PHE   45  16.90 +/- 2.03   0.582% *  0.6248% (0.95   0.02   0.02) =   0.004%
          HE22  GLN   17 - HN    PHE   45  21.20 +/- 3.89   0.299% *  0.1836% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   4.47 +/- 1.30 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.65 A violated in 4 structures by 0.45 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.95, residual support = 79.8:
      O   HA    PHE   45 - HN    PHE   45   2.92 +/- 0.02  96.221% * 99.9134% (0.99  10.0   3.95  79.82) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.72 +/- 0.54   1.524% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  11.60 +/- 1.35   1.725% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  18.10 +/- 3.19   0.530% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.06, residual support = 18.4:
      O   HA    ASP-  44 - HN    PHE   45   2.31 +/- 0.07  90.401% * 97.4170% (1.00  10.0   4.07  18.44) =  99.908%  kept
          HB    THR   77 - HN    PHE   45   8.00 +/- 1.98   3.913% *  2.0020% (0.99   1.0   0.41  10.03) =   0.089%
          HA    ILE  103 - HN    PHE   45  13.70 +/- 1.79   0.659% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    PHE   45  15.02 +/- 3.21   0.511% *  0.0966% (0.99   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    PHE   45  12.91 +/- 1.82   0.649% *  0.0591% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  15.23 +/- 3.75   0.814% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.24 +/- 2.23   2.057% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  13.98 +/- 1.54   0.497% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.32 +/- 0.66   0.188% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  23.73 +/- 4.30   0.164% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.80 +/- 4.24   0.060% *  0.0972% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.95 +/- 4.39   0.088% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.222, support = 4.38, residual support = 12.4:
          QD    PHE   45 - HN    THR   46   4.42 +/- 0.43  89.627% * 91.4538% (0.22   4.39  12.42) =  99.823%  kept
          HE22  GLN   17 - HN    THR   46  22.09 +/- 4.99   1.551% *  4.2617% (0.61   0.08   0.02) =   0.081%
          HD2   HIS  122 - HN    THR   46  17.53 +/- 2.50   1.955% *  1.7714% (0.95   0.02   0.02) =   0.042%
          HE22  GLN  116 - HN    THR   46  19.14 +/- 2.55   1.581% *  1.8072% (0.97   0.02   0.02) =   0.035%
          HE22  GLN   90 - HN    THR   46  13.48 +/- 2.70   4.527% *  0.2889% (0.15   0.02   0.02) =   0.016%
          HE22  GLN   32 - HN    THR   46  25.29 +/- 4.02   0.757% *  0.4169% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.59 A violated in 0 structures by 0.08 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.71, residual support = 3.69:
          HA    ASP-  76 - HN    THR   46   6.44 +/- 4.04  80.291% * 98.7992% (0.53   2.71   3.71) =  99.703%  kept
          HA    LEU   67 - HN    THR   46  15.98 +/- 2.91  19.709% *  1.2008% (0.87   0.02   0.02) =   0.297%  kept
    Distance limit 4.10 A violated in 11 structures by 2.61 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   2.28 +/- 0.07  97.072% * 99.9017% (0.76  10.0   3.96  12.42) =  99.999%  kept
          HA    ASP-  78 - HN    THR   46   9.30 +/- 2.51   2.243% *  0.0491% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    THR   46  14.38 +/- 0.72   0.395% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  17.38 +/- 4.09   0.290% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.2:
      O   HA    THR   46 - HN    THR   46   2.91 +/- 0.04  89.550% * 99.4016% (0.57  10.0   3.25  34.24) =  99.991%  kept
          HA    GLN   90 - HN    THR   46   9.29 +/- 2.37   5.812% *  0.0599% (0.34   1.0   0.02   0.02) =   0.004%
          HA    VAL   42 - HN    THR   46  11.63 +/- 0.56   1.435% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    THR   46  13.58 +/- 1.54   1.018% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  12.56 +/- 2.58   1.543% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  20.26 +/- 6.23   0.447% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  23.81 +/- 2.24   0.195% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.39, residual support = 10.8:
          HN    THR   77 - HN    THR   46   5.60 +/- 3.66 100.000% *100.0000% (1.00   3.39  10.84) = 100.000%  kept
    Distance limit 4.77 A violated in 7 structures by 1.79 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.894, support = 2.3, residual support = 10.7:
      O   HA    ALA   47 - HN    ALA   47   2.91 +/- 0.05  58.960% * 96.8065% (0.90  10.0   2.32  10.81) =  98.369%  kept
          HA    CYS   50 - HN    ALA   47   4.48 +/- 1.59  31.981% *  2.9393% (0.73   1.0   0.75   6.96) =   1.620%  kept
          HA    VAL  108 - HN    ALA   47  11.50 +/- 2.39   3.743% *  0.0864% (0.80   1.0   0.02   0.02) =   0.006%
          HA    TRP   49 - HN    ALA   47   7.19 +/- 0.46   3.958% *  0.0568% (0.53   1.0   0.02  16.17) =   0.004%
          HA1   GLY  109 - HN    ALA   47  12.74 +/- 2.39   1.060% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  19.80 +/- 4.28   0.298% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 11.6:
      O   HA    THR   46 - HN    ALA   47   2.32 +/- 0.10  94.267% * 99.4016% (0.57  10.0   3.07  11.64) =  99.996%  kept
          HA    GLN   90 - HN    ALA   47   9.25 +/- 1.76   2.897% *  0.0599% (0.34   1.0   0.02   0.02) =   0.002%
          HA    PHE   55 - HN    ALA   47  10.88 +/- 1.21   1.060% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  14.69 +/- 1.29   0.394% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  11.45 +/- 2.16   1.162% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  22.58 +/- 5.99   0.154% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  27.08 +/- 2.27   0.066% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.831, support = 4.12, residual support = 14.2:
        T HN    TRP   49 - HN    SER   48   2.53 +/- 0.13  77.339% * 93.6470% (0.84 10.00   4.16  14.47) =  98.139%  kept
          HN    CYS   50 - HN    SER   48   3.95 +/- 0.28  21.853% *  6.2847% (0.61  1.00   1.85   0.02) =   1.861%  kept
          HN    VAL   83 - HN    SER   48  14.53 +/- 3.32   0.674% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  22.18 +/- 3.10   0.134% *  0.0461% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 2.23, residual support = 6.32:
      O   HA    ALA   47 - HN    SER   48   2.30 +/- 0.09  83.604% * 88.2464% (0.90  10.0   2.22   6.26) =  98.906%  kept
          HA    TRP   49 - HN    SER   48   5.09 +/- 0.13   7.752% *  8.1019% (0.53   1.0   3.13  14.47) =   0.842%  kept
          HA    CYS   50 - HN    SER   48   6.00 +/- 0.59   5.349% *  3.4717% (0.73   1.0   0.97   0.02) =   0.249%  kept
          HA    VAL  108 - HN    SER   48  14.01 +/- 2.98   1.518% *  0.0788% (0.80   1.0   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    SER   48  14.97 +/- 3.31   1.600% *  0.0676% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    SER   48  21.42 +/- 5.33   0.178% *  0.0336% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 4.86, residual support = 86.0:
          HD1   TRP   49 - HN    TRP   49   2.61 +/- 0.53  95.062% * 98.2735% (0.92   4.86  86.03) =  99.986%  kept
          QE    PHE   95 - HN    TRP   49  11.97 +/- 1.56   1.828% *  0.2837% (0.65   0.02   0.02) =   0.006%
          HN    LEU   67 - HN    TRP   49  19.78 +/- 4.26   0.868% *  0.4298% (0.98   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    TRP   49  12.13 +/- 0.78   1.251% *  0.1093% (0.25   0.02   0.02) =   0.001%
          HD2   HIS   22 - HN    TRP   49  24.02 +/- 5.83   0.279% *  0.3511% (0.80   0.02   0.02) =   0.001%
          HN    THR   23 - HN    TRP   49  22.44 +/- 5.11   0.297% *  0.3012% (0.69   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    TRP   49  21.19 +/- 2.99   0.277% *  0.0868% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  28.58 +/- 4.20   0.137% *  0.1646% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.16, residual support = 14.5:
        T HN    SER   48 - HN    TRP   49   2.53 +/- 0.13 100.000% *100.0000% (0.84 10.00   4.16  14.47) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.942, support = 2.12, residual support = 6.5:
      O   HA    CYS   50 - HN    CYS   50   2.50 +/- 0.32  57.823% * 50.8345% (0.98  10.0   1.90   7.57) =  67.383%  kept
      O   HA    TRP   49 - HN    CYS   50   3.28 +/- 0.18  29.711% * 47.2345% (0.87  10.0   2.58   4.26) =  32.171%  kept
          HA    ALA   47 - HN    CYS   50   4.39 +/- 0.48  10.764% *  1.7980% (0.57   1.0   1.17   6.96) =   0.444%  kept
          HA1   GLY  109 - HN    CYS   50  14.62 +/- 3.46   0.612% *  0.0526% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    CYS   50  14.19 +/- 3.60   0.853% *  0.0244% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  22.53 +/- 4.66   0.121% *  0.0374% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  26.14 +/- 4.65   0.116% *  0.0186% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.858, support = 4.54, residual support = 79.2:
      O   HA    TRP   49 - HN    TRP   49   2.91 +/- 0.02  53.452% * 79.2095% (0.87  10.0   4.70  86.03) =  90.905%  kept
          HA    ALA   47 - HN    TRP   49   3.69 +/- 0.29  27.627% *  8.0574% (0.57   1.0   3.12  16.17) =   4.779%  kept
          HA    CYS   50 - HN    TRP   49   4.44 +/- 0.31  16.050% * 12.5102% (0.98   1.0   2.80   4.26) =   4.311%  kept
          HA1   GLY  109 - HN    TRP   49  15.22 +/- 3.65   1.338% *  0.0881% (0.97   1.0   0.02   0.02) =   0.003%
          HA    VAL  108 - HN    TRP   49  14.68 +/- 3.49   1.143% *  0.0409% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    TRP   49  22.51 +/- 5.19   0.179% *  0.0627% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  25.95 +/- 5.18   0.210% *  0.0311% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.29, residual support = 86.0:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  96.024% * 99.6863% (0.92  10.0   2.29  86.03) =  99.998%  kept
          QE    PHE   95 - HE1   TRP   49  11.77 +/- 2.11   2.559% *  0.0240% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HE1   TRP   49  20.17 +/- 5.45   0.685% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  23.91 +/- 6.51   0.291% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  27.95 +/- 4.49   0.112% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  22.30 +/- 5.88   0.331% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 1.37, residual support = 1.35:
      O   HA    CYS   50 - HN    GLY   51   3.14 +/- 0.41  70.870% * 95.0782% (0.98  10.0   1.38   1.37) =  98.786%  kept
          HA    TRP   49 - HN    GLY   51   5.33 +/- 0.76  18.191% *  4.4992% (0.87   1.0   0.74   0.02) =   1.200%  kept
          HA    ALA   47 - HN    GLY   51   7.21 +/- 1.13   7.034% *  0.0795% (0.57   1.0   0.02   0.02) =   0.008%
          HA1   GLY  109 - HN    GLY   51  14.27 +/- 3.12   1.667% *  0.1356% (0.97   1.0   0.02   0.02) =   0.003%
          HA    VAL  108 - HN    GLY   51  14.47 +/- 3.47   1.838% *  0.0630% (0.45   1.0   0.02   0.02) =   0.002%
          HA    CYS   21 - HN    GLY   51  24.02 +/- 4.07   0.245% *  0.0965% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  27.66 +/- 4.16   0.154% *  0.0479% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.7, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.67 +/- 0.26  93.733% * 99.5416% (0.92  10.0   2.70  10.20) =  99.996%  kept
          HA    ALA   57 - HN    GLY   51  10.00 +/- 1.21   2.138% *  0.1069% (0.99   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    GLY   51  18.03 +/- 4.30   0.638% *  0.0824% (0.76   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    GLY   51  13.10 +/- 3.28   1.423% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  13.73 +/- 1.40   0.816% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.92 +/- 3.35   0.489% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.23 +/- 3.99   0.270% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  20.68 +/- 2.52   0.317% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  28.04 +/- 2.16   0.098% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  36.14 +/- 6.26   0.079% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.18, residual support = 31.7:
        T HN    ARG+  54 - HN    CYS   53   2.58 +/- 0.13  98.698% * 99.1159% (0.98 10.00   6.18  31.69) =  99.992%  kept
        T HN    ASP-  62 - HN    CYS   53  12.47 +/- 1.50   1.092% *  0.7343% (0.73 10.00   0.02   0.02) =   0.008%
          HN    LEU   31 - HN    CYS   53  25.10 +/- 2.73   0.122% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  28.24 +/- 2.90   0.088% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.18, residual support = 31.7:
        T HN    CYS   53 - HN    ARG+  54   2.58 +/- 0.13  97.130% * 99.6035% (0.85 10.00   6.18  31.69) =  99.997%  kept
        T HN    CYS   53 - HN    ASP-  62  12.47 +/- 1.50   1.075% *  0.1864% (0.16 10.00   0.02   0.02) =   0.002%
          HN    LEU   80 - HN    ARG+  54  18.06 +/- 2.79   0.363% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  18.45 +/- 3.22   0.561% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.14 +/- 2.49   0.102% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  25.58 +/- 3.80   0.146% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  18.15 +/- 1.79   0.316% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  19.97 +/- 3.51   0.307% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 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  18.34 +/- 2.52  17.658% * 29.7440% (0.69   0.02   0.02) =  39.903%  kept
          HD21  ASN   69 - HN    ARG+  54  22.25 +/- 3.60   8.904% * 31.3037% (0.72   0.02   0.02) =  21.175%  kept
          HD21  ASN   69 - HN    ASP-  62  14.05 +/- 2.44  33.570% *  5.8573% (0.14   0.02   0.02) =  14.939%  kept
          HN    GLN   17 - HN    ARG+  54  24.79 +/- 4.60   6.988% * 23.1904% (0.54   0.02   0.02) =  12.312%  kept
          HN    GLN   17 - HN    ASP-  62  16.08 +/- 3.17  23.950% *  4.3392% (0.10   0.02   0.02) =   7.895%  kept
          HN    TRP   87 - HN    ASP-  62  21.91 +/- 2.89   8.930% *  5.5654% (0.13   0.02   0.02) =   3.776%  kept
    Distance limit 3.93 A violated in 20 structures by 8.38 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 3.9, residual support = 20.1:
          HN    PHE   55 - HN    ILE   56   2.68 +/- 0.23  90.764% * 94.1385% (0.95   3.90  20.17) =  99.831%  kept
          HN    ASP-  62 - HN    ILE   56   8.83 +/- 0.74   2.751% *  5.1726% (0.31   0.66   0.02) =   0.166%  kept
          HN    ALA   88 - HN    ILE   56  19.13 +/- 2.52   0.315% *  0.4423% (0.87   0.02   0.02) =   0.002%
          HN    ALA   88 - HZ2   TRP   87   8.57 +/- 0.69   3.031% *  0.0192% (0.04   0.02   5.21) =   0.001%
          HN    LEU   31 - HN    ILE   56  23.42 +/- 2.72   0.178% *  0.1914% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  22.35 +/- 9.16   2.349% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.57 +/- 3.47   0.387% *  0.0209% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  22.49 +/- 4.23   0.224% *  0.0068% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 4.94, residual support = 31.0:
          HN    ALA   57 - HN    ILE   56   2.39 +/- 0.34  95.563% * 91.0420% (0.87   4.95  31.07) =  99.768%  kept
          HE21  GLN  116 - HN    ILE   56  11.82 +/- 2.82   2.387% *  8.3488% (0.80   0.49   0.02) =   0.228%  kept
          HE21  GLN   90 - HN    ILE   56  17.42 +/- 3.09   0.465% *  0.3802% (0.90   0.02   0.02) =   0.002%
          HN    ALA  120 - HN    ILE   56  13.52 +/- 1.41   0.743% *  0.1743% (0.41   0.02   0.02) =   0.001%
          HE21  GLN   90 - HZ2   TRP   87  14.92 +/- 1.54   0.452% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  21.87 +/- 3.31   0.173% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  26.73 +/- 4.49   0.104% *  0.0147% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  26.67 +/- 5.24   0.113% *  0.0076% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.16, support = 4.97, residual support = 121.3:
      O   HA    ILE   56 - HN    ILE   56   2.92 +/- 0.02  82.467% * 87.7423% (0.15  10.0   5.01 122.27) =  99.209%  kept
          HA    PRO   58 - HN    ILE   56   7.03 +/- 0.40   6.096% *  9.0034% (0.95   1.0   0.33   0.02) =   0.753%  kept
          HA    THR   46 - HN    ILE   56   8.63 +/- 1.58   4.129% *  0.4554% (0.80   1.0   0.02   0.02) =   0.026%
          HA    LEU   40 - HN    ILE   56  20.12 +/- 2.79   0.489% *  0.4750% (0.84   1.0   0.02   0.02) =   0.003%
          HA    GLU-  15 - HN    ILE   56  25.35 +/- 3.98   0.334% *  0.5488% (0.97   1.0   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    ILE   56  21.85 +/- 4.21   0.291% *  0.4129% (0.73   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    ILE   56  15.15 +/- 2.26   1.053% *  0.1125% (0.20   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    ILE   56  29.38 +/- 4.14   0.129% *  0.5488% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  27.16 +/- 3.75   0.164% *  0.4129% (0.73   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  17.44 +/- 2.05   0.506% *  0.1266% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HZ2   TRP   87  22.44 +/- 7.74   0.785% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  15.84 +/- 3.01   0.718% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  17.51 +/- 6.91   1.521% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  29.88 +/- 9.01   0.224% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  23.73 +/- 3.78   0.194% *  0.0233% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  28.01 +/- 8.30   0.235% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  28.44 +/- 8.71   0.187% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  33.65 +/- 8.84   0.128% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  21.77 +/- 3.41   0.247% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  30.70 +/- 5.38   0.102% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.94, residual support = 31.0:
          HN    ILE   56 - HN    ALA   57   2.39 +/- 0.34  95.839% * 87.4265% (0.98   4.95  31.07) =  99.813%  kept
          HN    LYS+ 111 - HN    ALA   57  11.24 +/- 2.00   1.281% * 11.5682% (0.90   0.72   0.02) =   0.177%  kept
          HN    LEU   63 - HN    ALA   57   9.01 +/- 0.72   2.228% *  0.3325% (0.92   0.02   0.02) =   0.009%
          HN    ALA   84 - HN    ALA   57  20.10 +/- 1.75   0.188% *  0.3231% (0.90   0.02   0.02) =   0.001%
          HD21  ASN   28 - HN    ALA   57  22.39 +/- 4.28   0.211% *  0.1112% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  28.98 +/- 4.53   0.079% *  0.1753% (0.49   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  21.87 +/- 3.31   0.174% *  0.0631% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.29, residual support = 20.0:
        T HN    PHE   60 - HN    PHE   59   2.76 +/- 0.22  89.109% * 97.7864% (0.47 10.00   4.29  19.98) =  99.959%  kept
        T HN    THR  118 - HN    PHE   59   9.03 +/- 1.34   4.934% *  0.6051% (0.29 10.00   0.02  12.65) =   0.034%
        T HN    GLU-  15 - HN    PHE   59  22.08 +/- 2.61   0.286% *  1.5803% (0.76 10.00   0.02   0.02) =   0.005%
          HN    GLN  116 - HN    PHE   59   7.44 +/- 0.78   5.670% *  0.0282% (0.14  1.00   0.02   0.50) =   0.002%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.272, support = 4.66, residual support = 55.0:
      O   HA    PHE   59 - HN    PHE   59   2.79 +/- 0.10  61.216% * 86.5269% (0.24  10.0   4.96  57.85) =  92.454%  kept
          HA    ILE   56 - HN    PHE   59   3.83 +/- 1.17  34.788% * 12.4050% (0.69   1.0   0.99  20.27) =   7.532%  kept
          HA    ASP- 113 - HN    PHE   59   9.87 +/- 1.30   1.825% *  0.2514% (0.69   1.0   0.02   0.02) =   0.008%
          HA    LEU  123 - HN    PHE   59  12.82 +/- 1.47   0.727% *  0.2245% (0.62   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    PHE   59  16.63 +/- 2.71   1.087% *  0.0555% (0.15   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    PHE   59  19.94 +/- 2.43   0.189% *  0.2779% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   59  22.06 +/- 3.46   0.168% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 24.1:
      O   HA    ALA   57 - HN    ALA   57   2.75 +/- 0.23  93.423% * 99.2309% (0.76  10.0   4.45  24.13) =  99.993%  kept
          HA1   GLY   51 - HN    ALA   57   9.59 +/- 0.62   2.473% *  0.1273% (0.98   1.0   0.02   0.02) =   0.003%
          HA    ASP-  44 - HN    ALA   57  10.69 +/- 1.34   1.961% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   57  14.56 +/- 2.78   0.964% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   57  19.82 +/- 3.13   0.329% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.79 +/- 2.43   0.313% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  22.90 +/- 2.33   0.212% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.00 +/- 2.57   0.231% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.61 +/- 5.68   0.095% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.975, support = 4.54, residual support = 30.9:
      O   HA    ILE   56 - HN    ALA   57   3.14 +/- 0.15  75.509% * 90.7694% (0.99  10.0   4.52  31.07) =  97.589%  kept
          HA    PRO   58 - HN    ALA   57   5.01 +/- 0.31  19.174% *  8.8143% (0.34   1.0   5.64  25.53) =   2.406%  kept
          HA    ASP- 113 - HN    ALA   57  11.06 +/- 1.88   2.904% *  0.0518% (0.57   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    ALA   57  16.35 +/- 2.17   0.847% *  0.0914% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ALA   57  19.56 +/- 2.57   0.555% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.32 +/- 2.52   0.251% *  0.0821% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  24.78 +/- 3.41   0.194% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  24.06 +/- 3.69   0.409% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  28.04 +/- 3.97   0.156% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 5.24, residual support = 41.6:
        T HN    PHE   60 - HN    ALA   61   2.72 +/- 0.23  94.284% * 97.7864% (0.61 10.00   5.24  41.63) =  99.971%  kept
        T HN    THR  118 - HN    ALA   61  11.44 +/- 1.70   3.246% *  0.6051% (0.38 10.00   0.02   0.02) =   0.021%
        T HN    GLU-  15 - HN    ALA   61  19.97 +/- 3.00   0.438% *  1.5803% (0.98 10.00   0.02   0.02) =   0.008%
          HN    GLN  116 - HN    ALA   61  10.54 +/- 1.27   2.033% *  0.0282% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.57 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 = 0.549, support = 4.37, residual support = 32.9:
          QD    PHE   60 - HN    ALA   61   3.09 +/- 0.74  60.620% * 49.5226% (0.57   4.77  41.63) =  78.833%  kept
          HN    PHE   59 - HN    ALA   61   4.41 +/- 0.38  26.951% * 23.9730% (0.41   3.18   0.52) =  16.966%  kept
          QE    PHE   59 - HN    ALA   61   7.01 +/- 0.87   6.059% * 26.0531% (0.80   1.77   0.52) =   4.145%  kept
          HN    LYS+  66 - HN    ALA   61   7.79 +/- 0.93   5.867% *  0.3598% (0.98   0.02   0.02) =   0.055%
          HN    LYS+  81 - HN    ALA   61  19.26 +/- 2.53   0.503% *  0.0915% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.916, support = 0.881, residual support = 0.791:
          HA    PRO   58 - HN    ALA   61   4.21 +/- 0.91  55.857% * 64.2472% (0.97   0.92   0.81) =  90.694%  kept
          HA    THR   46 - HN    ALA   61   9.25 +/- 2.52  12.376% * 19.7763% (0.45   0.61   0.27) =   6.186%  kept
          HA    ILE   56 - HN    ALA   61   6.97 +/- 0.98  18.099% *  5.8059% (0.41   0.20   1.41) =   2.656%  kept
          HA    GLN   17 - HN    ALA   61  15.56 +/- 4.43   1.923% *  3.8044% (0.38   0.14   0.02) =   0.185%  kept
          HA    LEU   40 - HN    ALA   61  15.06 +/- 2.47   3.274% *  1.4410% (1.00   0.02   0.02) =   0.119%  kept
          HA    LEU  123 - HN    ALA   61  14.37 +/- 1.85   4.034% *  0.7581% (0.53   0.02   0.02) =   0.077%
          HA    GLU-  15 - HN    ALA   61  19.21 +/- 3.08   0.879% *  1.3631% (0.95   0.02   0.02) =   0.030%
          HA    SER   13 - HN    ALA   61  23.27 +/- 3.10   0.466% *  1.3631% (0.95   0.02   0.02) =   0.016%
          HA    SER   37 - HN    ALA   61  21.06 +/- 3.84   1.065% *  0.5408% (0.38   0.02   0.02) =   0.015%
          HA    ASN   35 - HN    ALA   61  19.81 +/- 3.66   1.006% *  0.5408% (0.38   0.02   0.02) =   0.014%
          HA    LYS+  99 - HN    ALA   61  18.54 +/- 2.79   1.022% *  0.3593% (0.25   0.02   0.02) =   0.009%
    Distance limit 4.05 A violated in 1 structures by 0.33 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.512, support = 1.39, residual support = 0.889:
          HA    ALA   57 - HN    ALA   61   4.43 +/- 1.75  59.301% * 45.3520% (0.41   1.58   1.08) =  77.465%  kept
          HA    ASP-  44 - HN    ALA   61   7.83 +/- 1.23  16.705% * 45.3205% (0.87   0.75   0.23) =  21.807%  kept
          HB    THR   77 - HN    ALA   61  12.99 +/- 2.20   5.706% *  1.2861% (0.92   0.02   0.02) =   0.211%  kept
          HA1   GLY   51 - HN    ALA   61  13.83 +/- 1.73   4.581% *  1.0117% (0.73   0.02   0.02) =   0.133%  kept
          HA    THR   39 - HN    ALA   61  18.06 +/- 2.44   3.371% *  1.1637% (0.84   0.02   0.02) =   0.113%  kept
          HA    GLU-  79 - HN    ALA   61  17.14 +/- 2.46   3.034% *  1.2495% (0.90   0.02   0.02) =   0.109%  kept
          HA    ILE  103 - HN    ALA   61  18.02 +/- 2.08   1.907% *  1.3657% (0.98   0.02   0.02) =   0.075%
          HA    SER   85 - HN    ALA   61  21.86 +/- 2.58   0.858% *  1.2861% (0.92   0.02   0.02) =   0.032%
          HA    MET   11 - HN    ALA   61  27.08 +/- 4.59   0.820% *  1.1637% (0.84   0.02   0.02) =   0.027%
          HA    GLU-  14 - HN    ALA   61  21.12 +/- 2.79   2.045% *  0.2150% (0.15   0.02   0.02) =   0.013%
          HA    ALA   12 - HN    ALA   61  25.25 +/- 3.30   0.867% *  0.3102% (0.22   0.02   0.02) =   0.008%
          HA    ASP-  86 - HN    ALA   61  22.20 +/- 3.30   0.804% *  0.2757% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.58 A violated in 5 structures by 0.58 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.3:
        T HN    ASP-  62 - HN    LEU   63   2.62 +/- 0.17  96.380% * 99.7221% (0.98 10.00   5.85  42.28) =  99.997%  kept
          HN    LEU   31 - HN    LEU   63  16.62 +/- 3.43   1.214% *  0.0962% (0.95  1.00   0.02   0.27) =   0.001%
          HN    ARG+  54 - HN    LEU   63  12.62 +/- 0.89   0.942% *  0.0939% (0.92  1.00   0.02   0.02) =   0.001%
          HN    PHE   55 - HN    LEU   63  12.31 +/- 0.66   0.969% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  17.95 +/- 2.81   0.495% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.85, residual support = 54.6:
        T HN    ALA   64 - HN    LEU   63   2.68 +/- 0.19 100.000% *100.0000% (0.97 10.00   6.85  54.61) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.84, residual support = 29.3:
        T HN    LYS+  65 - HN    ALA   64   2.68 +/- 0.16 100.000% *100.0000% (0.97 10.00   4.84  29.29) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.85, residual support = 54.6:
          HN    LEU   63 - HN    ALA   64   2.68 +/- 0.19  96.509% * 99.0084% (0.99   6.85  54.61) =  99.993%  kept
          HN    ILE   56 - HN    ALA   64  11.73 +/- 0.76   1.214% *  0.2759% (0.95   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    ALA   64  16.58 +/- 3.32   0.688% *  0.1769% (0.61   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ALA   64  16.16 +/- 2.46   0.599% *  0.1769% (0.61   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  19.53 +/- 2.07   0.290% *  0.1769% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  21.31 +/- 4.87   0.312% *  0.1199% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  21.28 +/- 3.97   0.388% *  0.0649% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 4.84, residual support = 29.3:
        T HN    ALA   64 - HN    LYS+  65   2.68 +/- 0.16 100.000% *100.0000% (0.67 10.00   4.84  29.29) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.675, support = 6.37, residual support = 31.2:
          HN    LYS+  66 - HN    LYS+  65   2.67 +/- 0.17  85.323% * 93.2712% (0.68   6.42  31.47) =  99.243%  kept
          QD    PHE   60 - HN    LYS+  65   6.35 +/- 1.34   9.495% *  6.2955% (0.39   0.75   0.02) =   0.745%  kept
          QE    PHE   59 - HN    LYS+  65   9.33 +/- 1.14   2.420% *  0.2374% (0.55   0.02   0.02) =   0.007%
          HN    PHE   59 - HN    LYS+  65   8.99 +/- 0.92   2.467% *  0.1219% (0.28   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    LYS+  65  19.60 +/- 2.75   0.294% *  0.0739% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.16:
          HA    ASP-  62 - HN    LYS+  65   3.80 +/- 0.38  94.498% * 96.5628% (0.67   1.10   4.16) =  99.919%  kept
          HA    SER  117 - HN    LYS+  65  16.61 +/- 2.52   3.075% *  1.3189% (0.50   0.02   0.02) =   0.044%
          HB    THR   26 - HN    LYS+  65  17.10 +/- 2.44   1.757% *  1.8002% (0.68   0.02   0.02) =   0.035%
          HA    SER   82 - HN    LYS+  65  22.26 +/- 2.95   0.670% *  0.3181% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.14 A violated in 0 structures by 0.04 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.42, residual support = 31.5:
        T HN    LYS+  65 - HN    LYS+  66   2.67 +/- 0.17 100.000% *100.0000% (0.97 10.00   6.42  31.47) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.19, residual support = 118.9:
      O   HA    LYS+  66 - HN    LYS+  66   2.84 +/- 0.08  99.129% * 99.9389% (0.97  10.0   5.19 118.94) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  19.83 +/- 3.87   0.508% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  21.38 +/- 3.25   0.362% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0774, support = 2.97, residual support = 50.9:
          HD22  ASN   28 - HE3   TRP   27   5.18 +/- 0.17  96.102% * 94.9327% (0.08   2.98  50.98) =  99.784%  kept
          HD22  ASN   28 - HN    LEU   67  17.75 +/- 3.00   3.898% *  5.0673% (0.61   0.02   0.02) =   0.216%  kept
    Distance limit 4.54 A violated in 0 structures by 0.64 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.07, residual support = 60.6:
      O   HA    LEU   67 - HN    LEU   67   2.91 +/- 0.03  95.208% * 99.9623% (1.00  10.0   6.07  60.58) =  99.999%  kept
          HA    ASP-  76 - HN    LEU   67  13.82 +/- 2.51   1.593% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  14.44 +/- 2.15   1.147% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  12.70 +/- 3.34   2.052% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 4.99, residual support = 15.5:
      O   HA    LYS+  66 - HN    LEU   67   2.70 +/- 0.42  94.995% * 99.9186% (0.97  10.0   4.99  15.50) =  99.999%  kept
          HA    GLU-  36 - HN    LEU   67  17.95 +/- 3.91   1.354% *  0.0353% (0.34   1.0   0.02   0.02) =   0.001%
          HA    LYS+  66 - HE3   TRP   27  15.29 +/- 2.87   1.251% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  22.03 +/- 3.23   0.355% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  14.06 +/- 1.03   0.980% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  18.51 +/- 5.51   1.066% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 24.5:
        T HN    VAL   70 - HN    ASN   69   2.35 +/- 0.53  99.152% * 99.9644% (0.87 10.00   5.26  24.51) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.33 +/- 2.76   0.848% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.34, residual support = 59.0:
      O   HA    ASN   69 - HN    ASN   69   2.79 +/- 0.18  98.508% * 99.8231% (0.76  10.0   5.34  58.99) =  99.999%  kept
          HA    VAL   43 - HN    ASN   69  13.41 +/- 1.85   1.176% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  19.83 +/- 2.40   0.316% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.08, residual support = 59.0:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.723% * 99.9103% (0.52  10.0 10.00   3.08  58.99) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.67 +/- 2.43   0.225% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  24.30 +/- 4.34   0.053% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.08, residual support = 59.0:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.160% * 99.7566% (0.52  10.0   3.08  58.99) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  12.32 +/- 6.03   0.737% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HD22  ASN   69  27.74 +/- 5.08   0.061% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  28.41 +/- 6.32   0.041% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.99, residual support = 48.9:
          QE    PHE   72 - HN    VAL   70   4.57 +/- 0.75  97.501% * 97.8559% (0.45   2.00  48.95) =  99.944%  kept
          HD22  ASN   28 - HN    VAL   70  17.56 +/- 2.03   2.499% *  2.1441% (0.98   0.02   0.02) =   0.056%
    Distance limit 4.53 A violated in 0 structures by 0.26 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 24.5:
        T HN    ASN   69 - HN    VAL   70   2.35 +/- 0.53  99.006% * 99.9392% (0.87 10.00   5.26  24.51) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  17.76 +/- 6.41   0.565% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.64 +/- 1.69   0.429% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.05, residual support = 1.05:
          HA    PRO   68 - HN    VAL   70   4.26 +/- 0.41 100.000% *100.0000% (0.99   1.05   1.05) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 79.3:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  83.239% * 99.2525% (0.84  10.0   3.89  79.28) =  99.983%  kept
          HA    VAL   18 - HN    VAL   70   9.61 +/- 6.15   8.660% *  0.1147% (0.97   1.0   0.02   0.02) =   0.012%
          HA    LYS+  33 - HN    VAL   70  15.11 +/- 2.46   0.866% *  0.1186% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   70  15.67 +/- 3.67   1.015% *  0.0993% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    VAL   70  11.29 +/- 2.49   4.223% *  0.0235% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   70  18.05 +/- 2.01   0.406% *  0.1165% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    VAL   70  16.19 +/- 2.91   0.768% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  21.07 +/- 3.88   0.318% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  24.45 +/- 3.28   0.169% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  27.06 +/- 3.58   0.135% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  22.77 +/- 2.42   0.201% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 137.9:
      O   HA    LEU   71 - HN    LEU   71   2.92 +/- 0.04  94.759% * 99.9402% (1.00  10.0   6.61 137.85) =  99.998%  kept
          HA    ALA   20 - HN    LEU   71  12.33 +/- 3.45   2.472% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   43 - HN    LEU   71  10.25 +/- 1.90   2.769% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 5.84, residual support = 33.9:
      O   HA    VAL   70 - HN    LEU   71   2.23 +/- 0.05  69.249% * 93.5458% (1.00  10.0   5.88  34.20) =  99.041%  kept
          HA    VAL   18 - HN    LEU   71   8.38 +/- 5.81   9.924% *  5.6900% (0.69   1.0   1.77   0.02) =   0.863%  kept
          HB2   SER   37 - HN    LEU   71   8.27 +/- 2.43  14.345% *  0.4231% (0.49   1.0   0.19   0.02) =   0.093%
          HA1   GLY   16 - HN    LEU   71   9.41 +/- 6.99   5.086% *  0.0185% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  12.03 +/- 1.94   0.552% *  0.0811% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   71  16.72 +/- 3.69   0.420% *  0.0935% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   71  14.99 +/- 1.71   0.259% *  0.0679% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  23.63 +/- 3.50   0.073% *  0.0567% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  21.75 +/- 2.92   0.091% *  0.0233% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.996, support = 0.76, residual support = 0.754:
          HA    VAL   41 - HN    LEU   71   5.85 +/- 2.22  71.560% * 96.4628% (1.00   0.77   0.76) =  99.200%  kept
          HA    HIS  122 - HN    LEU   71  12.78 +/- 5.15  22.162% *  2.1082% (0.84   0.02   0.02) =   0.671%  kept
          HA    PHE   45 - HN    LEU   71  15.51 +/- 1.70   6.278% *  1.4290% (0.57   0.02   0.02) =   0.129%  kept
    Distance limit 4.09 A violated in 9 structures by 1.76 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.733, support = 2.02, residual support = 1.04:
          HN    VAL   42 - HN    LEU   71   6.52 +/- 1.93  42.861% * 31.4536% (0.61   2.21   0.78) =  40.926%  kept
          HN    ILE   19 - HN    LEU   71   8.64 +/- 4.95  33.669% * 33.0532% (0.98   1.44   1.25) =  33.784%  kept
          HN    LEU   73 - HN    LEU   71   7.22 +/- 0.34  23.470% * 35.4932% (0.61   2.50   1.19) =  25.289%  kept
    Distance limit 4.62 A violated in 0 structures by 0.52 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.449, support = 5.59, residual support = 90.1:
          QD    PHE   72 - HN    PHE   72   2.49 +/- 0.48  95.810% * 90.2668% (0.45   5.61  90.35) =  99.693%  kept
          HD22  ASN   69 - HN    PHE   72   9.45 +/- 0.76   2.800% *  9.2689% (0.73   0.36   0.02) =   0.299%  kept
          QE    PHE   45 - HN    PHE   72  11.89 +/- 1.87   1.390% *  0.4643% (0.65   0.02   0.02) =   0.007%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.04, residual support = 90.3:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.04  90.35) = 100.000%  kept
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 19.7:
      O   HA    LEU   71 - HN    PHE   72   2.41 +/- 0.18  92.205% * 99.9402% (1.00  10.0   5.65  19.74) =  99.998%  kept
          HA    ALA   20 - HN    PHE   72   9.55 +/- 4.49   3.384% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   43 - HN    PHE   72   8.03 +/- 2.04   4.411% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.623, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  15.18 +/- 1.57  21.456% * 29.8815% (0.73   0.02   0.02) =  37.176%  kept
          HA    ASP-  78 - HN    PHE   72  18.19 +/- 1.21  12.139% * 39.7133% (0.97   0.02   0.02) =  27.953%  kept
          HA    PHE   45 - HN    PHE   72  12.87 +/- 1.79  34.878% *  7.2068% (0.18   0.02   0.02) =  14.575%  kept
          HA    LEU   80 - HN    PHE   72  18.45 +/- 2.00  12.551% * 14.0368% (0.34   0.02   0.02) =  10.215%  kept
          HB    THR   23 - HN    PHE   72  15.98 +/- 1.90  18.976% *  9.1616% (0.22   0.02   0.02) =  10.081%  kept
    Distance limit 4.50 A violated in 20 structures by 6.69 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.593, support = 0.607, residual support = 1.52:
          QE    PHE   60 - HN    LEU   73   8.29 +/- 2.85  40.522% * 44.1414% (0.49   0.78   1.96) =  59.276%  kept
          HD21  ASN   28 - HN    LEU   73  10.89 +/- 2.14  24.939% * 28.2766% (0.98   0.25   1.44) =  23.370%  kept
          HN    LEU   63 - HN    LEU   73  10.26 +/- 1.59  20.245% * 24.5700% (0.41   0.52   0.13) =  16.484%  kept
          HZ2   TRP   87 - HN    LEU   73  19.61 +/- 6.35  10.139% *  2.2968% (0.99   0.02   0.02) =   0.772%  kept
          HN    ILE   56 - HN    LEU   73  16.87 +/- 2.29   4.155% *  0.7152% (0.31   0.02   0.02) =   0.098%
    Distance limit 4.61 A violated in 14 structures by 2.45 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.51, residual support = 173.3:
      O   HA    LEU   73 - HN    LEU   73   2.86 +/- 0.04 100.000% *100.0000% (0.95  10.0   6.51 173.26) = 100.000%  kept
    Distance limit 3.91 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 = 5.58, residual support = 44.4:
      O   HA    PHE   72 - HN    LEU   73   2.63 +/- 0.15 100.000% *100.0000% (0.53  10.0   5.58  44.40) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.617, support = 2.91, residual support = 4.51:
          HA    VAL   43 - HN    LEU   73   6.04 +/- 2.80  41.056% * 50.1442% (0.53   3.46   6.40) =  64.308%  kept
          HA    LEU   71 - HN    LEU   73   6.30 +/- 0.49  22.650% * 46.5790% (0.84   2.02   1.19) =  32.955%  kept
          HA    ALA   20 - HN    LEU   73   7.97 +/- 4.76  28.755% *  3.0143% (0.14   0.81   0.02) =   2.708%  kept
          HA    ASN   69 - HN    LEU   73  11.90 +/- 0.77   3.139% *  0.1533% (0.28   0.02   0.02) =   0.015%
          HA    HIS   22 - HN    LEU   73  11.09 +/- 2.05   4.401% *  0.1091% (0.20   0.02   0.02) =   0.015%
    Distance limit 4.38 A violated in 0 structures by 0.22 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.127, support = 4.03, residual support = 9.33:
        T HN    CYS   21 - HN    LYS+  74   6.50 +/- 6.25  52.352% * 95.8247% (0.12 10.00   4.06   9.41) =  99.128%  kept
        T HN    ILE  119 - HN    LYS+  74  17.91 +/- 2.78  10.185% *  3.0978% (0.40 10.00   0.02   0.02) =   0.623%  kept
          HN    SER   37 - HN    LYS+  74  15.26 +/- 2.17  14.972% *  0.5176% (0.67  1.00   0.02   0.02) =   0.153%  kept
          HN    ILE   89 - HN    LYS+  74  18.36 +/- 2.79   6.662% *  0.4381% (0.57  1.00   0.02   0.02) =   0.058%
          HN    LYS+  38 - HN    LYS+  74  15.33 +/- 2.27  15.829% *  0.1218% (0.16  1.00   0.02   0.02) =   0.038%
    Distance limit 4.25 A violated in 5 structures by 1.60 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.575, support = 4.33, residual support = 20.4:
        T HN    ILE   19 - HN    LYS+  74   8.17 +/- 6.55  32.757% * 73.0436% (0.54 10.00   3.24   7.68) =  63.637%  kept
          HN    LEU   73 - HN    LYS+  74   4.20 +/- 0.74  50.866% * 26.8517% (0.64  1.00   6.27  42.84) =  36.326%  kept
          HN    VAL   42 - HN    LYS+  74   7.79 +/- 2.74  15.688% *  0.0857% (0.64  1.00   0.02   0.02) =   0.036%
          HN    LYS+ 106 - HN    LYS+  74  18.56 +/- 3.30   0.688% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.75, residual support = 42.8:
      O   HA    LEU   73 - HN    LYS+  74   2.55 +/- 0.20 100.000% *100.0000% (0.68  10.0   5.75  42.84) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.12, residual support = 186.8:
      O   HA    LYS+  74 - HN    LYS+  74   2.89 +/- 0.04  92.224% * 99.4309% (0.20  10.0   6.12 186.86) =  99.989%  kept
          HA    MET   92 - HN    LYS+  74  15.62 +/- 2.90   1.771% *  0.3102% (0.61   1.0   0.02   0.02) =   0.006%
          HA    VAL   41 - HN    LYS+  74   9.02 +/- 2.63   5.444% *  0.0708% (0.14   1.0   0.02   0.02) =   0.004%
          HA    HIS  122 - HN    LYS+  74  18.58 +/- 3.11   0.561% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 0.657, support = 3.16, residual support = 5.23:
          HA    ALA   20 - HN    LYS+  74   6.45 +/- 6.83  65.917% * 84.7263% (0.68   3.35   5.66) =  91.474%  kept
          HA    LEU   71 - HN    LYS+  74   7.84 +/- 1.42  34.083% * 15.2737% (0.37   1.11   0.66) =   8.526%  kept
    Distance limit 3.79 A violated in 2 structures by 0.39 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.31, residual support = 31.8:
      O   HA    LYS+  74 - HN    VAL   75   2.21 +/- 0.05  98.900% * 99.7992% (0.61  10.0   6.31  31.85) =  99.998%  kept
          HA    MET   92 - HN    VAL   75  12.45 +/- 2.11   0.885% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  18.37 +/- 3.02   0.215% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.72, residual support = 35.7:
      O   HA    ASP-  76 - HN    ASP-  76   2.88 +/- 0.06  98.561% * 99.5538% (0.22  10.0   3.72  35.72) =  99.993%  kept
          HA    LEU   67 - HN    ASP-  76  14.62 +/- 2.52   1.439% *  0.4462% (1.00   1.0   0.02   0.02) =   0.007%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 19.4:
      O   HA    VAL  107 - HN    VAL  108   2.23 +/- 0.03  95.825% * 99.5919% (0.65  10.0   3.97  19.38) =  99.998%  kept
          HA    LYS+ 111 - HN    VAL  108   8.12 +/- 1.71   3.005% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  15.04 +/- 3.31   0.663% *  0.1058% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    VAL  108  14.40 +/- 1.38   0.386% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  22.03 +/- 2.88   0.121% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 5.31, residual support = 27.5:
        T HN    ASP-  78 - HN    THR   77   2.58 +/- 0.15  92.119% * 96.7460% (0.98 10.00   5.32  27.53) =  99.733%  kept
          HN    VAL   75 - HN    THR   77   6.18 +/- 0.64   7.382% *  3.2367% (0.61  1.00   1.08   0.73) =   0.267%  kept
          HN    LYS+ 112 - HN    THR   77  17.92 +/- 3.98   0.499% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.32, residual support = 27.5:
        T HN    THR   77 - HN    ASP-  78   2.58 +/- 0.15 100.000% *100.0000% (1.00 10.00   5.32  27.53) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.89, residual support = 21.6:
        T HN    GLU-  79 - HN    ASP-  78   2.56 +/- 0.23  98.043% * 99.9158% (0.99 10.00   3.89  21.59) =  99.998%  kept
          HN    THR   94 - HN    ASP-  78  10.42 +/- 2.07   1.957% *  0.0842% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 3.02 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 = 3.89, residual support = 21.6:
        T HN    ASP-  78 - HN    GLU-  79   2.56 +/- 0.23  97.303% * 99.4288% (0.56 10.00   3.89  21.59) =  99.984%  kept
          HN    VAL   75 - HN    GLU-  79   8.65 +/- 0.39   2.697% *  0.5712% (0.56  1.00   0.11   0.02) =   0.016%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.603, support = 4.44, residual support = 56.6:
      O   HA    GLU-  79 - HN    GLU-  79   2.62 +/- 0.22  87.121% * 94.5824% (0.60  10.0   4.45  56.93) =  99.434%  kept
          HB    THR   77 - HN    GLU-  79   5.65 +/- 0.37   9.474% *  4.9319% (0.37   1.0   1.70   0.02) =   0.564%  kept
          HA    ASP-  44 - HN    GLU-  79  11.60 +/- 1.11   1.088% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.38 +/- 0.59   0.890% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    GLU-  79  17.96 +/- 4.10   0.411% *  0.0935% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  16.32 +/- 3.15   0.519% *  0.0729% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  20.64 +/- 2.60   0.213% *  0.0693% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  22.74 +/- 2.30   0.146% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  30.91 +/- 5.86   0.137% *  0.0464% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 21.6:
      O   HA    ASP-  78 - HN    GLU-  79   3.58 +/- 0.07  88.994% * 98.7485% (0.08  10.0   3.85  21.59) =  99.916%  kept
          HA    PHE   45 - HN    GLU-  79   8.73 +/- 2.22   9.619% *  0.7232% (0.60   1.0   0.02   0.02) =   0.079%
          HA    VAL   41 - HN    GLU-  79  16.69 +/- 1.99   1.120% *  0.3839% (0.32   1.0   0.02   0.02) =   0.005%
          HA    HIS  122 - HN    GLU-  79  25.71 +/- 2.52   0.267% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 10.6:
      O   HA    ASP-  76 - HN    THR   77   2.29 +/- 0.03  98.484% * 99.8354% (0.53  10.0   4.53  10.64) =  99.997%  kept
          HA    LEU   67 - HN    THR   77  15.95 +/- 3.33   1.516% *  0.1646% (0.87   1.0   0.02   0.02) =   0.003%
    Distance limit 3.04 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 = 1.14, residual support = 2.87:
          HA    ALA   47 - HN    THR   77   8.68 +/- 4.50  38.388% * 88.6535% (0.57   1.18   2.97) =  96.581%  kept
          HA    CYS   21 - HN    THR   77  15.22 +/- 5.13  17.687% *  1.8172% (0.69   0.02   0.02) =   0.912%  kept
          HA    CYS   50 - HN    THR   77  12.10 +/- 3.41  12.220% *  2.5931% (0.98   0.02   0.02) =   0.899%  kept
          HA1   GLY  109 - HN    THR   77  16.80 +/- 4.11   8.170% *  2.5531% (0.97   0.02   0.02) =   0.592%  kept
          HA    TRP   49 - HN    THR   77  13.96 +/- 4.27   7.964% *  2.2948% (0.87   0.02   0.02) =   0.519%  kept
          HA    VAL  108 - HN    THR   77  14.54 +/- 3.30  12.195% *  1.1860% (0.45   0.02   0.02) =   0.410%  kept
          HA    LYS+ 102 - HN    THR   77  21.62 +/- 2.31   3.375% *  0.9024% (0.34   0.02   0.02) =   0.086%
    Distance limit 4.49 A violated in 11 structures by 2.77 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.402, support = 0.99, residual support = 8.13:
          HA    THR   46 - HN    THR   77   7.37 +/- 3.40  41.858% * 36.4504% (0.25   1.18  10.84) =  73.963%  kept
          HA    VAL   42 - HN    THR   77  13.10 +/- 1.76   8.110% * 56.7586% (0.87   0.53   0.51) =  22.316%  kept
          HA    GLN   90 - HN    THR   77   9.66 +/- 3.18  28.364% *  1.7038% (0.69   0.02   0.02) =   2.343%  kept
          HA    ALA  110 - HN    THR   77  15.66 +/- 5.40  11.429% *  1.4043% (0.57   0.02   0.02) =   0.778%  kept
          HA    PHE   55 - HN    THR   77  16.87 +/- 3.00   3.286% *  2.1516% (0.87   0.02   0.02) =   0.343%  kept
          HA    GLN   17 - HN    THR   77  19.97 +/- 6.82   5.054% *  0.7656% (0.31   0.02   0.02) =   0.188%  kept
          HA    SER   37 - HN    THR   77  23.73 +/- 2.74   1.899% *  0.7656% (0.31   0.02   0.02) =   0.070%
    Distance limit 4.39 A violated in 9 structures by 1.55 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   3.22 +/- 0.42  77.835% * 97.2145% (0.76  10.0   4.02  37.46) =  99.716%  kept
          HA    GLU-  79 - HN    THR   77   6.61 +/- 0.48  10.248% *  1.9976% (0.28   1.0   1.13   0.02) =   0.270%  kept
          HA    ASP-  44 - HN    THR   77   8.50 +/- 1.30   5.290% *  0.1063% (0.84   1.0   0.02   0.02) =   0.007%
          HA    SER   85 - HN    THR   77  13.22 +/- 1.97   1.708% *  0.0972% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  14.21 +/- 2.24   1.475% *  0.1019% (0.80   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    THR   77  24.27 +/- 5.76   0.520% *  0.0924% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  18.95 +/- 2.35   0.468% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    THR   77  28.44 +/- 5.72   0.277% *  0.1063% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  29.95 +/- 5.91   0.258% *  0.1103% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  15.53 +/- 3.63   1.300% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  21.59 +/- 2.63   0.298% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  21.22 +/- 2.01   0.324% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.645, support = 5.29, residual support = 41.1:
        T HN    LEU   80 - HN    LYS+  81   3.64 +/- 0.71  80.251% * 94.5576% (0.65 10.00   5.33  41.46) =  99.068%  kept
          HN    SER   85 - HN    LYS+  81   6.48 +/- 0.32  17.065% *  4.1431% (0.45  1.00   1.26   0.02) =   0.923%  kept
        T HN    ALA   34 - HN    LYS+  81  23.42 +/- 4.22   0.475% *  1.1171% (0.76 10.00   0.02   0.02) =   0.007%
          HN    CYS   53 - HN    LYS+  81  18.94 +/- 4.02   1.614% *  0.0601% (0.41  1.00   0.02   0.02) =   0.001%
          HN    GLN   32 - HN    LYS+  81  22.92 +/- 5.15   0.595% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.82, residual support = 19.9:
        T HN    SER   82 - HN    LYS+  81   2.63 +/- 0.15  98.109% * 99.8569% (1.00 10.00   4.82  19.91) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  12.11 +/- 1.79   1.264% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  27.43 +/- 7.88   0.314% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  22.67 +/- 4.41   0.200% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  26.47 +/- 2.88   0.113% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.691, support = 5.77, residual support = 40.8:
      O   HA    LEU   80 - HN    LYS+  81   2.50 +/- 0.39  82.888% * 90.6261% (0.69  10.0   5.84  41.46) =  98.347%  kept
          HA    ASP-  78 - HN    LYS+  81   6.07 +/- 1.44  13.777% *  9.1385% (0.95   1.0   1.46   0.39) =   1.648%  kept
          HA    THR   23 - HN    LYS+  81  17.37 +/- 9.03   1.869% *  0.1293% (0.98   1.0   0.02   0.02) =   0.003%
          HB    THR   23 - HN    LYS+  81  19.15 +/- 8.95   0.936% *  0.0694% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HN    LYS+  81  23.37 +/- 4.87   0.530% *  0.0367% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.4, residual support = 111.2:
      O   HA    LYS+  81 - HN    LYS+  81   2.79 +/- 0.05  98.570% * 99.7055% (0.99  10.0   5.40 111.24) =  99.999%  kept
          HA    ARG+  54 - HN    LYS+  81  20.23 +/- 3.06   0.330% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  81  19.61 +/- 6.21   0.720% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  28.19 +/- 3.78   0.114% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  33.56 +/- 3.30   0.064% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  23.39 +/- 2.76   0.203% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 4.18, residual support = 34.7:
      O   HA    SER   82 - HN    SER   82   2.75 +/- 0.04  97.349% * 98.7108% (0.25  10.0   4.18  34.69) =  99.992%  kept
          HA    GLU-  25 - HN    SER   82  20.43 +/- 8.50   1.167% *  0.3170% (0.80   1.0   0.02   0.02) =   0.004%
          HA    CYS   53 - HN    SER   82  19.31 +/- 3.40   0.404% *  0.3880% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    SER   82  22.78 +/- 7.16   0.329% *  0.3820% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  22.42 +/- 7.97   0.598% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  25.95 +/- 3.54   0.153% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.326, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  23.02 +/- 5.11  41.794% * 67.5049% (0.41   0.02   0.02) =  59.865%  kept
          HB    THR   23 - HN    SER   82  19.98 +/- 9.31  58.206% * 32.4951% (0.20   0.02   0.02) =  40.135%  kept
    Distance limit 4.37 A violated in 20 structures by 12.08 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   2.78 +/- 0.11  99.202% * 99.9274% (1.00 10.00   5.62  19.02) =  99.999%  kept
          HN    CYS   50 - HN    SER   82  17.32 +/- 3.99   0.798% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.82, residual support = 19.9:
          HN    LYS+  81 - HN    SER   82   2.63 +/- 0.15  97.422% * 99.3772% (1.00   4.82  19.91) =  99.996%  kept
          QD    PHE   60 - HN    SER   82  16.36 +/- 2.31   0.532% *  0.3309% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  18.17 +/- 6.60   1.548% *  0.0920% (0.22   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    SER   82  21.87 +/- 3.16   0.247% *  0.1275% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  21.80 +/- 3.30   0.252% *  0.0724% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 7.53, residual support = 40.7:
        T HN    ALA   84 - HN    VAL   83   2.63 +/- 0.03  98.915% * 99.6823% (0.75 10.00   7.53  40.70) =  99.999%  kept
          HN    LYS+ 111 - HN    VAL   83  20.81 +/- 3.94   0.382% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.09 +/- 2.20   0.254% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    VAL   83  26.75 +/- 6.29   0.204% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.54 +/- 2.43   0.244% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 19.0:
        T HN    SER   82 - HN    VAL   83   2.78 +/- 0.11  96.916% * 99.8569% (0.75 10.00   5.62  19.02) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83  10.52 +/- 1.22   2.104% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    VAL   83  27.65 +/- 8.15   0.470% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  20.99 +/- 5.60   0.356% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  25.20 +/- 2.67   0.153% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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   2.77 +/- 0.10  98.003% * 99.8725% (0.99 10.00   3.77  20.71) =  99.999%  kept
          HN    THR   94 - HN    ALA   84  12.46 +/- 2.29   1.451% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  23.75 +/- 5.70   0.305% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  24.21 +/- 5.01   0.241% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 7.53, residual support = 40.7:
        T HN    VAL   83 - HN    ALA   84   2.63 +/- 0.03  99.257% * 99.9274% (1.00 10.00   7.53  40.70) =  99.999%  kept
          HN    CYS   50 - HN    ALA   84  15.31 +/- 2.82   0.743% *  0.0726% (0.73  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 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 = 2.25, residual support = 5.53:
          HA    LYS+  81 - HN    ALA   84   3.13 +/- 0.16  97.034% * 95.6727% (0.80   2.25   5.53) =  99.982%  kept
          HA    ASN   28 - HN    ALA   84  20.42 +/- 6.47   1.103% *  0.5177% (0.49   0.02   0.02) =   0.006%
          HA    ARG+  54 - HN    ALA   84  19.06 +/- 1.96   0.502% *  1.0264% (0.97   0.02   0.02) =   0.006%
          HA    LEU  115 - HN    ALA   84  21.84 +/- 2.21   0.311% *  0.4768% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   84  29.08 +/- 4.69   0.161% *  0.7306% (0.69   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    ALA   84  24.41 +/- 4.77   0.316% *  0.3283% (0.31   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   84  33.03 +/- 2.59   0.088% *  1.0612% (1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   84  23.20 +/- 6.20   0.485% *  0.1863% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    VAL   83  18.11 +/- 2.64  25.432% * 27.0775% (0.70   0.02   0.02) =  39.373%  kept
          HA    THR   26 - HN    VAL   83  22.22 +/- 7.87  13.350% * 21.2999% (0.55   0.02   0.02) =  16.258%  kept
          HA    GLU-  25 - HN    VAL   83  20.36 +/- 8.16  21.577% * 13.1508% (0.34   0.02   0.02) =  16.224%  kept
          HA    ILE   19 - HN    VAL   83  22.41 +/- 7.07  12.402% * 20.1488% (0.52   0.02   0.02) =  14.288%  kept
          HA    GLU- 114 - HN    VAL   83  24.39 +/- 3.44  11.677% * 11.0089% (0.28   0.02   0.02) =   7.350%  kept
          HA1   GLY  101 - HN    VAL   83  22.43 +/- 6.40  15.563% *  7.3142% (0.19   0.02   0.02) =   6.508%  kept
    Distance limit 4.37 A violated in 20 structures by 8.90 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 = 5.07:
        T HN    SER   85 - HN    VAL   83   4.42 +/- 0.11  57.734% * 97.9507% (0.58 10.00   2.59   5.13) =  98.871%  kept
          HN    LEU   80 - HN    VAL   83   5.16 +/- 0.70  39.095% *  1.6395% (0.26  1.00   0.75   0.14) =   1.121%  kept
        T HN    CYS   53 - HN    VAL   83  18.23 +/- 3.04   1.118% *  0.2245% (0.13 10.00   0.02   0.02) =   0.004%
          HN    GLN   32 - HN    VAL   83  22.74 +/- 6.31   1.186% *  0.1279% (0.75  1.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  23.21 +/- 5.61   0.867% *  0.0575% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 10.4:
          HN    SER   82 - HN    ALA   84   3.86 +/- 0.12  89.209% * 99.2200% (0.87   4.17  10.37) =  99.957%  kept
          HN    GLN   90 - HN    ALA   84   8.80 +/- 1.48   9.257% *  0.3765% (0.69   0.02   0.02) =   0.039%
          HN    ILE  103 - HN    ALA   84  21.37 +/- 5.56   0.827% *  0.2668% (0.49   0.02   0.02) =   0.002%
          HN    GLY   16 - HN    ALA   84  28.44 +/- 7.80   0.707% *  0.1367% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.5:
          HN    ASP-  86 - HN    SER   85   2.46 +/- 0.11  99.027% * 97.4518% (0.80   3.33  13.48) =  99.995%  kept
          HN    GLN   30 - HN    SER   85  23.96 +/- 6.72   0.268% *  0.6346% (0.87   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    SER   85  23.05 +/- 6.21   0.211% *  0.4732% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    SER   85  24.28 +/- 7.12   0.300% *  0.2746% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  32.84 +/- 7.21   0.094% *  0.6346% (0.87   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  27.15 +/- 4.61   0.101% *  0.5312% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.44 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   2.77 +/- 0.10  94.456% * 97.8180% (0.90   3.77  20.71) =  99.988%  kept
          HZ2   TRP   87 - HN    SER   85   9.22 +/- 0.90   2.946% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    SER   85  20.05 +/- 7.70   1.617% *  0.1786% (0.31   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    SER   85  21.00 +/- 3.63   0.327% *  0.5190% (0.90   0.02   0.02) =   0.002%
          HN    ILE   56 - HN    SER   85  20.51 +/- 2.55   0.287% *  0.5672% (0.98   0.02   0.02) =   0.002%
          HN    LEU   63 - HN    SER   85  22.45 +/- 2.49   0.206% *  0.5342% (0.92   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    SER   85  29.23 +/- 6.64   0.161% *  0.2817% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.59, residual support = 5.13:
        T HN    VAL   83 - HN    SER   85   4.42 +/- 0.11  97.141% * 99.9526% (0.87 10.00   2.59   5.13) =  99.999%  kept
          HN    CYS   50 - HN    SER   85  16.16 +/- 3.06   2.859% *  0.0474% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.20 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 +/- 0.03  77.100% * 92.5423% (0.99  10.0   3.65  18.04) =  98.604%  kept
          HA    ASP-  86 - HN    SER   85   4.93 +/- 0.11  14.649% *  6.8493% (0.45   1.0   3.27  13.48) =   1.387%  kept
          HB    THR   77 - HN    SER   85  10.06 +/- 2.94   4.613% *  0.0925% (0.99   1.0   0.02   0.02) =   0.006%
          HA    GLU-  79 - HN    SER   85  10.24 +/- 0.53   1.661% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  15.51 +/- 3.00   0.655% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  21.56 +/- 5.95   0.313% *  0.0883% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.31 +/- 3.67   0.362% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  37.28 +/- 6.87   0.072% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  32.01 +/- 7.40   0.149% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  27.52 +/- 4.44   0.105% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.78 +/- 2.82   0.236% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  35.84 +/- 7.13   0.085% *  0.0454% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.585, support = 0.02, residual support = 0.02:
          HA    CYS   53 - HN    SER   85  18.20 +/- 2.68  22.306% * 14.2963% (0.61   0.02   0.02) =  29.299%  kept
          HA    THR   26 - HN    SER   85  25.07 +/- 7.34   7.726% * 23.1039% (0.98   0.02   0.02) =  16.401%  kept
          HA1   GLY  101 - HN    SER   85  24.08 +/- 7.21  11.213% * 13.3446% (0.57   0.02   0.02) =  13.748%  kept
          HA    GLU- 114 - HN    SER   85  25.12 +/- 3.03   8.245% * 17.1158% (0.73   0.02   0.02) =  12.966%  kept
          HA    ASN   28 - HN    SER   85  21.96 +/- 7.17  14.016% *  5.2476% (0.22   0.02   0.02) =   6.757%  kept
          HA    ILE   19 - HN    SER   85  25.25 +/- 6.59   7.992% *  8.0401% (0.34   0.02   0.02) =   5.904%  kept
          HA    LEU  115 - HN    SER   85  23.18 +/- 2.51   9.432% *  5.8774% (0.25   0.02   0.02) =   5.093%  kept
          HA    GLU-  25 - HN    SER   85  22.91 +/- 7.86  13.070% *  4.1279% (0.18   0.02   0.02) =   4.957%  kept
          HA    ALA   34 - HN    SER   85  26.16 +/- 5.31   6.000% *  8.8463% (0.38   0.02   0.02) =   4.876%  kept
    Distance limit 3.92 A violated in 20 structures by 9.88 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.5:
        T HN    SER   85 - HN    ASP-  86   2.46 +/- 0.11  98.391% * 99.7141% (0.99 10.00   3.33  13.48) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  25.75 +/- 6.36   0.183% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  13.48 +/- 3.25   1.177% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  25.21 +/- 7.08   0.249% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.937, support = 3.71, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.60 +/- 0.12  95.554% * 73.8624% (0.95   3.71  22.69) =  98.539%  kept
          HE3   TRP   87 - HN    ASP-  86   7.45 +/- 0.27   4.127% * 25.3293% (0.31   3.90  22.69) =   1.460%  kept
          HD21  ASN   69 - HN    ASP-  86  27.70 +/- 4.93   0.172% *  0.3885% (0.92   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    ASP-  86  29.12 +/- 7.89   0.147% *  0.4199% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.804, support = 4.1, residual support = 39.9:
      O   HA    ASP-  86 - HN    ASP-  86   2.77 +/- 0.05  57.720% * 79.5821% (0.87  10.0   4.16  42.44) =  90.925%  kept
      O   HA    SER   85 - HN    ASP-  86   3.52 +/- 0.05  28.243% * 14.1558% (0.15  10.0   3.26  13.48) =   7.914%  kept
          HA    TRP   87 - HN    ASP-  86   5.07 +/- 0.22   9.832% *  5.9596% (0.28   1.0   4.67  22.69) =   1.160%  kept
          HB    THR   77 - HN    ASP-  86  10.67 +/- 3.01   3.311% *  0.0142% (0.15   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    ASP-  86  23.46 +/- 6.30   0.167% *  0.0885% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  15.32 +/- 3.43   0.522% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  32.16 +/- 7.72   0.105% *  0.0847% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  36.04 +/- 7.46   0.056% *  0.0766% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  37.53 +/- 7.14   0.044% *  0.0204% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 22.7:
          HN    ASP-  86 - HN    TRP   87   2.60 +/- 0.12  98.753% * 98.4399% (1.00   3.71  22.69) =  99.996%  kept
          HN    GLN   30 - HN    TRP   87  24.51 +/- 6.81   0.288% *  0.5305% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  29 - HN    TRP   87  24.97 +/- 7.02   0.288% *  0.3861% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  99 - HN    TRP   87  22.01 +/- 7.13   0.436% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  26.34 +/- 4.58   0.140% *  0.1996% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  33.48 +/- 7.37   0.095% *  0.2798% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.816, support = 4.06, residual support = 67.9:
      O   HA    TRP   87 - HN    TRP   87   2.85 +/- 0.14  65.603% * 78.1363% (0.90  10.0   4.16  74.40) =  87.458%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.57 +/- 0.06  33.836% * 21.7248% (0.25  10.0   3.39  22.69) =  12.542%  kept
          HA    LEU  104 - HN    TRP   87  22.93 +/- 6.33   0.240% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  23.00 +/- 2.55   0.148% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  32.62 +/- 7.57   0.107% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  36.53 +/- 7.42   0.066% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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  87.354% * 73.5108% (0.28  10.0   1.87  74.40) =  96.252%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.740% * 25.5959% (0.73   1.0   2.50  74.40) =   3.737%  kept
          HN    ALA   91 - HE1   TRP   87  10.99 +/- 1.01   1.368% *  0.2800% (0.99   1.0   0.02   0.02) =   0.006%
          HN    TRP   27 - HE1   TRP   87  21.15 +/- 8.39   1.052% *  0.2534% (0.90   1.0   0.02   0.02) =   0.004%
          HN    ALA   61 - HE1   TRP   87  19.53 +/- 3.16   0.265% *  0.2727% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  25.17 +/- 6.71   0.221% *  0.0872% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.7, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HE1   TRP   87  17.08 +/- 8.46  55.165% * 80.1831% (0.80   0.02   0.02) =  83.273%  kept
          HZ    PHE   72 - HE1   TRP   87  19.03 +/- 4.38  44.835% * 19.8169% (0.20   0.02   0.02) =  16.727%  kept
    Distance limit 4.29 A violated in 16 structures by 10.68 A, eliminated.
    Peak unassigned.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.292, support = 3.03, residual support = 5.09:
      O   HA    TRP   87 - HN    ALA   88   2.80 +/- 0.36  54.938% * 90.0029% (0.28  10.0   3.09   5.21) =  97.593%  kept
          HA    ASP-  86 - HN    ALA   88   5.58 +/- 1.22  13.548% *  8.8795% (0.87   1.0   0.63   0.02) =   2.374%  kept
          HA    SER   85 - HN    ALA   88   5.04 +/- 1.83  26.817% *  0.0499% (0.15   1.0   0.02   0.02) =   0.026%
          HB    THR   77 - HN    ALA   88  11.43 +/- 3.59   3.759% *  0.0499% (0.15   1.0   0.02   0.02) =   0.004%
          HA    LEU  104 - HN    ALA   88  23.67 +/- 6.65   0.200% *  0.3124% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ALA   88  15.58 +/- 3.63   0.599% *  0.0641% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   88  34.33 +/- 7.54   0.064% *  0.2988% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  38.18 +/- 7.43   0.042% *  0.2704% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  39.82 +/- 6.92   0.032% *  0.0721% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.599, support = 0.823, residual support = 18.0:
          HA    TRP   87 - HN    ILE   89   4.49 +/- 0.51  69.547% * 76.4814% (0.61   0.88  19.66) =  91.653%  kept
          HA    ASP-  86 - HN    ILE   89   6.49 +/- 0.96  27.886% * 17.2139% (0.53   0.23   0.02) =   8.271%  kept
          HA    LEU  104 - HN    ILE   89  23.11 +/- 5.41   0.968% *  2.7189% (0.95   0.02   0.02) =   0.045%
          HA    GLU-  14 - HN    ILE   89  32.60 +/- 7.06   0.533% *  1.7433% (0.61   0.02   0.02) =   0.016%
          HA    ALA   12 - HN    ILE   89  36.52 +/- 7.08   0.358% *  1.3990% (0.49   0.02   0.02) =   0.009%
          HA    PHE   59 - HN    ILE   89  21.61 +/- 1.97   0.708% *  0.4435% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.38 A violated in 0 structures by 0.17 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.76, residual support = 32.5:
          HN    ALA   91 - HN    GLN   90   2.44 +/- 0.48  97.243% * 99.1384% (0.92   6.76  32.54) =  99.992%  kept
          HE3   TRP   87 - HN    GLN   90  10.22 +/- 0.72   1.931% *  0.3066% (0.97   0.02   0.02) =   0.006%
          HN    ALA   61 - HN    GLN   90  17.03 +/- 2.48   0.462% *  0.3066% (0.97   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    GLN   90  23.29 +/- 4.59   0.257% *  0.1927% (0.61   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    GLN   90  28.63 +/- 6.87   0.107% *  0.0556% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.395, support = 5.28, residual support = 88.8:
      O   HA    GLN   90 - HN    GLN   90   2.80 +/- 0.15  78.200% * 68.5429% (0.34  10.0   5.48  95.23) =  89.730%  kept
          HA    ALA   91 - HN    GLN   90   4.57 +/- 0.40  19.782% * 31.0033% (0.87   1.0   3.56  32.54) =  10.267%  kept
          HA    VAL  107 - HN    GLN   90  16.62 +/- 1.91   0.460% *  0.1939% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    GLN   90  14.15 +/- 3.01   0.948% *  0.0901% (0.45   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    GLN   90  23.20 +/- 4.72   0.233% *  0.1300% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    GLN   90  17.29 +/- 1.93   0.377% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 95.2:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.951% * 99.0596% (0.92  10.0 10.00   1.00  95.23) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  33.61 +/- 6.15   0.026% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  32.17 +/- 6.30   0.023% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 95.2:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.215% * 99.4024% (0.76  10.0   1.00  95.23) =  99.998%  kept
          HD21  ASN   35 - HE22  GLN   32   8.29 +/- 1.62   1.357% *  0.0646% (0.25   1.0   0.02   3.33) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  12.36 +/- 4.30   1.048% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  19.31 +/- 2.87   0.090% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  32.82 +/- 4.64   0.018% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  18.36 +/- 2.32   0.099% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  28.48 +/- 5.30   0.031% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  33.61 +/- 6.15   0.025% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  27.26 +/- 4.21   0.034% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  29.53 +/- 4.72   0.029% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  31.14 +/- 5.96   0.030% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.61 +/- 5.00   0.023% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.76, residual support = 32.5:
        T HN    GLN   90 - HN    ALA   91   2.44 +/- 0.48  93.947% * 99.6698% (0.95 10.00   6.76  32.54) =  99.998%  kept
          HN    GLY  109 - HN    ALA   91  11.74 +/- 2.32   1.456% *  0.0554% (0.53  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  12.34 +/- 1.93   2.249% *  0.0235% (0.22  1.00   0.02   0.02) =   0.001%
        T HN    GLN   90 - HN    TRP   27  23.29 +/- 4.59   0.247% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.94 +/- 3.37   0.218% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.34 +/- 5.44   0.487% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  19.38 +/- 8.06   1.221% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  23.67 +/- 2.94   0.175% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.501, support = 0.02, residual support = 6.82:
          HA    LEU   73 - HN    ALA   91  18.08 +/- 2.93  26.241% * 89.0027% (0.65   0.02   0.02) =  74.222%  kept
          HA    LEU   73 - HN    TRP   27   9.76 +/- 2.94  73.759% * 10.9973% (0.08   0.02  26.40) =  25.778%  kept
    Distance limit 4.48 A violated in 20 structures by 4.88 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 3.41, residual support = 25.3:
      O   HA    ALA   91 - HN    ALA   91   2.90 +/- 0.03  45.776% * 89.2967% (1.00  10.0   3.16  14.50) =  88.372%  kept
      O   HA    TRP   27 - HN    TRP   27   2.79 +/- 0.04  51.410% * 10.4606% (0.12  10.0   5.29 107.07) =  11.627%  kept
          HA    PRO   52 - HN    ALA   91  13.03 +/- 3.15   0.935% *  0.0305% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ALA   91  15.62 +/- 1.24   0.319% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    ALA   91  22.14 +/- 4.33   0.176% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  12.89 +/- 3.41   0.890% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  21.89 +/- 3.73   0.168% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.18 +/- 3.95   0.163% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  26.85 +/- 3.07   0.073% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  25.01 +/- 3.90   0.089% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.991, support = 3.65, residual support = 14.6:
          HN    ALA   91 - HN    MET   92   4.23 +/- 0.28  85.123% * 98.2765% (0.99   3.65  14.58) =  99.945%  kept
          HN    ALA   61 - HN    MET   92  13.28 +/- 1.73   3.376% *  0.5239% (0.97   0.02   0.02) =   0.021%
          HE3   TRP   87 - HN    MET   92  13.53 +/- 1.58   2.920% *  0.3942% (0.73   0.02   0.02) =   0.014%
          HD1   TRP   87 - HN    MET   92  11.00 +/- 2.15   7.064% *  0.1509% (0.28   0.02   0.02) =   0.013%
          HN    TRP   27 - HN    MET   92  21.42 +/- 3.27   1.081% *  0.4869% (0.90   0.02   0.02) =   0.006%
          HN    THR   39 - HN    MET   92  25.41 +/- 2.59   0.437% *  0.1676% (0.31   0.02   0.02) =   0.001%
    Distance limit 5.05 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 = 62.6:
      O   HA    MET   92 - HN    MET   92   2.82 +/- 0.08  81.339% * 98.8968% (0.25  10.0   4.51  62.67) =  99.910%  kept
          HA    PHE   45 - HN    MET   92   7.30 +/- 2.32  18.165% *  0.3890% (0.25   1.0   0.08   0.02) =   0.088%
          HA    VAL   41 - HN    MET   92  18.56 +/- 2.44   0.336% *  0.3176% (0.80   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    MET   92  23.23 +/- 2.06   0.160% *  0.3966% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 3.65, residual support = 14.6:
      O   HA    ALA   91 - HN    MET   92   2.49 +/- 0.27  94.586% * 99.6892% (0.80  10.0   3.65  14.58) =  99.997%  kept
          HA    PRO   52 - HN    MET   92  11.80 +/- 3.24   1.719% *  0.0855% (0.69   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HN    MET   92  13.13 +/- 3.24   2.701% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    MET   92  13.22 +/- 0.95   0.709% *  0.0805% (0.65   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    MET   92  21.08 +/- 3.29   0.286% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 3.42, residual support = 27.6:
        T HN    PHE   45 - HN    THR   94   2.85 +/- 0.81  88.185% * 97.7349% (0.95 10.00   3.43  27.69) =  99.690%  kept
          HN    ALA  110 - HN    THR   94   8.75 +/- 3.19  11.815% *  2.2651% (1.00  1.00   0.44   0.02) =   0.310%  kept
    Distance limit 4.30 A violated in 0 structures by 0.03 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   9.25 +/- 0.53 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.41 A violated in 20 structures by 4.84 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 = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.20 +/- 0.05  98.155% * 99.9112% (0.22  10.0   4.08  15.64) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.54 +/- 2.50   1.845% *  0.0888% (0.20   1.0   0.02   0.02) =   0.002%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.95 +/- 0.32  79.054% * 54.6147% (1.00   0.02   0.02) =  87.274%  kept
          HA    LYS+  74 - HN    THR   94  10.45 +/- 1.92  17.813% * 33.1992% (0.61   0.02   0.02) =  11.954%  kept
          HA    HIS  122 - HN    THR   94  18.62 +/- 2.51   3.133% * 12.1862% (0.22   0.02   0.02) =   0.772%  kept
    Distance limit 3.82 A violated in 19 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 41.9:
          HN    VAL  107 - HN    PHE   95   3.75 +/- 0.53  96.852% * 99.0525% (0.97   2.00  41.95) =  99.969%  kept
          HN    GLY   51 - HN    PHE   95  14.44 +/- 2.62   3.148% *  0.9475% (0.92   0.02   0.02) =   0.031%
    Distance limit 4.02 A violated in 0 structures by 0.09 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   3.06 +/- 0.52  90.349% * 99.3370% (0.87   3.86  73.46) =  99.961%  kept
          HN    ALA   47 - HN    PHE   95  10.33 +/- 1.95   5.690% *  0.5149% (0.87   0.02   0.02) =   0.033%
          QE    PHE   72 - HN    PHE   95  10.20 +/- 1.78   3.961% *  0.1480% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.92 +/- 0.03 100.000% *100.0000% (1.00  10.0   4.33  73.46) = 100.000%  kept
    Distance limit 4.35 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 = 14.8:
      O   HA    THR   94 - HN    PHE   95   2.28 +/- 0.13  97.624% * 99.8515% (0.65  10.0   3.16  14.82) =  99.998%  kept
          HA    LYS+  74 - HN    PHE   95  12.20 +/- 2.34   0.875% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.18 +/- 0.32   1.502% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.99, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.23 +/- 0.06 100.000% *100.0000% (0.95  10.0   3.99  11.97) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.4:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.02  96.726% * 99.9800% (0.94  10.0   4.09 115.43) =  99.999%  kept
          HA    PHE   72 - HN    MET   96  10.64 +/- 2.87   3.274% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.87, residual support = 59.6:
        T HN    ASP- 105 - HN    PHE   97   3.56 +/- 0.62  97.017% * 99.9802% (1.00 10.00   4.87  59.63) =  99.999%  kept
          HN    ALA   88 - HN    PHE   97  18.40 +/- 5.96   2.983% *  0.0198% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.06 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.802, support = 4.01, residual support = 61.3:
          QD    PHE   97 - HN    PHE   97   3.04 +/- 0.74  79.455% * 93.6986% (0.80   4.07  62.24) =  98.521%  kept
          HZ3   TRP   87 - HN    PHE   97  16.84 +/- 8.87  19.009% *  5.8408% (0.87   0.23   0.02) =   1.469%  kept
          HE3   TRP   49 - HN    PHE   97  20.29 +/- 5.20   1.536% *  0.4606% (0.80   0.02   0.02) =   0.009%
    Distance limit 3.59 A violated in 0 structures by 0.09 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.04, residual support = 11.2:
          HA    LYS+ 106 - HN    PHE   97   3.16 +/- 0.47 100.000% *100.0000% (0.98   3.04  11.23) = 100.000%  kept
    Distance limit 4.38 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 = 44.3:
      O   HA    MET   96 - HN    PHE   97   2.26 +/- 0.08  99.134% * 99.9800% (0.99  10.0   6.07  44.29) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  12.75 +/- 3.47   0.866% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 5.4, residual support = 22.8:
        T HN    VAL   41 - HN    LEU   98   5.82 +/- 4.00 100.000% *100.0000% (0.69 10.00   5.40  22.81) = 100.000%  kept
    Distance limit 4.01 A violated in 5 structures by 2.13 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.03, residual support = 76.7:
      O   HA    LEU   98 - HN    LEU   98   2.92 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.03  76.74) = 100.000%  kept
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 521 (5.36, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.36, residual support = 10.7:
      O   HA    PHE   97 - HN    LEU   98   2.21 +/- 0.03 100.000% *100.0000% (0.98  10.0   3.36  10.68) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.495, support = 1.53, residual support = 5.37:
          HA    LEU   40 - HN    LEU   98   7.45 +/- 4.20  26.709% * 68.6035% (0.53   2.03   9.04) =  57.959%  kept
          HA    VAL   42 - HN    LEU   98   5.25 +/- 3.01  52.441% * 24.8889% (0.45   0.86   0.32) =  41.285%  kept
          HA    THR   46 - HN    LEU   98  15.98 +/- 1.68   7.723% *  1.2746% (0.99   0.02   0.02) =   0.311%  kept
          HA    SER   37 - HN    LEU   98  15.07 +/- 3.23   3.948% *  1.2410% (0.97   0.02   0.02) =   0.155%  kept
          HA    GLN   17 - HN    LEU   98  17.60 +/- 4.95   2.386% *  1.2410% (0.97   0.02   0.02) =   0.094%
          HA    PRO   58 - HN    LEU   98  17.85 +/- 2.71   2.946% *  0.8833% (0.69   0.02   0.02) =   0.082%
          HA    GLU-  15 - HN    LEU   98  18.52 +/- 4.50   2.327% *  0.9338% (0.73   0.02   0.02) =   0.069%
          HA    SER   13 - HN    LEU   98  22.83 +/- 3.71   1.520% *  0.9338% (0.73   0.02   0.02) =   0.045%
    Distance limit 4.49 A violated in 4 structures by 1.17 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.82, support = 1.2, residual support = 1.38:
          HN    LYS+ 102 - HN    LYS+  99   3.55 +/- 0.74  64.496% * 58.5752% (0.95   0.85   1.55) =  83.737%  kept
          HN    ASP- 105 - HN    LYS+  99   6.03 +/- 0.55  18.737% * 38.8524% (0.18   3.04   0.52) =  16.135%  kept
          HN    GLU-  36 - HN    LYS+  99  14.60 +/- 4.32   2.067% *  1.1670% (0.80   0.02   0.02) =   0.053%
          HN    THR   39 - HN    LYS+  99  11.95 +/- 5.16   3.761% *  0.5470% (0.38   0.02   0.02) =   0.046%
          HD1   TRP   87 - HN    LYS+  99  20.87 +/- 7.14   1.164% *  0.5991% (0.41   0.02   0.02) =   0.015%
          HN    GLU-  36 - HN    GLN   30   9.38 +/- 0.59   4.239% *  0.0767% (0.05   0.02   0.02) =   0.007%
          HN    THR   39 - HN    GLN   30  11.40 +/- 1.79   2.820% *  0.0359% (0.02   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    GLN   30  16.76 +/- 5.28   1.104% *  0.0906% (0.06   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLN   30  23.27 +/- 7.12   0.783% *  0.0394% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  18.34 +/- 3.98   0.830% *  0.0168% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.17 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   2.29 +/- 0.11  99.443% * 99.9934% (0.99  10.0   4.26  17.73) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  15.67 +/- 4.30   0.557% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 173.9:
      O   HA    LYS+  99 - HN    LYS+  99   2.92 +/- 0.02  88.039% * 99.5300% (0.80  10.0   5.23 173.87) =  99.995%  kept
          HA    ASN   35 - HN    LYS+  99  12.74 +/- 4.88   3.228% *  0.0804% (0.65   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    LYS+  99  20.89 +/- 7.46   0.601% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.70 +/- 2.14   0.243% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  19.01 +/- 2.71   0.368% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  21.40 +/- 2.05   0.244% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  22.37 +/- 8.28   0.859% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.48 +/- 4.87   1.934% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.30 +/- 0.82   2.161% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  22.76 +/- 6.10   1.221% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.11 +/- 3.59   0.449% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  26.82 +/- 4.29   0.161% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  23.70 +/- 2.93   0.202% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  26.04 +/- 6.94   0.289% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.39 +/- 0.42  80.716% * 99.9027% (1.00 10.00   3.61  14.93) =  99.977%  kept
          HN    LEU   40 - HN    GLU- 100   9.32 +/- 6.62  19.284% *  0.0973% (0.14  1.00   0.14   0.02) =   0.023%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 38.3:
      O   HA    LYS+  99 - HN    GLU- 100   2.23 +/- 0.07  75.913% * 99.2337% (0.99  10.0   6.83  38.37) =  99.898%  kept
          HA    LEU   40 - HN    GLU- 100   7.46 +/- 6.69  18.824% *  0.3832% (0.20   1.0   0.39   0.02) =   0.096%
          HA    ASN   35 - HN    GLU- 100  10.41 +/- 5.60   4.787% *  0.0924% (0.92   1.0   0.02   0.02) =   0.006%
          HA    LEU  123 - HN    GLU- 100  21.69 +/- 8.01   0.223% *  0.0802% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.22 +/- 2.13   0.070% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.43 +/- 2.35   0.070% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.45 +/- 3.08   0.113% *  0.0309% (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 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   2.39 +/- 0.71  93.168% * 98.8223% (0.95   3.13  12.50) =  99.981%  kept
          HN    THR   39 - HN    GLY  101  11.75 +/- 6.57   2.874% *  0.2508% (0.38   0.02   0.02) =   0.008%
          HN    GLU-  36 - HN    GLY  101  13.78 +/- 5.85   1.268% *  0.5351% (0.80   0.02   0.02) =   0.007%
          HN    ASP- 105 - HN    GLY  101   9.52 +/- 0.51   2.247% *  0.1170% (0.18   0.02   0.02) =   0.003%
          HD1   TRP   87 - HN    GLY  101  22.97 +/- 7.36   0.442% *  0.2747% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.22 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 = 0.849, residual support = 1.55:
          HN    LYS+  99 - HN    LYS+ 102   3.55 +/- 0.74  89.041% * 94.5883% (0.98   0.85   1.55) =  99.878%  kept
          HE1   HIS  122 - HN    LYS+ 102  19.17 +/- 7.97   2.612% *  2.1484% (0.95   0.02   0.02) =   0.067%
          HN    ASN   35 - HN    LYS+ 102  13.85 +/- 5.64   4.980% *  0.3504% (0.15   0.02   0.02) =   0.021%
          HN    GLU-  14 - HN    LYS+ 102  23.97 +/- 5.46   0.836% *  1.8970% (0.84   0.02   0.02) =   0.019%
          HN    GLN   30 - HN    LYS+ 102  16.76 +/- 5.28   1.603% *  0.5663% (0.25   0.02   0.02) =   0.011%
          HN    ASP-  86 - HN    LYS+ 102  23.61 +/- 7.32   0.927% *  0.4495% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.67 A violated in 1 structures by 0.19 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.39 +/- 0.71  94.209% * 99.9864% (1.00 10.00   3.13  12.50) =  99.999%  kept
          HN    LEU   40 - HN    LYS+ 102  12.70 +/- 5.74   5.791% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 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   3.39 +/- 0.42 100.000% *100.0000% (0.80 10.00   3.61  14.93) = 100.000%  kept
    Distance limit 4.21 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 = 0.979, support = 1.41, residual support = 1.36:
          HA    LYS+  99 - HN    GLY  101   4.31 +/- 0.50  64.151% * 90.2488% (0.99   1.43   1.39) =  98.219%  kept
          HA    LEU   40 - HN    GLY  101   9.86 +/- 6.57  17.136% *  4.8770% (0.20   0.39   0.02) =   1.418%  kept
          HA    ASN   35 - HN    GLY  101  11.89 +/- 6.49  16.514% *  1.1760% (0.92   0.02   0.02) =   0.329%  kept
          HA    LEU  123 - HN    GLY  101  23.58 +/- 8.17   0.854% *  1.0201% (0.80   0.02   0.02) =   0.015%
          HA    ASP- 113 - HN    GLY  101  25.02 +/- 2.02   0.418% *  1.1425% (0.90   0.02   0.02) =   0.008%
          HA    ILE   56 - HN    GLY  101  24.62 +/- 2.36   0.388% *  1.1425% (0.90   0.02   0.02) =   0.008%
          HA    PHE   59 - HN    GLY  101  22.09 +/- 3.20   0.539% *  0.3932% (0.31   0.02   0.02) =   0.004%
    Distance limit 4.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.70 +/- 0.20  94.137% * 99.5220% (1.00  10.0   2.86  15.43) =  99.995%  kept
          HA    ALA   34 - HN    GLY  101  12.68 +/- 5.94   2.988% *  0.0963% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    GLY  101  15.85 +/- 5.40   1.498% *  0.0833% (0.84   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLY  101  19.82 +/- 6.01   0.503% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  20.02 +/- 2.08   0.255% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  22.05 +/- 1.91   0.191% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  24.42 +/- 7.91   0.304% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  26.51 +/- 3.41   0.124% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.64, residual support = 38.4:
          HN    LEU  104 - HN    ILE  103   4.61 +/- 0.05  97.660% * 99.3968% (0.49   6.64  38.45) =  99.985%  kept
          HN    PHE   72 - HN    ILE  103  17.41 +/- 3.73   2.340% *  0.6032% (0.98   0.02   0.02) =   0.015%
    Distance limit 4.53 A violated in 0 structures by 0.09 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 23.0:
      O   HA    LYS+ 102 - HN    ILE  103   2.33 +/- 0.18  98.201% * 99.7796% (0.97  10.0   5.98  23.01) =  99.999%  kept
          HA    CYS   21 - HN    ILE  103  20.27 +/- 5.35   0.765% *  0.0710% (0.69   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    ILE  103  26.69 +/- 5.65   0.241% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.48 +/- 1.14   0.255% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.77 +/- 4.19   0.275% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.44 +/- 5.23   0.263% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.01, residual support = 138.6:
      O   HA    ILE  103 - HN    ILE  103   2.81 +/- 0.06  94.568% * 99.2916% (0.98  10.0   7.01 138.60) =  99.996%  kept
          HA    THR   39 - HN    ILE  103  14.73 +/- 4.43   1.669% *  0.0846% (0.84   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ILE  103  14.74 +/- 1.57   0.752% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ILE  103  22.79 +/- 7.45   0.380% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  20.62 +/- 2.18   0.273% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  22.63 +/- 3.39   0.252% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  21.26 +/- 8.58   0.713% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.32 +/- 4.49   0.177% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  30.73 +/- 5.14   0.146% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  21.81 +/- 2.66   0.261% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  25.25 +/- 4.67   0.498% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  28.93 +/- 5.22   0.311% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 7.01, residual support = 36.0:
        T HN    ASP- 105 - HN    LEU  104   2.21 +/- 0.13  99.721% * 99.9802% (1.00 10.00   7.01  35.97) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  21.75 +/- 6.57   0.279% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 3.55, residual support = 9.41:
          HA    LEU   98 - HN    LEU  104   2.75 +/- 0.78 100.000% *100.0000% (0.80   3.55   9.41) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.08 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.65, residual support = 38.4:
      O   HA    ILE  103 - HN    LEU  104   2.27 +/- 0.09  97.047% * 99.2645% (0.95  10.0   6.65  38.45) =  99.998%  kept
          HA    ASP-  44 - HN    LEU  104  12.50 +/- 1.73   0.672% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU  104  13.43 +/- 3.41   0.671% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  23.01 +/- 6.40   0.189% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  19.51 +/- 2.23   0.179% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  22.11 +/- 3.45   0.239% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  21.63 +/- 7.35   0.268% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  24.93 +/- 4.26   0.147% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.63 +/- 4.59   0.059% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.64 +/- 2.71   0.307% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.77 +/- 3.79   0.136% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.63 +/- 4.36   0.086% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 4.87, residual support = 59.6:
        T HN    PHE   97 - HN    ASP- 105   3.56 +/- 0.62  95.462% * 99.7623% (0.73 10.00   4.87  59.63) =  99.996%  kept
          HN    LEU  115 - HN    ASP- 105  13.34 +/- 2.21   3.041% *  0.0998% (0.73  1.00   0.02   0.02) =   0.003%
          HN    ASN   35 - HN    ASP- 105  16.94 +/- 2.51   1.266% *  0.0382% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    ASP- 105  29.27 +/- 3.99   0.230% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.11 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.01, residual support = 36.0:
        T HN    LEU  104 - HN    ASP- 105   2.21 +/- 0.13  99.634% * 99.9822% (0.87 10.00   7.01  35.97) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  15.53 +/- 3.34   0.366% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.18, residual support = 134.9:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.89 +/- 0.02 100.000% *100.0000% (0.95  10.0   5.18 134.86) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 23.9:
      O   HA    ASP- 105 - HN    LYS+ 106   2.69 +/- 0.27  97.045% * 99.6913% (0.92  10.0   3.49  23.85) =  99.997%  kept
          HA    LEU   80 - HN    LYS+ 106  21.83 +/- 4.29   1.103% *  0.1022% (0.95   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    LYS+ 106  24.88 +/- 5.93   0.559% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    LYS+ 106  23.40 +/- 6.07   0.881% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    LYS+ 106  21.70 +/- 2.95   0.412% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.35, residual support = 42.0:
      O   HA    ASP- 105 - HN    ASP- 105   2.79 +/- 0.15  96.942% * 99.6913% (0.92  10.0   4.35  41.97) =  99.998%  kept
          HA    THR   23 - HN    ASP- 105  21.82 +/- 6.35   1.592% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ASP- 105  23.12 +/- 6.11   0.753% *  0.1078% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    ASP- 105  21.70 +/- 3.76   0.430% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  22.19 +/- 2.46   0.283% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.392, support = 5.81, residual support = 30.7:
      O   HA    LEU  104 - HN    ASP- 105   3.58 +/- 0.04  54.860% * 77.0479% (0.34  10.0   6.39  35.97) =  83.413%  kept
          HA    ILE  103 - HN    ASP- 105   4.05 +/- 0.34  38.981% * 21.5408% (0.65   1.0   2.95   3.98) =  16.570%  kept
          HA    ASP-  44 - HN    ASP- 105  11.80 +/- 1.66   1.798% *  0.1887% (0.84   1.0   0.02   0.02) =   0.007%
          HA    ASP-  86 - HN    ASP- 105  21.33 +/- 7.08   0.582% *  0.1809% (0.80   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    ASP- 105  22.56 +/- 6.32   0.531% *  0.1726% (0.76   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ASP- 105  18.95 +/- 2.30   0.437% *  0.1726% (0.76   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ASP- 105  22.02 +/- 3.74   0.822% *  0.0628% (0.28   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  14.62 +/- 2.77   0.999% *  0.0503% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP- 105  24.52 +/- 3.37   0.246% *  0.1640% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP- 105  28.46 +/- 4.06   0.156% *  0.1887% (0.84   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  30.52 +/- 4.39   0.113% *  0.1959% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  23.59 +/- 4.48   0.474% *  0.0349% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 5.62:
          QD    PHE   97 - HN    VAL  107   4.22 +/- 0.86  86.128% * 99.0099% (0.87   2.25   5.63) =  99.908%  kept
          HZ3   TRP   87 - HN    VAL  107  16.96 +/- 6.78   8.485% *  0.8124% (0.80   0.02   0.02) =   0.081%
          HE3   TRP   49 - HN    VAL  107  17.68 +/- 4.85   5.387% *  0.1777% (0.18   0.02   0.02) =   0.011%
    Distance limit 4.53 A violated in 1 structures by 0.24 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   2.25 +/- 0.09 100.000% *100.0000% (0.98  10.0   4.58  26.29) = 100.000%  kept
    Distance limit 3.19 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 = 60.0:
      O   HA    VAL  107 - HN    VAL  107   2.93 +/- 0.01  94.337% * 99.7406% (0.95  10.0   3.65  60.04) =  99.998%  kept
          HA    ALA   91 - HN    VAL  107  14.48 +/- 0.91   0.823% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107   9.48 +/- 1.18   3.228% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  18.73 +/- 3.09   0.483% *  0.0997% (0.95   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  107  16.05 +/- 3.31   1.128% *  0.0360% (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 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.82, residual support = 59.6:
          QD    PHE   97 - HN    ASP- 105   3.70 +/- 0.66  86.307% * 99.6153% (0.87   5.83  59.63) =  99.973%  kept
          HZ3   TRP   87 - HN    ASP- 105  19.14 +/- 9.31   5.603% *  0.3157% (0.80   0.02   0.02) =   0.021%
          HE3   TRP   49 - HN    ASP- 105  22.45 +/- 6.42   8.090% *  0.0690% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.466, residual support = 0.0914:
          HA    LYS+  74 - HN    GLY  109  17.02 +/- 2.63   4.828% * 97.2925% (0.74   0.58   0.11) =  79.793%  kept
          HA    THR   94 - HN    GLY  109   5.45 +/- 2.39  74.444% *  1.1699% (0.26   0.02   0.02) =  14.794%  kept
          HA    MET   92 - HN    GLY  109   8.83 +/- 3.28  20.728% *  1.5376% (0.34   0.02   0.02) =   5.414%  kept
    Distance limit 4.47 A violated in 5 structures by 1.28 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.541, support = 2.19, residual support = 8.42:
      O   HA1   GLY  109 - HN    GLY  109   2.75 +/- 0.24  35.347% * 65.3020% (0.73  10.0   1.76   9.31) =  51.832%  kept
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.05  62.293% * 34.4336% (0.34  10.0   2.66   7.47) =  48.165%  kept
          HA    CYS   50 - HN    GLY  109  13.20 +/- 3.62   0.729% *  0.0753% (0.74   1.0   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    GLY  109  12.27 +/- 2.51   1.113% *  0.0435% (0.43   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    GLY  109  16.05 +/- 3.54   0.355% *  0.0666% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY  109  23.30 +/- 2.47   0.061% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.11 +/- 0.85   0.102% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 3.04, residual support = 9.1:
          HN    LYS+ 111 - HN    ALA  110   3.41 +/- 0.76  86.716% * 97.3074% (0.90   3.04   9.11) =  99.906%  kept
          HN    ILE   56 - HN    ALA  110   9.52 +/- 2.11   7.270% *  0.7000% (0.98   0.02   2.34) =   0.060%
          HN    ALA   84 - HN    ALA  110  18.42 +/- 4.18   2.388% *  0.6404% (0.90   0.02   0.02) =   0.018%
          HN    LEU   63 - HN    ALA  110  15.00 +/- 2.24   1.504% *  0.6592% (0.92   0.02   0.02) =   0.012%
          HZ2   TRP   87 - HN    ALA  110  18.38 +/- 4.21   1.456% *  0.1251% (0.18   0.02   0.02) =   0.002%
          HD21  ASN   28 - HN    ALA  110  23.62 +/- 4.47   0.473% *  0.2204% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  30.85 +/- 3.38   0.193% *  0.3476% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.691, support = 2.03, residual support = 6.17:
      O   HA1   GLY  109 - HN    ALA  110   3.30 +/- 0.43  59.295% * 93.8843% (0.69  10.0   2.07   6.40) =  96.329%  kept
          HA    VAL  108 - HN    ALA  110   4.65 +/- 1.19  36.661% *  5.7754% (0.80   1.0   1.06   0.02) =   3.664%  kept
          HA    ALA   47 - HN    ALA  110  12.80 +/- 2.63   1.707% *  0.1226% (0.90   1.0   0.02   0.02) =   0.004%
          HA    CYS   50 - HN    ALA  110  13.17 +/- 2.98   1.399% *  0.0992% (0.73   1.0   0.02   0.02) =   0.002%
          HA    TRP   49 - HN    ALA  110  16.06 +/- 2.94   0.755% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  24.25 +/- 3.38   0.184% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.73, residual support = 9.57:
      O   HA    ALA  110 - HN    ALA  110   2.50 +/- 0.31  87.211% * 98.1886% (0.18  10.0   2.74   9.58) =  99.928%  kept
          HA    VAL  107 - HN    ALA  110   7.17 +/- 1.32   9.536% *  0.5304% (0.95   1.0   0.02   0.02) =   0.059%
          HA    ALA   91 - HN    ALA  110  12.01 +/- 3.36   1.235% *  0.5594% (1.00   1.0   0.02   0.02) =   0.008%
          HA    PRO   52 - HN    ALA  110  11.16 +/- 2.59   1.905% *  0.1912% (0.34   1.0   0.02   0.02) =   0.004%
          HA    TRP   27 - HN    ALA  110  23.95 +/- 2.68   0.113% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.9:
        T HN    LYS+ 112 - HN    LYS+ 111   3.94 +/- 0.58  88.121% * 99.8172% (0.99 10.00   5.34  28.92) =  99.997%  kept
          HN    ASP-  78 - HN    LYS+ 111  18.45 +/- 5.10   8.165% *  0.0155% (0.15  1.00   0.02   0.02) =   0.001%
          HN    LYS+  74 - HN    LYS+ 111  20.17 +/- 3.71   1.113% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    THR   46 - HN    LYS+ 111  14.03 +/- 1.79   2.466% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    LYS+ 111  37.75 +/- 5.09   0.136% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.11:
        T HN    ALA  110 - HN    LYS+ 111   3.41 +/- 0.76  96.682% * 99.9053% (1.00 10.00   3.04   9.11) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111  11.92 +/- 2.27   3.318% *  0.0947% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 4.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.79, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.71 +/- 2.28  42.225% * 58.2608% (1.00   0.02   0.02) =  67.493%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.85 +/- 1.50  39.349% * 19.8732% (0.34   0.02   0.02) =  21.454%  kept
          HD2   HIS  122 - HN    LYS+ 111  15.29 +/- 1.78  18.425% * 21.8659% (0.38   0.02   0.02) =  11.053%  kept
    Distance limit 4.54 A violated in 20 structures by 5.34 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 = 9.1:
      O   HA    ALA  110 - HN    LYS+ 111   2.99 +/- 0.42  77.810% * 99.3312% (0.45  10.0   3.04   9.11) =  99.944%  kept
          HA    VAL  107 - HN    LYS+ 111   7.13 +/- 2.21  18.206% *  0.2138% (0.97   1.0   0.02   0.02) =   0.050%
          HA    ALA   91 - HN    LYS+ 111  13.90 +/- 3.16   1.296% *  0.1922% (0.87   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    LYS+ 111  11.66 +/- 2.10   1.825% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LYS+ 111  16.71 +/- 3.09   0.685% *  0.0756% (0.34   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  24.36 +/- 3.48   0.178% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.16 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.9:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.71 +/- 0.41  90.920% * 99.8075% (0.53  10.0   7.09  28.92) =  99.989%  kept
          HA    VAL  108 - HN    LYS+ 112   8.87 +/- 1.77   8.202% *  0.1074% (0.57   1.0   0.02   0.02) =   0.010%
          HA    ALA   47 - HN    LYS+ 112  15.27 +/- 2.45   0.877% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.45, residual support = 23.3:
        T HN    GLU- 114 - HN    ASP- 113   2.64 +/- 0.19  82.105% * 94.1834% (0.81 10.00   4.49  23.56) =  99.009%  kept
          HN    GLN  116 - HN    ASP- 113   4.93 +/- 0.45  13.656% *  5.6509% (0.76  1.00   1.27   1.90) =   0.988%  kept
          HN    THR  118 - HN    ASP- 113   8.45 +/- 0.82   2.694% *  0.0644% (0.55  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ASP- 113  11.25 +/- 1.47   1.329% *  0.0409% (0.35  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    ASP- 113  21.86 +/- 2.84   0.216% *  0.0604% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 23.6:
        T HN    ASP- 113 - HN    GLU- 114   2.64 +/- 0.19 100.000% *100.0000% (1.00 10.00   4.49  23.56) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.957, support = 3.81, residual support = 43.5:
      O   HA    GLU- 114 - HN    GLU- 114   2.79 +/- 0.05  84.199% * 88.9947% (0.97  10.0   3.80  43.90) =  98.080%  kept
          HA    LEU  115 - HN    GLU- 114   5.15 +/- 0.14  13.700% * 10.7014% (0.53   1.0   4.41  21.49) =   1.919%  kept
          HA    CYS   53 - HN    GLU- 114  11.64 +/- 1.66   1.466% *  0.0285% (0.31   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    GLU- 114  23.95 +/- 1.79   0.144% *  0.0800% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  28.11 +/- 4.41   0.125% *  0.0872% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  24.16 +/- 2.97   0.164% *  0.0633% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  24.92 +/- 4.52   0.202% *  0.0449% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 3.54:
          HA    LYS+ 111 - HN    ASP- 113   3.80 +/- 0.62  84.593% * 99.1983% (0.74   2.18   3.54) =  99.949%  kept
          HA    VAL  108 - HN    ASP- 113   9.71 +/- 1.64  10.609% *  0.2611% (0.21   0.02   0.02) =   0.033%
          HA    PRO   52 - HN    ASP- 113  12.67 +/- 1.99   3.440% *  0.3572% (0.29   0.02   0.02) =   0.015%
          HA    ALA   47 - HN    ASP- 113  16.98 +/- 2.42   1.358% *  0.1834% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.35 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   2.75 +/- 0.07  92.268% * 99.6702% (0.85  10.0   3.49  14.47) =  99.995%  kept
          HA    ILE   56 - HN    ASP- 113   8.42 +/- 1.71   5.034% *  0.0606% (0.52   1.0   0.02   0.02) =   0.003%
          HA    PHE   59 - HN    ASP- 113  11.00 +/- 1.38   1.717% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  16.94 +/- 1.44   0.426% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  22.24 +/- 2.36   0.223% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  26.97 +/- 3.74   0.131% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  22.41 +/- 2.99   0.200% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 8.18, residual support = 87.6:
        T HN    GLN  116 - HN    LEU  115   2.69 +/- 0.16  43.575% * 83.1281% (0.99 10.00   8.77 100.08) =  84.180%  kept
          HN    GLU- 114 - HN    LEU  115   2.62 +/- 0.17  47.439% * 14.0120% (0.65  1.00   5.17  21.49) =  15.448%  kept
          HN    THR  118 - HN    LEU  115   5.12 +/- 0.56   7.171% *  2.0685% (0.95  1.00   0.52   0.11) =   0.345%  kept
          HN    PHE   60 - HN    LEU  115   8.66 +/- 1.17   1.580% *  0.7552% (0.76  1.00   0.24   0.02) =   0.028%
          HN    LEU   71 - HN    LEU  115  18.32 +/- 2.57   0.185% *  0.0233% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.10 +/- 2.54   0.051% *  0.0129% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.77, residual support = 100.1:
        T HN    LEU  115 - HN    GLN  116   2.69 +/- 0.16  99.039% * 99.8619% (0.98 10.00   8.77 100.08) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  13.74 +/- 1.93   0.873% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  31.36 +/- 4.85   0.088% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.6, residual support = 28.7:
        T HN    SER  117 - HN    GLN  116   2.78 +/- 0.11  99.640% * 99.8966% (0.97 10.00   5.60  28.66) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  23.19 +/- 3.20   0.213% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  25.28 +/- 2.17   0.146% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 4.15, residual support = 16.8:
        T HN    THR  118 - HN    SER  117   2.74 +/- 0.20  46.027% * 47.7942% (0.95 10.00   2.73   5.09) =  49.883%  kept
        T HN    GLN  116 - HN    SER  117   2.78 +/- 0.11  43.840% * 50.0775% (0.99 10.00   5.60  28.66) =  49.782%  kept
          HN    GLU- 114 - HN    SER  117   4.91 +/- 0.46   8.258% *  1.7204% (0.65  1.00   1.05   0.91) =   0.322%  kept
        T HN    PHE   60 - HN    SER  117  10.02 +/- 1.28   1.440% *  0.3861% (0.76 10.00   0.02   0.02) =   0.013%
          HN    LEU   71 - HN    SER  117  18.03 +/- 3.56   0.368% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.53 +/- 2.67   0.067% *  0.0078% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.67, residual support = 120.4:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.088% * 99.8133% (0.95  10.0   2.67 120.41) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   9.83 +/- 1.63   0.737% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  16.91 +/- 2.26   0.129% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  24.24 +/- 4.09   0.046% *  0.0293% (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 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.896, support = 2.66, residual support = 120.3:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  91.393% * 98.4674% (0.90  10.0 10.00   2.67 120.41) =  99.899%  kept
          HN    ALA  120 - HE22  GLN  116   5.72 +/- 1.77   6.463% *  1.3911% (0.98   1.0  1.00   0.26   0.15) =   0.100%
          HN    ALA   57 - HE22  GLN  116  11.54 +/- 2.48   0.738% *  0.0917% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HN    ALA  124 - HE22  GLN  116   9.17 +/- 2.45   1.373% *  0.0192% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  26.55 +/- 3.85   0.033% *  0.0305% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.21, residual support = 1.89:
          HA    ASP- 113 - HN    GLN  116   3.69 +/- 0.32  72.163% * 94.8361% (1.00   1.22   1.90) =  99.622%  kept
          HA    PHE   59 - HN    GLN  116   7.27 +/- 1.03  12.166% *  0.9486% (0.61   0.02   0.50) =   0.168%  kept
          HA    ILE   56 - HN    GLN  116   7.15 +/- 1.03  12.114% *  0.9486% (0.61   0.02   0.02) =   0.167%  kept
          HA    LEU  123 - HN    GLN  116  12.58 +/- 0.85   2.070% *  0.7613% (0.49   0.02   0.02) =   0.023%
          HA    LYS+  99 - HN    GLN  116  19.75 +/- 1.90   0.553% *  1.2524% (0.80   0.02   0.02) =   0.010%
          HA    ASN   35 - HN    GLN  116  23.60 +/- 3.60   0.558% *  1.0118% (0.65   0.02   0.02) =   0.008%
          HA    TRP   87 - HN    GLN  116  23.51 +/- 2.78   0.376% *  0.2413% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.37 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 = 6.86, residual support = 120.4:
      O   HA    GLN  116 - HN    GLN  116   2.72 +/- 0.04  97.631% * 99.5202% (1.00  10.0   6.86 120.41) =  99.998%  kept
          HA    VAL   70 - HN    GLN  116  17.23 +/- 3.33   0.665% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLN  116  19.81 +/- 3.03   0.325% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  25.99 +/- 3.74   0.143% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  26.41 +/- 4.42   0.171% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  23.26 +/- 4.14   0.240% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  18.51 +/- 3.10   0.461% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  25.96 +/- 2.67   0.128% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  22.33 +/- 4.09   0.235% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 7.1, residual support = 175.8:
      O   HA    LEU  115 - HN    LEU  115   2.80 +/- 0.05  65.810% * 60.5049% (1.00  10.0   7.78 223.90) =  76.247%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.06  31.618% * 39.2280% (0.65  10.0   4.90  21.49) =  23.751%  kept
          HA    ARG+  54 - HN    LEU  115  12.08 +/- 1.94   1.331% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LEU  115  23.02 +/- 4.40   0.238% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  15.39 +/- 1.21   0.425% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  22.09 +/- 2.94   0.175% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.69 +/- 1.67   0.130% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  26.11 +/- 4.20   0.130% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  22.94 +/- 2.74   0.144% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.65, residual support = 15.4:
      O   HA    SER  117 - HN    SER  117   2.75 +/- 0.05  98.489% * 99.4282% (0.38  10.0   3.65  15.42) =  99.996%  kept
          HA    ASP-  62 - HN    SER  117  13.85 +/- 1.61   1.180% *  0.2506% (0.95   1.0   0.02   0.02) =   0.003%
          HB    THR   26 - HN    SER  117  25.96 +/- 5.14   0.219% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  27.43 +/- 2.74   0.112% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.84, residual support = 53.1:
        T HN    ILE  119 - HN    ALA  120   2.46 +/- 0.21  99.139% * 99.2864% (0.83 10.00   5.84  53.09) =  99.997%  kept
        T HN    CYS   21 - HN    ALA  120  21.15 +/- 3.84   0.556% *  0.4963% (0.41 10.00   0.02   0.02) =   0.003%
          HN    SER   37 - HN    ALA  120  22.04 +/- 4.55   0.213% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  26.05 +/- 1.99   0.093% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.75, residual support = 55.1:
          HN    HIS  122 - HN    LYS+ 121   2.84 +/- 0.27  87.604% * 99.4555% (0.80   6.75  55.07) =  99.987%  kept
          QE    PHE   59 - HN    LYS+ 121   5.99 +/- 0.55  10.637% *  0.0735% (0.20   0.02   0.02) =   0.009%
          HN    PHE   59 - HN    LYS+ 121  11.15 +/- 1.08   1.595% *  0.1788% (0.49   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LYS+ 121  27.76 +/- 6.02   0.163% *  0.2922% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.254, support = 6.2, residual support = 38.9:
          HN    LEU  123 - HN    HIS  122   2.51 +/- 0.30  83.455% * 91.4585% (0.26   6.28  39.61) =  98.289%  kept
          HN    ALA  124 - HN    HIS  122   4.67 +/- 0.41  16.041% *  8.2810% (0.09   1.66   0.02) =   1.711%  kept
          HE21  GLN   17 - HN    HIS  122  19.59 +/- 4.39   0.314% *  0.1368% (0.12   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HN    HIS  122  21.85 +/- 3.49   0.190% *  0.1237% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.28, residual support = 39.6:
          HN    HIS  122 - HN    LEU  123   2.51 +/- 0.30  94.503% * 99.1906% (0.87   6.28  39.61) =  99.987%  kept
          QE    PHE   59 - HN    LEU  123   7.44 +/- 0.65   4.368% *  0.1915% (0.53   0.02   0.02) =   0.009%
          HN    PHE   59 - HN    LEU  123  11.66 +/- 1.43   1.040% *  0.3264% (0.90   0.02   0.02) =   0.004%
          HH2   TRP   87 - HN    LEU  123  29.69 +/- 5.88   0.089% *  0.2915% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.21, residual support = 11.5:
      O   HA    LEU  123 - HN    ALA  124   3.61 +/- 0.02  89.242% * 99.5133% (1.00  10.0   4.21  11.54) =  99.992%  kept
          HA    ILE   56 - HN    ALA  124  15.14 +/- 1.88   1.504% *  0.0989% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASP- 113 - HN    ALA  124  13.14 +/- 1.79   2.549% *  0.0565% (0.57   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    ALA  124  20.19 +/- 6.95   1.412% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ALA  124  16.53 +/- 5.66   1.880% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    ALA  124  22.20 +/- 5.41   0.785% *  0.0978% (0.98   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    ALA  124  14.64 +/- 1.89   1.664% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ALA  124  21.23 +/- 3.36   0.535% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.70 +/- 4.36   0.428% *  0.0308% (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 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.79, residual support = 9.01:
      O   HA    ALA  124 - HN    ALA  124   2.64 +/- 0.29  96.510% * 99.5685% (1.00  10.0   1.79   9.01) =  99.998%  kept
          HA    LEU  115 - HN    ALA  124  12.05 +/- 0.66   1.130% *  0.0500% (0.45   1.0   0.02   0.02) =   0.001%
          HA    GLU-  36 - HN    ALA  124  24.14 +/- 5.64   0.413% *  0.0766% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  19.26 +/- 2.06   0.285% *  0.1076% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  20.87 +/- 5.13   0.872% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  25.02 +/- 6.42   0.460% *  0.0543% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  31.49 +/- 2.68   0.068% *  0.0893% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  24.91 +/- 7.02   0.261% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 39.6:
      O   HA    HIS  122 - HN    LEU  123   3.44 +/- 0.33  97.040% * 99.8702% (1.00  10.0   4.91  39.61) =  99.998%  kept
          HA    VAL   41 - HN    LEU  123  15.68 +/- 5.14   1.942% *  0.0800% (0.80   1.0   0.02   0.02) =   0.002%
          HA    PHE   45 - HN    LEU  123  20.19 +/- 2.43   0.580% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  21.75 +/- 1.66   0.438% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 6.2, residual support = 204.8:
      O   HA    LEU  123 - HN    LEU  123   2.84 +/- 0.09  92.803% * 99.5133% (1.00  10.0   6.20 204.81) =  99.995%  kept
          HA    ILE   56 - HN    LEU  123  13.82 +/- 1.75   1.078% *  0.0989% (0.99   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    LEU  123  18.56 +/- 7.13   0.926% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    LEU  123  14.54 +/- 5.82   1.504% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  13.01 +/- 1.45   1.160% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  13.00 +/- 1.95   1.441% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    LEU  123  20.28 +/- 5.20   0.454% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  19.37 +/- 3.47   0.364% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  22.96 +/- 4.13   0.271% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.73, residual support = 76.1:
          HD2   HIS  122 - HN    HIS  122   2.71 +/- 0.45  94.450% * 97.2343% (0.11   6.73  76.08) =  99.975%  kept
          HE22  GLN  116 - HN    HIS  122   9.42 +/- 2.14   4.638% *  0.3195% (0.12   0.02   0.02) =   0.016%
          HE22  GLN   17 - HN    HIS  122  19.96 +/- 4.17   0.488% *  0.9180% (0.35   0.02   0.02) =   0.005%
          HE22  GLN   32 - HN    HIS  122  25.64 +/- 5.95   0.332% *  0.8124% (0.31   0.02   0.02) =   0.003%
          HE22  GLN   90 - HN    HIS  122  29.94 +/- 2.29   0.091% *  0.7158% (0.27   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.25, residual support = 76.1:
      O   HA    HIS  122 - HN    HIS  122   2.86 +/- 0.06  98.166% * 99.8131% (0.30  10.0   5.25  76.08) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  14.31 +/- 4.91   1.427% *  0.1192% (0.35   1.0   0.02   0.02) =   0.002%
          HA    PHE   45 - HN    HIS  122  18.82 +/- 2.58   0.407% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.608, support = 5.19, residual support = 181.3:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.74 +/- 0.06  62.554% * 38.4533% (0.49  10.0   6.43 312.54) =  57.669%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.56 +/- 0.03  28.854% * 61.1842% (0.77  10.0   3.49   2.62) =  42.326%  kept
          QB    SER  117 - HN    LYS+ 121   5.91 +/- 0.50   6.850% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    LYS+ 121  16.99 +/- 2.21   0.413% *  0.0569% (0.72   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    LYS+ 121  19.53 +/- 3.78   0.272% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  17.66 +/- 1.94   0.256% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  21.64 +/- 3.62   0.194% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  22.35 +/- 2.46   0.145% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  27.44 +/- 3.48   0.077% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.57 +/- 2.23   0.154% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  22.80 +/- 5.15   0.173% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  28.89 +/- 1.98   0.056% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.734, support = 3.58, residual support = 13.0:
      O   HA    ALA  120 - HN    ALA  120   2.76 +/- 0.05  75.073% * 91.2836% (0.74  10.0   3.58  13.15) =  98.651%  kept
          HA    LYS+ 121 - HN    ALA  120   5.19 +/- 0.15  11.587% *  8.0572% (0.35   1.0   3.77   2.62) =   1.344%  kept
          QB    SER  117 - HN    ALA  120   5.28 +/- 0.21  10.951% *  0.0154% (0.12   1.0   0.02   5.14) =   0.002%
          HA    LYS+  65 - HN    ALA  120  16.49 +/- 1.96   0.466% *  0.1137% (0.92   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    ALA  120  20.24 +/- 3.95   0.290% *  0.1137% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  20.63 +/- 3.71   0.307% *  0.0645% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  17.07 +/- 1.34   0.337% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.05 +/- 2.19   0.233% *  0.0600% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  26.85 +/- 3.01   0.103% *  0.1137% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  20.72 +/- 2.28   0.211% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  23.93 +/- 4.84   0.172% *  0.0389% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  22.12 +/- 3.17   0.195% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  28.00 +/- 1.92   0.075% *  0.0352% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.339, support = 3.45, residual support = 120.4:
      O   HG3   GLN  116 - HE22  GLN  116   3.53 +/- 0.52  42.236% * 62.0774% (0.41  10.0   3.23 120.41) =  55.334%  kept
      O   HG2   GLN  116 - HE22  GLN  116   3.17 +/- 0.67  56.207% * 37.6518% (0.25  10.0   3.72 120.41) =  44.663%  kept
          HG2   GLU-  25 - HE22  GLN  116  30.58 +/- 7.19   0.407% *  0.1507% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   PHE   95 - HE22  GLN  116  12.90 +/- 1.92   1.020% *  0.0466% (0.31   1.0   0.02   0.02) =   0.001%
          HB3   TRP   87 - HE22  GLN  116  25.21 +/- 3.00   0.130% *  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 = 4.22, residual support = 11.5:
          HB2   LEU  123 - HN    ALA  124   2.34 +/- 0.44  91.087% * 91.2327% (0.76   4.24  11.54) =  99.592%  kept
          HB2   LYS+ 121 - HN    ALA  124   6.59 +/- 0.22   5.833% *  5.6137% (0.73   0.27   0.02) =   0.392%  kept
          QD    LYS+ 102 - HN    ALA  124  21.85 +/- 6.07   0.971% *  0.5326% (0.95   0.02   0.02) =   0.006%
          QD    LYS+  38 - HN    ALA  124  19.41 +/- 6.37   0.505% *  0.5326% (0.95   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  16.69 +/- 2.95   0.560% *  0.4302% (0.76   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    ALA  124  20.13 +/- 1.82   0.202% *  0.4508% (0.80   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA  124  19.44 +/- 1.60   0.220% *  0.2740% (0.49   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    ALA  124  29.54 +/- 3.17   0.063% *  0.4702% (0.84   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  22.38 +/- 2.12   0.139% *  0.2113% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  21.18 +/- 3.08   0.194% *  0.1404% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.92 +/- 2.96   0.225% *  0.1114% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.79, residual support = 9.01:
      O   QB    ALA  124 - HN    ALA  124   2.44 +/- 0.36  94.363% * 98.5362% (0.65  10.0   1.79   9.01) =  99.994%  kept
          HG3   LYS+  33 - HN    ALA  124  23.03 +/- 5.54   0.968% *  0.0828% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA  124  15.92 +/- 2.76   0.615% *  0.1300% (0.76   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA  124  15.41 +/- 4.54   0.690% *  0.0963% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA  124  13.48 +/- 2.43   0.784% *  0.0639% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    ALA  124  19.63 +/- 4.66   0.290% *  0.1476% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  21.13 +/- 5.86   0.293% *  0.1300% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  18.97 +/- 1.56   0.239% *  0.1526% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  18.16 +/- 2.90   0.301% *  0.0963% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  24.50 +/- 7.01   0.244% *  0.1169% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  20.83 +/- 3.16   0.235% *  0.1101% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  18.61 +/- 3.12   0.279% *  0.0828% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  26.14 +/- 1.92   0.092% *  0.1476% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  21.98 +/- 4.27   0.287% *  0.0298% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  24.06 +/- 6.08   0.249% *  0.0298% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  29.42 +/- 3.43   0.070% *  0.0473% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.972, support = 5.71, residual support = 25.3:
          HA    ALA  120 - HN    LEU  123   3.11 +/- 0.31  68.497% * 72.5015% (0.99   6.14  28.39) =  87.958%  kept
          HA    LYS+ 121 - HN    LEU  123   4.46 +/- 0.46  25.929% * 26.1913% (0.84   2.63   2.35) =  12.028%  kept
          QB    SER  117 - HN    LEU  123   9.23 +/- 0.49   2.795% *  0.1161% (0.49   0.02   0.02) =   0.006%
          HA2   GLY   16 - HN    LEU  123  17.65 +/- 4.98   0.870% *  0.1822% (0.76   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    LEU  123  16.06 +/- 2.22   0.670% *  0.1638% (0.69   0.02   0.02) =   0.002%
          QB    SER   48 - HN    LEU  123  22.36 +/- 4.28   0.381% *  0.2301% (0.97   0.02   0.02) =   0.002%
          HB    THR   94 - HN    LEU  123  19.47 +/- 2.06   0.340% *  0.2138% (0.90   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU  123  23.02 +/- 2.61   0.191% *  0.1822% (0.76   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LEU  123  28.76 +/- 3.37   0.132% *  0.1822% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  22.71 +/- 2.31   0.196% *  0.0368% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.979, support = 5.25, residual support = 37.6:
          HB3   HIS  122 - HN    LEU  123   3.50 +/- 0.70  79.224% * 80.1149% (0.99   5.46  39.61) =  94.523%  kept
          QE    LYS+ 121 - HN    LEU  123   6.90 +/- 1.10  18.739% * 19.6184% (0.76   1.73   2.35) =   5.475%  kept
          HG2   GLN   30 - HN    LEU  123  21.12 +/- 4.92   0.775% *  0.0824% (0.28   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LEU  123  24.66 +/- 7.09   0.991% *  0.0401% (0.14   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HN    LEU  123  26.72 +/- 2.68   0.270% *  0.1442% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.78, residual support = 203.7:
          HG    LEU  123 - HN    LEU  123   3.63 +/- 0.27  72.465% * 94.7608% (0.76   5.81 204.81) =  99.482%  kept
          HG3   PRO   68 - HN    LEU  123  13.51 +/- 7.14  13.178% *  2.4773% (0.87   0.13   0.02) =   0.473%  kept
          HB3   ASP- 105 - HN    LEU  123  14.69 +/- 6.57   3.147% *  0.3260% (0.76   0.02   0.02) =   0.015%
          QB    LYS+  33 - HN    LEU  123  19.53 +/- 5.21   1.760% *  0.2760% (0.65   0.02   0.02) =   0.007%
          HB    ILE  103 - HN    LEU  123  20.35 +/- 5.81   0.783% *  0.3563% (0.84   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    LEU  123  16.30 +/- 4.03   1.252% *  0.1913% (0.45   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    LEU  123  12.72 +/- 3.52   2.579% *  0.0844% (0.20   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU  123  19.08 +/- 2.37   0.604% *  0.3416% (0.80   0.02   0.02) =   0.003%
          HG12  ILE  103 - HN    LEU  123  19.32 +/- 5.64   0.844% *  0.2077% (0.49   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    LEU  123  21.48 +/- 2.90   0.503% *  0.3260% (0.76   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    LEU  123  16.98 +/- 4.92   1.106% *  0.1455% (0.34   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU  123  14.68 +/- 1.84   1.441% *  0.0577% (0.14   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU  123  28.50 +/- 1.81   0.159% *  0.2415% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU  123  27.57 +/- 3.17   0.178% *  0.2077% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.10 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.763, support = 6.19, residual support = 200.9:
      O   HB2   LEU  123 - HN    LEU  123   2.50 +/- 0.37  85.792% * 85.4274% (0.76  10.0   6.25 204.81) =  98.084%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.29 +/- 0.50  10.242% * 13.9464% (0.73   1.0   3.44   2.35) =   1.912%  kept
          QD    LYS+ 102 - HN    LEU  123  20.78 +/- 6.18   1.196% *  0.1057% (0.95   1.0   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    LEU  123  17.92 +/- 6.26   0.758% *  0.1057% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    LEU  123  15.07 +/- 2.54   0.661% *  0.0854% (0.76   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU  123  18.52 +/- 1.50   0.254% *  0.0895% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  19.07 +/- 1.43   0.257% *  0.0544% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  18.79 +/- 3.19   0.299% *  0.0279% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  27.55 +/- 3.42   0.089% *  0.0934% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  20.84 +/- 2.01   0.182% *  0.0420% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.68 +/- 2.88   0.270% *  0.0221% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.854, support = 6.65, residual support = 204.7:
          QD1   LEU  123 - HN    LEU  123   2.43 +/- 0.84  63.721% * 84.8399% (0.90   6.66 204.81) =  94.279%  kept
          QD2   LEU  123 - HN    LEU  123   3.84 +/- 0.57  22.884% * 14.2244% (0.15   6.49 204.81) =   5.677%  kept
          QG1   VAL   70 - HN    LEU  123  10.10 +/- 5.13   7.983% *  0.1951% (0.69   0.02   0.02) =   0.027%
          HB3   LEU  104 - HN    LEU  123  16.06 +/- 7.54   1.868% *  0.2814% (0.99   0.02   0.02) =   0.009%
          QD1   LEU   71 - HN    LEU  123  12.97 +/- 4.19   1.179% *  0.2547% (0.90   0.02   0.02) =   0.005%
          QG1   VAL   18 - HN    LEU  123  14.58 +/- 2.21   0.631% *  0.1608% (0.57   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU  123  11.28 +/- 3.01   1.732% *  0.0438% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.92 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 = 5.41, residual support = 39.6:
          HB2   HIS  122 - HN    LEU  123   3.80 +/- 0.50  96.975% * 99.3408% (1.00   5.41  39.61) =  99.990%  kept
          HA    LYS+ 112 - HN    LEU  123  14.29 +/- 1.53   2.189% *  0.3296% (0.90   0.02   0.02) =   0.007%
          HB    THR   46 - HN    LEU  123  20.15 +/- 2.78   0.837% *  0.3296% (0.90   0.02   0.02) =   0.003%
    Distance limit 4.92 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 = 0.238, support = 7.11, residual support = 40.0:
      O   HA    LYS+ 121 - HN    HIS  122   3.55 +/- 0.05  51.757% * 65.7606% (0.20  10.0   7.50  55.07) =  71.812%  kept
          HA    ALA  120 - HN    HIS  122   3.99 +/- 0.61  39.777% * 33.5757% (0.33   1.0   6.11   1.69) =  28.179%  kept
          QB    SER  117 - HN    HIS  122   8.07 +/- 0.47   4.670% *  0.0290% (0.09   1.0   0.02   0.02) =   0.003%
          HA2   GLY   16 - HN    HIS  122  17.62 +/- 4.55   1.075% *  0.1121% (0.34   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    HIS  122  15.71 +/- 2.01   0.705% *  0.1072% (0.33   1.0   0.02   0.02) =   0.002%
          QB    SER   48 - HN    HIS  122  21.52 +/- 3.76   0.427% *  0.0888% (0.27   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  17.88 +/- 2.39   0.474% *  0.0751% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    HIS  122  27.48 +/- 3.70   0.141% *  0.1121% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  22.46 +/- 2.43   0.238% *  0.0565% (0.17   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  21.89 +/- 2.19   0.244% *  0.0396% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  21.51 +/- 5.46   0.392% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  29.16 +/- 2.11   0.099% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.258, support = 6.22, residual support = 13.5:
          HA    ILE  119 - HN    HIS  122   3.65 +/- 0.47  67.440% * 59.3485% (0.27   6.42  15.79) =  78.371%  kept
          HA    THR  118 - HN    HIS  122   5.29 +/- 0.42  27.537% * 40.0986% (0.21   5.47   5.28) =  21.621%  kept
          HD3   PRO   58 - HN    HIS  122  13.06 +/- 2.10   2.894% *  0.0672% (0.10   0.02   0.02) =   0.004%
          HA2   GLY  109 - HN    HIS  122  17.61 +/- 3.16   1.089% *  0.0746% (0.11   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    HIS  122  19.62 +/- 2.88   0.587% *  0.1272% (0.19   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    HIS  122  24.62 +/- 2.61   0.265% *  0.1661% (0.24   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  27.28 +/- 2.51   0.188% *  0.1177% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 5.98, residual support = 76.1:
      O   HB2   HIS  122 - HN    HIS  122   3.42 +/- 0.41  91.937% * 99.5910% (0.11  10.0   5.98  76.08) =  99.992%  kept
          HA    LYS+ 112 - HN    HIS  122  13.35 +/- 1.21   1.853% *  0.1827% (0.20   1.0   0.02   0.02) =   0.004%
          HA    LEU   63 - HN    HIS  122  10.73 +/- 2.46   5.448% *  0.0565% (0.06   1.0   0.02   0.02) =   0.003%
          HB2   HIS   22 - HN    HIS  122  24.23 +/- 5.76   0.763% *  0.1698% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.319, support = 6.61, residual support = 74.8:
      O   HB3   HIS  122 - HN    HIS  122   2.73 +/- 0.45  75.366% * 82.7631% (0.33  10.0   6.63  76.08) =  93.765%  kept
          QE    LYS+ 121 - HN    HIS  122   5.36 +/- 1.03  24.164% * 17.1632% (0.21   1.0   6.31  55.07) =   6.235%  kept
          HB3   ASP-  78 - HN    HIS  122  25.63 +/- 2.65   0.124% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  20.10 +/- 4.70   0.345% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.312, support = 7.34, residual support = 52.9:
          HB2   LYS+ 121 - HN    HIS  122   3.17 +/- 0.42  63.882% * 72.9546% (0.33   7.67  55.07) =  86.272%  kept
          HB2   LEU  123 - HN    HIS  122   4.43 +/- 0.56  28.529% * 25.9666% (0.17   5.31  39.61) =  13.713%  kept
          QD    LYS+  65 - HN    HIS  122  14.90 +/- 2.60   1.219% *  0.1941% (0.34   0.02   0.02) =   0.004%
          QD    LYS+  38 - HN    HIS  122  17.00 +/- 5.94   0.926% *  0.1993% (0.35   0.02   0.02) =   0.003%
          QD    LYS+ 102 - HN    HIS  122  19.40 +/- 5.99   0.888% *  0.1460% (0.26   0.02   0.02) =   0.002%
          QB    ALA   57 - HN    HIS  122  12.69 +/- 2.01   2.344% *  0.0352% (0.06   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    HIS  122  17.38 +/- 1.41   0.472% *  0.1058% (0.19   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  18.74 +/- 2.75   0.424% *  0.0827% (0.15   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  26.10 +/- 3.59   0.172% *  0.1993% (0.35   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  17.97 +/- 1.51   0.402% *  0.0501% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.53 +/- 1.86   0.352% *  0.0352% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  18.17 +/- 1.36   0.391% *  0.0310% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.294, support = 6.63, residual support = 55.1:
          HB3   LYS+ 121 - HN    HIS  122   3.66 +/- 0.59  51.891% * 67.4491% (0.35   6.43  55.07) =  74.067%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.38 +/- 0.95  38.748% * 31.5887% (0.15   7.18  55.07) =  25.902%  kept
          HG    LEU  104 - HN    HIS  122  15.30 +/- 7.71   3.609% *  0.2097% (0.35   0.02   0.02) =   0.016%
          QD    LYS+  66 - HN    HIS  122  13.83 +/- 3.20   1.647% *  0.1713% (0.28   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HN    HIS  122  15.59 +/- 1.51   0.771% *  0.1975% (0.33   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HN    HIS  122  15.68 +/- 2.91   1.088% *  0.0730% (0.12   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    HIS  122  19.40 +/- 2.77   0.389% *  0.1918% (0.32   0.02   0.02) =   0.002%
          HG2   LYS+  33 - HN    HIS  122  20.23 +/- 5.31   1.043% *  0.0595% (0.10   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    HIS  122  18.75 +/- 4.10   0.815% *  0.0595% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.3, residual support = 39.5:
          QD1   LEU  123 - HN    HIS  122   3.46 +/- 0.88  62.361% * 98.4862% (0.31   6.31  39.61) =  99.816%  kept
          QG1   VAL   70 - HN    HIS  122   9.50 +/- 4.64  18.784% *  0.3569% (0.35   0.02   0.02) =   0.109%  kept
          QD1   LEU   71 - HN    HIS  122  12.44 +/- 4.00   5.683% *  0.3123% (0.31   0.02   0.02) =   0.029%
          HB3   LEU   63 - HN    HIS  122  10.47 +/- 2.68   4.915% *  0.2329% (0.23   0.02   0.02) =   0.019%
          HB3   LEU  104 - HN    HIS  122  14.32 +/- 7.69   5.214% *  0.1894% (0.19   0.02   0.02) =   0.016%
          QG1   VAL   18 - HN    HIS  122  14.02 +/- 2.02   1.677% *  0.3592% (0.35   0.02   0.02) =   0.010%
          QG1   VAL  108 - HN    HIS  122  15.65 +/- 2.85   1.365% *  0.0631% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.02 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.553, support = 3.54, residual support = 7.25:
          HA    ILE  119 - HN    LYS+ 121   3.95 +/- 0.27  39.594% * 61.0378% (0.61   3.94   7.30) =  52.590%  kept
          HA    THR  118 - HN    LYS+ 121   3.44 +/- 0.27  57.268% * 38.0349% (0.49   3.09   7.19) =  47.400%  kept
          HD3   PRO   58 - HN    LYS+ 121  13.09 +/- 1.58   1.532% *  0.1128% (0.22   0.02   0.02) =   0.004%
          HA2   GLY  109 - HN    LYS+ 121  16.26 +/- 3.13   0.988% *  0.1252% (0.25   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    LYS+ 121  20.38 +/- 2.67   0.311% *  0.2134% (0.42   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    LYS+ 121  24.68 +/- 2.75   0.183% *  0.2786% (0.55   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    LYS+ 121  27.24 +/- 2.47   0.124% *  0.1974% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.755, support = 6.89, residual support = 309.5:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.44 +/- 0.45  81.422% * 93.7809% (0.76  10.0   6.93 312.54) =  99.011%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.22 +/- 0.71  13.363% *  5.6872% (0.39   1.0   2.36   2.35) =   0.985%  kept
          QD    LYS+  65 - HN    LYS+ 121  15.93 +/- 2.92   0.952% *  0.0957% (0.77   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    LYS+ 121  18.03 +/- 5.44   0.870% *  0.0983% (0.79   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+ 121  19.18 +/- 5.30   0.765% *  0.0720% (0.58   1.0   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    LYS+ 121  12.88 +/- 1.77   1.040% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.13 +/- 1.42   0.305% *  0.0522% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  26.28 +/- 3.51   0.123% *  0.0983% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  19.86 +/- 2.55   0.274% *  0.0408% (0.33   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  16.17 +/- 1.58   0.336% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  16.38 +/- 1.51   0.315% *  0.0153% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.11 +/- 1.72   0.233% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.547, support = 5.45, residual support = 242.6:
          HD2   LYS+ 121 - HN    LYS+ 121   3.50 +/- 0.92  39.251% * 81.9507% (0.64   6.02 312.54) =  77.427%  kept
          QB    ALA  120 - HN    LYS+ 121   2.87 +/- 0.10  56.104% * 16.7004% (0.22   3.53   2.62) =  22.553%  kept
          HG2   LYS+  65 - HN    LYS+ 121  16.83 +/- 3.13   0.813% *  0.2952% (0.70   0.02   0.02) =   0.006%
          HB3   LEU   40 - HN    LYS+ 121  13.23 +/- 4.68   1.106% *  0.1656% (0.39   0.02   0.02) =   0.004%
          QG2   THR   26 - HN    LYS+ 121  19.91 +/- 4.44   0.407% *  0.3141% (0.74   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    LYS+ 121  10.14 +/- 0.76   1.338% *  0.0946% (0.22   0.02   0.02) =   0.003%
          QD    LYS+  66 - HN    LYS+ 121  14.97 +/- 3.51   0.787% *  0.1399% (0.33   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HN    LYS+ 121  20.31 +/- 2.56   0.194% *  0.3395% (0.80   0.02   0.02) =   0.002%
    Distance limit 2.95 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 = 0.765, support = 5.79, residual support = 308.2:
          HG2   LYS+ 121 - HN    LYS+ 121   3.81 +/- 0.65  68.327% * 94.5027% (0.77   5.86 312.54) =  98.569%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.31 +/- 0.53  19.320% *  4.6747% (0.16   1.41   7.30) =   1.379%  kept
          QG2   VAL  107 - HN    LYS+ 121   9.57 +/- 2.33   8.008% *  0.3314% (0.79   0.02   0.02) =   0.041%
          QB    ALA   20 - HN    LYS+ 121  18.11 +/- 3.91   2.225% *  0.2163% (0.52   0.02   0.02) =   0.007%
          HG13  ILE  103 - HN    LYS+ 121  17.76 +/- 5.23   1.257% *  0.2163% (0.52   0.02   0.02) =   0.004%
          HB3   LEU   31 - HN    LYS+ 121  20.74 +/- 5.30   0.862% *  0.0586% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.697, support = 2.13, residual support = 2.34:
          QD1   LEU  123 - HN    LYS+ 121   4.52 +/- 0.42  52.370% * 87.9220% (0.72   2.17   2.35) =  95.986%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.59 +/- 0.50  19.082% *  9.0968% (0.12   1.30   2.35) =   3.619%  kept
          HB3   LEU  104 - HN    LYS+ 121  13.93 +/- 6.94   9.223% *  0.8967% (0.79   0.02   0.02) =   0.172%  kept
          QG1   VAL   70 - HN    LYS+ 121  10.88 +/- 3.88   8.956% *  0.6214% (0.55   0.02   0.02) =   0.116%  kept
          QD1   LEU   71 - HN    LYS+ 121  13.96 +/- 3.84   4.608% *  0.8113% (0.72   0.02   0.02) =   0.078%
          QG1   VAL   18 - HN    LYS+ 121  15.09 +/- 1.80   1.632% *  0.5122% (0.45   0.02   0.02) =   0.017%
          HB3   LEU   63 - HN    LYS+ 121  11.64 +/- 2.46   4.129% *  0.1396% (0.12   0.02   0.02) =   0.012%
    Distance limit 4.25 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 = 5.35, residual support = 53.1:
          HB    ILE  119 - HN    ALA  120   2.98 +/- 0.31  92.658% * 97.6224% (0.90   5.35  53.09) =  99.981%  kept
          HB    VAL  108 - HN    ALA  120  15.68 +/- 3.04   1.214% *  0.3110% (0.77   0.02   0.02) =   0.004%
          HB3   PRO   68 - HN    ALA  120  16.78 +/- 5.02   1.138% *  0.2258% (0.56   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    ALA  120  21.16 +/- 4.04   0.591% *  0.3650% (0.90   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    ALA  120  22.15 +/- 4.20   0.507% *  0.3522% (0.87   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    ALA  120  17.33 +/- 2.14   0.568% *  0.2845% (0.71   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ALA  120  12.84 +/- 1.29   1.399% *  0.1149% (0.28   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ALA  120  23.19 +/- 4.87   0.357% *  0.3715% (0.92   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA  120  15.57 +/- 1.81   0.776% *  0.1669% (0.41   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ALA  120  19.71 +/- 2.51   0.418% *  0.0928% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  20.11 +/- 3.12   0.374% *  0.0928% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.0, residual support = 13.0:
      O   QB    ALA  120 - HN    ALA  120   2.03 +/- 0.08  89.425% * 83.6962% (0.49  10.0   4.00  13.15) =  98.535%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.59 +/- 1.12   7.076% * 15.6899% (0.49   1.0   3.75   2.62) =   1.462%  kept
          HG    LEU  115 - HN    ALA  120   8.47 +/- 1.05   1.544% *  0.0837% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    ALA  120  14.27 +/- 4.29   0.519% *  0.1216% (0.71   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    ALA  120  16.14 +/- 2.69   0.329% *  0.0965% (0.56   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  20.42 +/- 4.16   0.166% *  0.1093% (0.63   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  20.09 +/- 2.54   0.113% *  0.1469% (0.85   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  14.47 +/- 3.54   0.435% *  0.0315% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  15.32 +/- 3.59   0.393% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.485, support = 5.73, residual support = 53.0:
          QG2   ILE  119 - HN    ALA  120   2.99 +/- 0.76  82.291% * 96.6789% (0.49   5.74  53.09) =  99.889%  kept
          QD2   LEU   40 - HN    ALA  120  10.82 +/- 3.91   7.235% *  0.4894% (0.71   0.02   0.02) =   0.044%
          QD2   LEU   71 - HN    ALA  120  13.75 +/- 3.83   3.952% *  0.5349% (0.77   0.02   0.02) =   0.027%
          QD1   LEU   67 - HN    ALA  120  12.48 +/- 2.88   3.546% *  0.5128% (0.74   0.02   0.02) =   0.023%
          QG2   ILE  103 - HN    ALA  120  14.06 +/- 3.21   1.189% *  0.5743% (0.83   0.02   0.02) =   0.009%
          QD1   ILE  103 - HN    ALA  120  16.04 +/- 3.45   0.744% *  0.4650% (0.67   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HN    ALA  120  20.57 +/- 2.71   0.408% *  0.6180% (0.89   0.02   0.02) =   0.003%
          HB    VAL   75 - HN    ALA  120  17.81 +/- 2.36   0.636% *  0.1267% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.251, support = 2.78, residual support = 15.4:
      O   QB    SER  117 - HN    SER  117   2.19 +/- 0.15  94.252% * 88.1363% (0.25  10.0   2.79  15.42) =  99.692%  kept
          HA    ALA  120 - HN    SER  117   7.57 +/- 0.61   2.570% *  9.7318% (0.95   1.0   0.58   5.14) =   0.300%  kept
          HA    LYS+ 121 - HN    SER  117   8.96 +/- 0.69   1.561% *  0.2001% (0.57   1.0   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    SER  117  17.93 +/- 1.83   0.270% *  0.3263% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER  117  14.79 +/- 1.03   0.333% *  0.2287% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER  117  19.09 +/- 3.15   0.214% *  0.2701% (0.76   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER  117  23.28 +/- 3.80   0.110% *  0.3411% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  18.81 +/- 2.44   0.196% *  0.1720% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  24.71 +/- 2.77   0.083% *  0.3411% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.61 +/- 2.27   0.234% *  0.1206% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  25.11 +/- 4.59   0.110% *  0.0699% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  25.15 +/- 1.57   0.068% *  0.0619% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.379, support = 5.5, residual support = 28.6:
          HG3   GLN  116 - HN    SER  117   4.79 +/- 0.61  38.845% * 69.1817% (0.49   5.38  28.66) =  62.673%  kept
          HG2   GLN  116 - HN    SER  117   4.24 +/- 1.27  53.546% * 29.8688% (0.20   5.71  28.66) =  37.298%  kept
          HB3   PHE   95 - HN    SER  117   9.78 +/- 1.28   6.717% *  0.1318% (0.25   0.02   0.02) =   0.021%
          HG2   GLU-  25 - HN    SER  117  28.58 +/- 6.73   0.389% *  0.5183% (0.98   0.02   0.02) =   0.005%
          HB3   TRP   87 - HN    SER  117  22.72 +/- 2.96   0.503% *  0.2994% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.24 A violated in 0 structures by 0.20 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 28.6:
          HB2   GLN  116 - HN    SER  117   3.57 +/- 0.38  90.347% * 98.7783% (0.97   4.91  28.66) =  99.964%  kept
          HB2   PRO   58 - HN    SER  117  11.26 +/- 2.32   5.427% *  0.3026% (0.73   0.02   0.02) =   0.018%
          HB3   PHE   97 - HN    SER  117  12.96 +/- 3.15   3.309% *  0.4167% (1.00   0.02   0.02) =   0.015%
          HB2   GLU- 100 - HN    SER  117  23.71 +/- 2.52   0.357% *  0.3737% (0.90   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    SER  117  22.77 +/- 2.95   0.560% *  0.1286% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.28 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 7.19, residual support = 119.7:
          HG2   GLN  116 - HN    GLN  116   3.41 +/- 0.59  92.656% * 92.6859% (0.73   7.23 120.41) =  99.431%  kept
          HB3   PHE   95 - HN    GLN  116   9.09 +/- 1.52   6.943% *  7.0576% (0.80   0.50   0.02) =   0.567%  kept
          HG2   GLU-  25 - HN    GLN  116  28.11 +/- 6.06   0.401% *  0.2565% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.43, residual support = 120.4:
      O   HB2   GLN  116 - HN    GLN  116   2.14 +/- 0.15  95.927% * 99.6757% (0.98  10.0   7.43 120.41) =  99.998%  kept
          HB2   PRO   58 - HN    GLN  116   9.59 +/- 2.09   3.304% *  0.0456% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    GLN  116  13.38 +/- 2.77   0.491% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.34 +/- 1.95   0.068% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  21.57 +/- 2.63   0.119% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  24.37 +/- 3.98   0.091% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.779, support = 7.03, residual support = 81.5:
          HB2   LEU  115 - HN    GLN  116   3.52 +/- 0.58  57.656% * 64.3829% (0.80   7.56 100.08) =  81.126%  kept
          QB    GLU- 114 - HN    GLN  116   5.01 +/- 0.33  24.784% * 34.7795% (0.69   4.76   1.87) =  18.839%  kept
          HG3   PRO   58 - HN    GLN  116   9.51 +/- 1.60   5.719% *  0.1778% (0.84   0.02   0.02) =   0.022%
          HB2   LYS+ 111 - HN    GLN  116   7.35 +/- 1.11   8.629% *  0.0328% (0.15   0.02   0.02) =   0.006%
          HG2   PRO   68 - HN    GLN  116  18.08 +/- 4.14   0.668% *  0.1778% (0.84   0.02   0.02) =   0.003%
          HB2   LEU   67 - HN    GLN  116  16.13 +/- 2.44   0.735% *  0.0875% (0.41   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLN  116  21.02 +/- 2.55   0.385% *  0.1627% (0.76   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN  116  27.83 +/- 5.49   0.423% *  0.0726% (0.34   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  19.56 +/- 3.61   0.419% *  0.0421% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  22.28 +/- 2.80   0.302% *  0.0421% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  22.21 +/- 2.86   0.281% *  0.0421% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.18 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.855, support = 8.43, residual support = 98.3:
          HB3   LEU  115 - HN    GLN  116   3.75 +/- 0.55  37.520% * 52.9310% (0.98   8.56 100.08) =  50.629%  kept
          HG    LEU  115 - HN    GLN  116   3.42 +/- 0.98  47.639% * 39.1808% (0.73   8.55 100.08) =  47.584%  kept
          QB    ALA  120 - HN    GLN  116   6.55 +/- 0.97   9.482% *  7.3434% (0.73   1.60   0.15) =   1.775%  kept
          HG    LEU   40 - HN    GLN  116  15.14 +/- 3.33   1.628% *  0.1237% (0.98   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    GLN  116  16.76 +/- 2.50   0.534% *  0.1262% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN  116  16.55 +/- 3.49   1.038% *  0.0614% (0.49   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN  116  18.37 +/- 4.37   0.702% *  0.0714% (0.57   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLN  116  15.01 +/- 2.23   0.619% *  0.0474% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  16.05 +/- 2.96   0.691% *  0.0281% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.27 +/- 2.50   0.147% *  0.0867% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.8, residual support = 100.1:
          QD1   LEU  115 - HN    GLN  116   3.87 +/- 0.92  96.100% * 99.6393% (0.49   7.80 100.08) =  99.985%  kept
          QG1   VAL   75 - HN    GLN  116  13.77 +/- 2.17   3.900% *  0.3607% (0.69   0.02   0.02) =   0.015%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.571, support = 10.0, residual support = 98.6:
          QD2   LEU  115 - HN    GLN  116   2.50 +/- 0.65  83.119% * 87.5504% (0.57  10.16 100.08) =  98.504%  kept
          QD1   LEU   63 - HN    GLN  116   8.66 +/- 2.30   9.498% * 11.4900% (0.90   0.84   0.02) =   1.477%  kept
          QD2   LEU   63 - HN    GLN  116   9.71 +/- 2.24   3.937% *  0.2542% (0.84   0.02   0.02) =   0.014%
          QD1   LEU   73 - HN    GLN  116  15.92 +/- 3.87   0.691% *  0.2729% (0.90   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    GLN  116  15.46 +/- 2.28   0.831% *  0.0846% (0.28   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    GLN  116  14.45 +/- 2.73   0.691% *  0.0939% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  19.77 +/- 2.53   0.362% *  0.1601% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  16.02 +/- 1.54   0.495% *  0.0469% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  19.82 +/- 2.65   0.376% *  0.0469% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.711, support = 2.0, residual support = 14.7:
          QD1   ILE  119 - HN    GLN  116   4.88 +/- 1.00  51.823% * 92.2895% (0.73   2.08  15.33) =  95.579%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.64 +/- 1.29  39.701% *  5.3139% (0.38   0.23   0.02) =   4.216%  kept
          QG2   VAL  108 - HN    GLN  116  10.46 +/- 1.56   6.158% *  1.2196% (1.00   0.02   0.02) =   0.150%  kept
          HB2   LEU  104 - HN    GLN  116  15.36 +/- 2.69   2.318% *  1.1770% (0.97   0.02   0.02) =   0.055%
    Distance limit 4.94 A violated in 0 structures by 0.07 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 1.02, residual support = 2.33:
          HA    LYS+ 112 - HN    LEU  115   3.34 +/- 0.33  95.984% * 68.1905% (0.90   1.02   2.35) =  99.183%  kept
          HB2   HIS  122 - HN    LEU  115  13.32 +/- 1.04   1.666% * 30.4774% (1.00   0.41   0.02) =   0.770%  kept
          HB    THR   46 - HN    LEU  115  13.74 +/- 2.71   2.350% *  1.3320% (0.90   0.02   0.02) =   0.047%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.283, support = 4.62, residual support = 89.5:
          HB2   GLN  116 - HN    LEU  115   4.60 +/- 0.17  70.547% * 67.4677% (0.22   5.09 100.08) =  89.424%  kept
          HB2   PRO   58 - HN    LEU  115  10.72 +/- 2.63  18.317% * 30.4537% (0.80   0.64   0.02) =  10.480%  kept
          HB3   PHE   97 - HN    LEU  115  12.31 +/- 2.55   4.899% *  0.4063% (0.34   0.02   0.02) =   0.037%
          HG2   PRO   52 - HN    LEU  115  13.83 +/- 2.11   3.432% *  0.5341% (0.45   0.02   0.02) =   0.034%
          HG3   GLU-  25 - HN    LEU  115  27.94 +/- 5.70   1.335% *  0.7706% (0.65   0.02   0.02) =   0.019%
          HB2   GLU-  79 - HN    LEU  115  21.60 +/- 2.97   0.918% *  0.1838% (0.15   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    LEU  115  23.54 +/- 1.54   0.553% *  0.1838% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.36 A violated in 0 structures by 0.21 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.785, support = 7.1, residual support = 197.3:
      O   HB2   LEU  115 - HN    LEU  115   2.58 +/- 0.47  53.222% * 79.6136% (0.80  10.0   7.33 223.90) =  86.859%  kept
          QB    GLU- 114 - HN    LEU  115   3.13 +/- 0.43  33.437% * 19.0997% (0.69   1.0   5.59  21.49) =  13.092%  kept
          HG3   PRO   58 - HN    LEU  115  10.49 +/- 2.06   2.235% *  0.9785% (0.84   1.0   0.24   0.02) =   0.045%
          HB2   LYS+ 111 - HN    LEU  115   5.34 +/- 1.31  10.070% *  0.0153% (0.15   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    LEU  115  19.07 +/- 3.42   0.190% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.65 +/- 2.16   0.247% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.11 +/- 2.35   0.114% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  20.05 +/- 3.65   0.170% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  27.33 +/- 5.04   0.097% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.89 +/- 2.83   0.118% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  22.89 +/- 2.56   0.100% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.915, support = 7.51, residual support = 223.9:
      O   HB3   LEU  115 - HN    LEU  115   3.21 +/- 0.42  41.768% * 78.0984% (0.98  10.0   7.53 223.90) =  74.438%  kept
          HG    LEU  115 - HN    LEU  115   2.98 +/- 1.06  52.087% * 21.4998% (0.73   1.0   7.43 223.90) =  25.554%  kept
          QB    ALA  120 - HN    LEU  115   8.28 +/- 0.82   2.594% *  0.0579% (0.73   1.0   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    LEU  115  15.16 +/- 2.95   1.017% *  0.0781% (0.98   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU  115  17.91 +/- 4.44   0.708% *  0.0451% (0.57   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    LEU  115  17.22 +/- 2.19   0.293% *  0.0797% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LEU  115  16.71 +/- 3.17   0.556% *  0.0388% (0.49   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  15.89 +/- 2.16   0.469% *  0.0299% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.11 +/- 2.29   0.136% *  0.0547% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.56 +/- 2.47   0.373% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.54, support = 1.58, residual support = 7.21:
          QG2   VAL  107 - HN    LEU  115   4.10 +/- 1.94  56.481% * 50.5455% (0.53   1.75   7.27) =  78.072%  kept
          HG13  ILE  119 - HN    LEU  115   6.78 +/- 0.85  15.856% * 38.4779% (0.73   0.97   8.46) =  16.684%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.32 +/- 1.16  23.211% *  8.1248% (0.15   0.96   2.35) =   5.157%  kept
          HG2   LYS+ 121 - HN    LEU  115  11.89 +/- 1.65   2.212% *  0.8372% (0.76   0.02   0.02) =   0.051%
          QB    ALA   20 - HN    LEU  115  18.87 +/- 2.94   0.641% *  1.0930% (1.00   0.02   0.02) =   0.019%
          HB3   LEU   31 - HN    LEU  115  21.59 +/- 4.21   0.561% *  0.7525% (0.69   0.02   0.02) =   0.012%
          HG13  ILE  103 - HN    LEU  115  16.25 +/- 2.12   1.039% *  0.1690% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.92 A violated in 0 structures by 0.12 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 8.9, residual support = 223.5:
          QD2   LEU  115 - HN    LEU  115   3.21 +/- 0.81  85.732% * 97.0729% (0.65   8.91 223.90) =  99.837%  kept
          QD1   LEU   63 - HN    LEU  115   9.05 +/- 2.21   6.511% *  1.8562% (0.31   0.36   0.02) =   0.145%  kept
          QD1   LEU  104 - HN    LEU  115  13.85 +/- 2.50   1.908% *  0.3021% (0.90   0.02   0.02) =   0.007%
          QG1   VAL   83 - HN    LEU  115  17.68 +/- 2.40   0.882% *  0.3186% (0.95   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    LEU  115  18.71 +/- 2.74   1.162% *  0.2314% (0.69   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU  115  15.47 +/- 3.90   2.408% *  0.1040% (0.31   0.02   0.02) =   0.003%
          QG2   ILE   89 - HN    LEU  115  14.52 +/- 1.97   1.398% *  0.1149% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.43, residual support = 223.9:
          QD1   LEU  115 - HN    LEU  115   3.35 +/- 0.69  97.565% * 99.6832% (0.80   7.43 223.90) =  99.992%  kept
          QG1   VAL   75 - HN    LEU  115  12.91 +/- 2.27   2.435% *  0.3168% (0.95   0.02   0.02) =   0.008%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (1.84, 8.62, 122.05 ppm):
    14 chemical-shift based assignments, quality = 0.569, support = 6.77, residual support = 138.6:
      O   HB    ILE  103 - HN    ILE  103   2.20 +/- 0.18  69.928% * 65.0145% (0.53  10.0   6.74 138.60) =  84.346%  kept
          HG12  ILE  103 - HN    ILE  103   3.45 +/- 0.49  24.615% * 34.2664% (0.80   1.0   6.93 138.60) =  15.648%  kept
          HB    VAL   41 - HN    ILE  103  10.53 +/- 3.02   1.140% *  0.0799% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ILE  103   8.82 +/- 0.59   1.387% *  0.0554% (0.45   1.0   0.02   3.98) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   8.14 +/- 1.13   1.772% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ILE  103  23.05 +/- 5.39   0.149% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  22.28 +/- 4.38   0.151% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.91 +/- 3.98   0.085% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  16.75 +/- 3.45   0.204% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  20.34 +/- 3.73   0.149% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  21.04 +/- 4.57   0.187% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  25.97 +/- 3.36   0.058% *  0.0601% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  24.28 +/- 4.00   0.078% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.16 +/- 1.06   0.097% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.23, residual support = 138.5:
          HG13  ILE  103 - HN    ILE  103   3.55 +/- 0.57  89.126% * 98.5460% (0.65   6.24 138.60) =  99.963%  kept
          QG2   VAL  107 - HN    ILE  103  12.00 +/- 1.17   2.882% *  0.4842% (0.99   0.02   0.02) =   0.016%
          HG2   LYS+ 121 - HN    ILE  103  18.25 +/- 7.18   2.210% *  0.4715% (0.97   0.02   0.02) =   0.012%
          QB    ALA   20 - HN    ILE  103  18.79 +/- 3.83   1.249% *  0.3160% (0.65   0.02   0.02) =   0.004%
          HB3   LEU   31 - HN    ILE  103  14.35 +/- 5.43   3.788% *  0.0856% (0.18   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    ILE  103  19.78 +/- 3.10   0.745% *  0.0967% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 6.16, residual support = 138.5:
          QG2   ILE  103 - HN    ILE  103   3.57 +/- 0.13  34.640% * 70.9852% (1.00   6.44 138.60) =  63.033%  kept
          QD1   ILE  103 - HN    ILE  103   2.92 +/- 0.94  51.232% * 28.0930% (0.45   5.68 138.60) =  36.894%  kept
          QD2   LEU   40 - HN    ILE  103  10.08 +/- 4.25  11.747% *  0.2128% (0.97   0.02   0.02) =   0.064%
          QD1   LEU   67 - HN    ILE  103  15.13 +/- 3.23   0.761% *  0.2161% (0.98   0.02   0.02) =   0.004%
          QD2   LEU   71 - HN    ILE  103  15.65 +/- 3.09   0.658% *  0.1248% (0.57   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    ILE  103  21.24 +/- 3.71   0.191% *  0.2161% (0.98   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    ILE  103  16.81 +/- 3.13   0.370% *  0.0906% (0.41   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  17.56 +/- 3.62   0.400% *  0.0613% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.456, support = 7.22, residual support = 209.9:
          HG    LEU  104 - HN    LEU  104   3.40 +/- 0.71  72.899% * 82.4512% (0.45   7.43 216.83) =  96.784%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.73 +/- 0.78  12.327% * 15.8783% (0.69   0.93   0.02) =   3.152%  kept
          HB3   LYS+ 121 - HN    LEU  104  13.55 +/- 7.11   8.955% *  0.2218% (0.45   0.02   0.02) =   0.032%
          QG    LYS+  81 - HN    LEU  104  21.23 +/- 4.42   1.858% *  0.3781% (0.76   0.02   0.02) =   0.011%
          HB3   LYS+ 111 - HN    LEU  104  16.18 +/- 3.78   2.181% *  0.2801% (0.57   0.02   0.02) =   0.010%
          HG2   LYS+  33 - HN    LEU  104  17.42 +/- 3.60   0.914% *  0.4904% (0.99   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HN    LEU  104  19.76 +/- 3.73   0.865% *  0.3001% (0.61   0.02   0.02) =   0.004%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.265, support = 7.11, residual support = 152.9:
      O   HB2   LEU  104 - HN    LEU  104   2.55 +/- 0.29  43.035% * 65.8409% (0.22  10.0   7.38 216.83) =  64.188%  kept
          QG2   ILE  103 - HN    LEU  104   2.43 +/- 0.31  47.329% * 33.3718% (0.34   1.0   6.62  38.45) =  35.780%  kept
          QD2   LEU   40 - HN    LEU  104   7.65 +/- 4.18   7.967% *  0.1439% (0.49   1.0   0.02   0.02) =   0.026%
          QD1   LEU   67 - HN    LEU  104  12.72 +/- 3.39   0.861% *  0.1326% (0.45   1.0   0.02   0.02) =   0.003%
          HB    VAL   75 - HN    LEU  104  15.06 +/- 3.15   0.260% *  0.2931% (0.99   1.0   0.02   0.02) =   0.002%
          QD1   ILE  119 - HN    LEU  104  13.87 +/- 3.12   0.385% *  0.1439% (0.49   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU  104  19.55 +/- 3.79   0.163% *  0.0737% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.785, support = 7.55, residual support = 188.7:
          QD2   LEU  104 - HN    LEU  104   2.39 +/- 0.74  75.593% * 65.0587% (0.80   7.96 216.83) =  86.415%  kept
          QD1   LEU   98 - HN    LEU  104   4.43 +/- 0.44  22.275% * 34.7008% (0.69   4.95   9.41) =  13.582%  kept
          QD1   ILE   19 - HN    LEU  104  15.27 +/- 2.96   0.847% *  0.1321% (0.65   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LEU  104  16.01 +/- 3.45   0.798% *  0.0454% (0.22   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LEU  104  15.06 +/- 1.65   0.487% *  0.0630% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.19 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 = 0.67, support = 7.63, residual support = 58.0:
          HB2   PHE   97 - HN    ASP- 105   2.21 +/- 0.48  79.887% * 73.3545% (0.69   7.76  59.63) =  95.728%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.73 +/- 0.99  13.404% * 17.8907% (0.25   5.21  23.85) =   3.917%  kept
          QE    LYS+  99 - HN    ASP- 105   8.06 +/- 1.16   2.672% *  6.2333% (0.90   0.51   0.52) =   0.272%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.39 +/- 1.24   2.263% *  2.1064% (0.41   0.37   0.02) =   0.078%
          HB3   TRP   27 - HN    ASP- 105  17.04 +/- 5.00   0.768% *  0.1998% (0.73   0.02   0.02) =   0.003%
          QE    LYS+  38 - HN    ASP- 105  14.83 +/- 1.92   0.480% *  0.1780% (0.65   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    ASP- 105  14.30 +/- 2.83   0.527% *  0.0372% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.59, residual support = 59.6:
          HB3   PHE   97 - HN    ASP- 105   2.69 +/- 0.59  95.800% * 98.7104% (0.90   5.59  59.63) =  99.986%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.38 +/- 1.12   2.051% *  0.3941% (1.00   0.02   0.02) =   0.009%
          HB2   GLN  116 - HN    ASP- 105  16.21 +/- 2.55   0.659% *  0.3863% (0.98   0.02   0.02) =   0.003%
          QG    GLU-  79 - HN    ASP- 105  19.36 +/- 3.49   0.519% *  0.2231% (0.57   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ASP- 105  19.31 +/- 2.81   0.439% *  0.1767% (0.45   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    ASP- 105  17.86 +/- 3.44   0.532% *  0.1096% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.68, residual support = 42.0:
      O   HB2   ASP- 105 - HN    ASP- 105   3.56 +/- 0.23  84.938% * 99.3924% (0.80  10.0   4.68  41.97) =  99.990%  kept
          HG12  ILE  119 - HN    ASP- 105  14.16 +/- 4.06   2.422% *  0.0853% (0.69   1.0   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    ASP- 105  11.75 +/- 1.31   2.637% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    ASP- 105  19.75 +/- 3.73   2.194% *  0.0703% (0.57   1.0   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    ASP- 105  18.14 +/- 1.32   0.714% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ASP- 105  20.99 +/- 4.25   0.712% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP- 105  13.51 +/- 3.64   2.373% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  13.43 +/- 1.62   1.888% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  20.36 +/- 2.83   0.585% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  22.02 +/- 3.74   0.839% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  20.61 +/- 3.60   0.698% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.775, support = 4.58, residual support = 39.9:
      O   HB3   ASP- 105 - HN    ASP- 105   2.96 +/- 0.36  63.482% * 70.4712% (0.76  10.0   4.64  41.97) =  91.319%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.16 +/- 0.39  13.826% * 21.4284% (0.98   1.0   4.74  23.85) =   6.048%  kept
          HB    ILE  103 - HN    ASP- 105   5.03 +/- 0.53  17.222% *  7.4691% (0.69   1.0   2.36   3.98) =   2.626%  kept
          QB    LYS+  81 - HN    ASP- 105  20.88 +/- 4.60   1.949% *  0.0890% (0.97   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP- 105  16.41 +/- 2.37   0.522% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  16.19 +/- 2.58   0.474% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASP- 105  17.03 +/- 3.66   0.648% *  0.0485% (0.53   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  17.38 +/- 2.42   0.390% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  19.31 +/- 4.21   0.361% *  0.0597% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  21.85 +/- 3.42   0.277% *  0.0670% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  22.68 +/- 2.70   0.178% *  0.0851% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.63 +/- 0.92   0.357% *  0.0346% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.44 +/- 2.49   0.313% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.545, support = 5.48, residual support = 31.0:
          HG    LEU  104 - HN    ASP- 105   4.68 +/- 0.51  43.636% * 51.6331% (0.45   6.56  35.97) =  59.316%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.33 +/- 0.80  32.657% * 47.1821% (0.69   3.92  23.85) =  40.565%  kept
          HB3   LYS+ 121 - HN    ASP- 105  12.48 +/- 7.11  14.990% *  0.1573% (0.45   0.02   0.02) =   0.062%
          QG    LYS+  81 - HN    ASP- 105  21.03 +/- 4.69   4.045% *  0.2682% (0.76   0.02   0.02) =   0.029%
          HB3   LYS+ 111 - HN    ASP- 105  14.36 +/- 3.61   2.893% *  0.1987% (0.57   0.02   0.02) =   0.015%
          HG2   LYS+  33 - HN    ASP- 105  18.62 +/- 3.18   0.820% *  0.3478% (0.99   0.02   0.02) =   0.008%
          HD3   LYS+  74 - HN    ASP- 105  19.65 +/- 3.55   0.960% *  0.2128% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.281, support = 4.57, residual support = 20.3:
          HB2   LEU  104 - HN    ASP- 105   2.86 +/- 0.34  36.597% * 60.6848% (0.22   6.48  35.97) =  50.957%  kept
          QG2   ILE  103 - HN    ASP- 105   2.34 +/- 0.42  57.587% * 37.0745% (0.34   2.58   3.98) =  48.987%  kept
          QD2   LEU   40 - HN    ASP- 105   8.17 +/- 3.72   4.129% *  0.4097% (0.49   0.02   0.02) =   0.039%
          QD1   LEU   67 - HN    ASP- 105  12.76 +/- 3.15   0.703% *  0.3773% (0.45   0.02   0.02) =   0.006%
          HB    VAL   75 - HN    ASP- 105  14.86 +/- 2.98   0.290% *  0.8342% (0.99   0.02   0.02) =   0.006%
          QD1   ILE  119 - HN    ASP- 105  12.84 +/- 3.07   0.517% *  0.4097% (0.49   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HN    ASP- 105  19.56 +/- 3.55   0.177% *  0.2099% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.28 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 = 3.79, residual support = 23.8:
          HB2   ASP- 105 - HN    LYS+ 106   2.64 +/- 0.50  91.141% * 91.1243% (0.98   3.80  23.85) =  99.848%  kept
          HG12  ILE  119 - HN    LYS+ 106  13.10 +/- 3.76   1.568% *  7.0358% (0.41   0.70   0.02) =   0.133%  kept
          HB2   MET   96 - HN    LYS+ 106   8.25 +/- 1.13   4.589% *  0.1510% (0.31   0.02   2.14) =   0.008%
          HG2   GLU- 100 - HN    LYS+ 106  15.79 +/- 1.79   0.803% *  0.3740% (0.76   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    LYS+ 106  15.74 +/- 1.54   0.612% *  0.4388% (0.90   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LYS+ 106  20.16 +/- 3.89   0.610% *  0.4087% (0.84   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HN    LYS+ 106  23.73 +/- 3.82   0.265% *  0.3918% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LYS+ 106  18.92 +/- 2.44   0.413% *  0.0755% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.963, support = 5.24, residual support = 126.0:
      O   QB    LYS+ 106 - HN    LYS+ 106   2.92 +/- 0.24  51.938% * 86.2940% (0.98  10.0   5.36 134.86) =  92.014%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.67 +/- 0.59  29.717% * 13.0428% (0.76   1.0   3.88  23.85) =   7.957%  kept
          QB    LYS+  81 - HN    LYS+ 106  20.66 +/- 5.17  12.036% *  0.0850% (0.97   1.0   0.02   0.02) =   0.021%
          HB    ILE  103 - HN    LYS+ 106   7.39 +/- 0.59   3.758% *  0.0605% (0.69   1.0   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    LYS+ 106  14.36 +/- 1.88   0.510% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    LYS+ 106  20.14 +/- 3.64   0.380% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  20.94 +/- 2.27   0.167% *  0.0813% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  20.24 +/- 1.81   0.168% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  15.35 +/- 0.91   0.368% *  0.0330% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.55 +/- 1.79   0.190% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  20.85 +/- 3.65   0.188% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.70 +/- 3.10   0.207% *  0.0463% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.33 +/- 2.60   0.372% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.56, residual support = 3.06:
          QG2   THR  118 - HN    LYS+ 106   7.99 +/- 4.76 100.000% *100.0000% (0.53   2.56   3.06) = 100.000%  kept
    Distance limit 4.75 A violated in 9 structures by 3.55 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 41.9:
          HB2   PHE   95 - HN    VAL  107   3.05 +/- 0.53 100.000% *100.0000% (1.00   2.31  41.95) = 100.000%  kept
    Distance limit 4.48 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 = 60.0:
      O   HB    VAL  107 - HN    VAL  107   2.54 +/- 0.36  92.368% * 99.7350% (0.99  10.0   3.33  60.04) =  99.995%  kept
          QE    LYS+ 112 - HN    VAL  107  11.27 +/- 2.78   4.121% *  0.0691% (0.69   1.0   0.02   0.02) =   0.003%
          HB3   PHE   45 - HN    VAL  107  10.08 +/- 1.47   2.359% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    VAL  107  17.17 +/- 3.41   0.784% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.45 +/- 2.73   0.235% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.88 +/- 3.14   0.134% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.52, support = 5.02, residual support = 25.7:
          QB    LYS+ 106 - HN    VAL  107   3.21 +/- 0.32  69.879% * 84.5298% (0.53   5.10  26.29) =  97.881%  kept
          HB3   ASP- 105 - HN    VAL  107   6.26 +/- 0.42  10.577% * 11.4662% (0.25   1.46   0.02) =   2.010%  kept
          QB    LYS+  81 - HN    VAL  107  18.19 +/- 4.24   7.725% *  0.3068% (0.49   0.02   0.02) =   0.039%
          HB    ILE   56 - HN    VAL  107  11.12 +/- 1.97   2.045% *  0.5819% (0.92   0.02   0.02) =   0.020%
          HB3   PRO   58 - HN    VAL  107  15.43 +/- 2.46   1.985% *  0.4577% (0.73   0.02   0.02) =   0.015%
          HB2   MET   92 - HN    VAL  107  11.77 +/- 0.66   1.534% *  0.5653% (0.90   0.02   0.02) =   0.014%
          HB    ILE  103 - HN    VAL  107   9.29 +/- 0.56   3.295% *  0.1247% (0.20   0.02   0.02) =   0.007%
          HB3   GLN   30 - HN    VAL  107  18.40 +/- 2.31   0.470% *  0.6179% (0.98   0.02   0.02) =   0.005%
          HB3   LYS+  38 - HN    VAL  107  19.71 +/- 1.45   0.342% *  0.6248% (0.99   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    VAL  107  17.62 +/- 1.73   0.505% *  0.2591% (0.41   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL  107  16.68 +/- 3.14   0.864% *  0.1403% (0.22   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    VAL  107  19.69 +/- 1.25   0.337% *  0.2150% (0.34   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    VAL  107  19.33 +/- 2.88   0.442% *  0.1104% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.12, residual support = 59.9:
          QG1   VAL  107 - HN    VAL  107   2.97 +/- 0.53  87.994% * 91.2031% (0.20   4.13  60.04) =  99.803%  kept
          HG13  ILE  119 - HN    VAL  107  11.59 +/- 2.78   2.685% *  2.2140% (0.99   0.02   0.02) =   0.074%
          HD3   LYS+ 112 - HN    VAL  107  12.76 +/- 2.88   2.532% *  1.3549% (0.61   0.02   0.02) =   0.043%
          QG1   VAL   24 - HN    VAL  107  16.88 +/- 4.54   1.971% *  1.0873% (0.49   0.02   0.02) =   0.027%
          HG2   LYS+ 121 - HN    VAL  107  13.86 +/- 5.24   3.494% *  0.5570% (0.25   0.02   0.02) =   0.024%
          HB3   LEU   31 - HN    VAL  107  17.18 +/- 3.72   0.693% *  2.2288% (1.00   0.02   0.02) =   0.019%
          QB    ALA   20 - HN    VAL  107  17.45 +/- 2.24   0.631% *  1.3549% (0.61   0.02   0.02) =   0.011%
    Distance limit 3.80 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 = 4.68, residual support = 64.9:
      O   HB    VAL  108 - HN    VAL  108   2.74 +/- 0.44  85.131% * 99.4150% (0.95  10.0   4.68  64.93) =  99.988%  kept
          HB2   ARG+  54 - HN    VAL  108  16.37 +/- 3.61   5.870% *  0.1030% (0.98   1.0   0.02   0.02) =   0.007%
          HB2   PRO   93 - HN    VAL  108  10.90 +/- 2.05   1.854% *  0.0994% (0.95   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    VAL  108  12.70 +/- 3.11   1.593% *  0.0803% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    VAL  108  15.22 +/- 3.89   2.397% *  0.0184% (0.18   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    VAL  108  14.58 +/- 2.51   2.107% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  20.50 +/- 1.50   0.301% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.84 +/- 1.84   0.201% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.33 +/- 2.09   0.172% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.20 +/- 2.35   0.190% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.97 +/- 2.93   0.126% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  35.75 +/- 4.46   0.059% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.61, residual support = 19.3:
          QG2   VAL  107 - HN    VAL  108   3.52 +/- 0.40  77.405% * 92.9592% (0.28   3.62  19.38) =  99.699%  kept
          HG13  ILE  119 - HN    VAL  108  12.59 +/- 2.83   4.596% *  1.7464% (0.95   0.02   0.02) =   0.111%  kept
          HD3   LYS+ 112 - HN    VAL  108  11.54 +/- 2.95   9.785% *  0.6297% (0.34   0.02   0.02) =   0.085%
          HG2   LYS+ 121 - HN    VAL  108  15.08 +/- 5.10   5.796% *  0.8986% (0.49   0.02   0.02) =   0.072%
          HB3   LEU   31 - HN    VAL  108  20.54 +/- 3.51   0.507% *  1.7042% (0.92   0.02   0.02) =   0.012%
          QB    ALA   20 - HN    VAL  108  19.79 +/- 2.22   0.508% *  1.6014% (0.87   0.02   0.02) =   0.011%
          QG1   VAL   24 - HN    VAL  108  19.02 +/- 4.76   1.403% *  0.4604% (0.25   0.02   0.02) =   0.009%
    Distance limit 3.69 A violated in 0 structures by 0.10 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.25, support = 4.64, residual support = 19.3:
          QG1   VAL  107 - HN    VAL  108   3.96 +/- 0.31  78.724% * 95.7582% (0.25   4.66  19.38) =  99.684%  kept
          HG3   LYS+ 112 - HN    VAL  108  10.47 +/- 2.76  17.020% *  1.0005% (0.61   0.02   0.02) =   0.225%  kept
          HG    LEU   63 - HN    VAL  108  14.67 +/- 2.83   2.256% *  1.5919% (0.97   0.02   0.02) =   0.047%
          QG2   VAL   24 - HN    VAL  108  18.01 +/- 4.46   2.000% *  1.6495% (1.00   0.02   0.02) =   0.044%
    Distance limit 3.55 A violated in 0 structures by 0.38 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  97.896% * 99.6957% (0.69  10.0   4.64  26.43) =  99.998%  kept
          HA    ALA   61 - HN    ASP-  76  10.98 +/- 2.20   1.312% *  0.0997% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ASP-  76  16.75 +/- 2.22   0.276% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  16.16 +/- 2.75   0.516% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 3.66, residual support = 35.6:
      O   HB2   ASP-  76 - HN    ASP-  76   2.95 +/- 0.42  86.446% * 96.3687% (1.00  10.0   3.67  35.72) =  99.687%  kept
          HB2   ASP-  78 - HN    ASP-  76   7.22 +/- 0.91   7.472% *  3.4791% (0.73   1.0   0.99   4.06) =   0.311%  kept
          QE    LYS+  66 - HN    ASP-  76  15.11 +/- 3.65   3.711% *  0.0215% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASP-  76  18.16 +/- 2.37   0.513% *  0.0945% (0.98   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    ASP-  76  16.39 +/- 3.33   0.918% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  15.88 +/- 3.79   0.941% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.7, residual support = 35.6:
      O   HB3   ASP-  76 - HN    ASP-  76   3.03 +/- 0.57  71.550% * 94.0169% (0.28  10.0   3.71  35.72) =  99.563%  kept
          HB2   ASP-  44 - HN    ASP-  76   7.91 +/- 1.41   5.691% *  4.1200% (0.45   1.0   0.54   0.02) =   0.347%  kept
          HG3   MET   92 - HN    ASP-  76  13.88 +/- 3.58  16.257% *  0.2933% (0.87   1.0   0.02   0.02) =   0.071%
          HB3   PHE   72 - HN    ASP-  76  11.19 +/- 0.67   1.787% *  0.1914% (0.57   1.0   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    ASP-  76  13.02 +/- 2.59   1.331% *  0.2187% (0.65   1.0   0.02   0.02) =   0.004%
          HB2   GLU-  29 - HN    ASP-  76  17.29 +/- 3.89   0.665% *  0.3199% (0.95   1.0   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    ASP-  76  18.40 +/- 3.52   0.979% *  0.1646% (0.49   1.0   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    ASP-  76  18.03 +/- 2.56   0.468% *  0.3199% (0.95   1.0   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    ASP-  76  19.13 +/- 5.47   0.491% *  0.1646% (0.49   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  76  20.01 +/- 5.62   0.460% *  0.1153% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  21.65 +/- 3.59   0.321% *  0.0753% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.4:
          QG1   VAL   75 - HN    ASP-  76   3.09 +/- 0.49  98.164% * 99.7155% (0.69   4.97  26.43) =  99.995%  kept
          QD1   LEU  115 - HN    ASP-  76  13.68 +/- 2.40   1.836% *  0.2845% (0.49   0.02   0.02) =   0.005%
    Distance limit 3.97 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 = 4.62, residual support = 26.3:
          QG2   VAL   75 - HN    ASP-  76   3.63 +/- 0.49  80.940% * 98.3088% (0.98   4.64  26.43) =  99.597%  kept
          QG2   VAL   42 - HN    ASP-  76   9.99 +/- 2.55  19.060% *  1.6912% (0.90   0.09   0.02) =   0.403%  kept
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.31:
      O   HA2   GLY  109 - HN    GLY  109   2.55 +/- 0.24  94.449% * 99.3336% (0.43  10.0   2.20   9.31) =  99.992%  kept
          HA    THR  118 - HN    GLY  109  13.56 +/- 3.08   1.567% *  0.1522% (0.65   1.0   0.02   0.02) =   0.003%
          HA    ALA   84 - HN    GLY  109  15.79 +/- 3.92   1.676% *  0.1341% (0.58   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    GLY  109  14.39 +/- 2.78   0.905% *  0.1693% (0.73   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    GLY  109  15.80 +/- 3.97   0.854% *  0.1620% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  16.09 +/- 3.45   0.550% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.656, support = 0.156, residual support = 0.0317:
          HG3   LYS+ 111 - HN    GLY  109   6.95 +/- 1.67  47.508% * 30.2205% (0.70   0.13   0.02) =  80.650%  kept
          HG2   LYS+  74 - HN    GLY  109  17.93 +/- 3.01   4.225% * 54.9758% (0.46   0.37   0.11) =  13.046%  kept
          HG12  ILE   89 - HN    GLY  109  12.97 +/- 3.46  14.635% *  4.7611% (0.73   0.02   0.02) =   3.914%  kept
          HD2   LYS+ 112 - HN    GLY  109  10.33 +/- 3.51  26.440% *  0.9763% (0.15   0.02   0.02) =   1.450%  kept
          HG    LEU   71 - HN    GLY  109  22.32 +/- 2.04   1.895% *  3.1915% (0.49   0.02   0.02) =   0.340%  kept
          HG3   LYS+  99 - HN    GLY  109  20.98 +/- 1.51   2.100% *  2.7931% (0.43   0.02   0.02) =   0.329%  kept
          HG13  ILE   19 - HN    GLY  109  23.73 +/- 2.22   1.431% *  1.8516% (0.28   0.02   0.02) =   0.149%  kept
          HB3   LEU   71 - HN    GLY  109  22.62 +/- 1.72   1.767% *  1.2302% (0.19   0.02   0.02) =   0.122%  kept
    Distance limit 4.68 A violated in 9 structures by 1.52 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 = 7.46:
          QG1   VAL  108 - HN    GLY  109   2.58 +/- 0.31  98.027% * 98.9380% (0.65   3.09   7.47) =  99.993%  kept
          QD1   LEU   40 - HN    GLY  109  14.92 +/- 1.30   0.696% *  0.5069% (0.52   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    GLY  109  15.55 +/- 2.47   0.747% *  0.2517% (0.26   0.02   0.02) =   0.002%
          QD2   LEU   67 - HN    GLY  109  16.83 +/- 2.85   0.530% *  0.3034% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.4:
      O   HA2   GLY  109 - HN    ALA  110   2.78 +/- 0.35  95.430% * 99.3336% (0.57  10.0   2.20   6.40) =  99.993%  kept
          HB2   TRP   49 - HN    ALA  110  15.75 +/- 3.53   1.093% *  0.1620% (0.92   1.0   0.02   0.02) =   0.002%
          HA    THR  118 - HN    ALA  110  13.72 +/- 2.25   1.055% *  0.1522% (0.87   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  14.27 +/- 2.14   0.944% *  0.1693% (0.97   1.0   0.02   0.02) =   0.002%
          HA    ALA   84 - HN    ALA  110  17.11 +/- 3.87   0.875% *  0.1341% (0.76   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  17.29 +/- 3.95   0.604% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.279, support = 0.674, residual support = 4.02:
          HG2   PRO   93 - HN    ALA  110   7.34 +/- 5.37  37.820% * 54.6666% (0.22   0.75   4.49) =  89.614%  kept
          HB3   PRO   52 - HN    ALA  110   9.83 +/- 2.91  20.221% *  6.4182% (0.98   0.02   0.02) =   5.625%  kept
          QB    LYS+ 106 - HN    ALA  110   9.21 +/- 1.10  16.206% *  1.2958% (0.20   0.02   0.02) =   0.910%  kept
          HG    LEU  123 - HN    ALA  110  18.40 +/- 2.21   2.327% *  6.4182% (0.98   0.02   0.02) =   0.647%  kept
          HB3   ASP- 105 - HN    ALA  110  13.86 +/- 1.10   4.715% *  2.9356% (0.45   0.02   0.02) =   0.600%  kept
          HG12  ILE  103 - HN    ALA  110  16.57 +/- 1.92   2.577% *  5.2431% (0.80   0.02   0.02) =   0.586%  kept
          HG2   ARG+  54 - HN    ALA  110  13.71 +/- 1.74   4.238% *  3.1872% (0.49   0.02   0.02) =   0.585%  kept
          HB    ILE  103 - HN    ALA  110  17.00 +/- 1.84   2.840% *  3.4450% (0.53   0.02   0.02) =   0.424%  kept
          HB    VAL   41 - HN    ALA  110  18.80 +/- 2.60   1.441% *  4.2358% (0.65   0.02   0.02) =   0.265%  kept
          HB3   GLN   90 - HN    ALA  110  15.00 +/- 3.42   3.073% *  1.8205% (0.28   0.02   0.02) =   0.242%  kept
          QB    LYS+  66 - HN    ALA  110  18.12 +/- 2.95   1.674% *  2.9356% (0.45   0.02   0.02) =   0.213%  kept
          HG3   PRO   68 - HN    ALA  110  23.05 +/- 3.18   0.869% *  3.7071% (0.57   0.02   0.02) =   0.140%  kept
          QB    LYS+  81 - HN    ALA  110  19.08 +/- 4.74   1.352% *  1.4578% (0.22   0.02   0.02) =   0.085%
          QB    LYS+  33 - HN    ALA  110  25.29 +/- 1.88   0.647% *  2.2335% (0.34   0.02   0.02) =   0.063%
    Distance limit 4.44 A violated in 5 structures by 0.98 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   2.61 +/- 0.31  86.739% * 98.9553% (0.69  10.0   2.12   9.58) =  99.988%  kept
          HB3   LEU  115 - HN    ALA  110   8.73 +/- 1.94   8.695% *  0.0592% (0.41   1.0   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    ALA  110  12.32 +/- 2.39   1.747% *  0.1292% (0.90   1.0   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ALA  110  20.01 +/- 5.15   0.615% *  0.1046% (0.73   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ALA  110  19.58 +/- 3.74   0.378% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA  110  18.88 +/- 2.54   0.307% *  0.1428% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  19.76 +/- 3.24   0.275% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.84 +/- 1.95   0.157% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  18.72 +/- 1.92   0.283% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.92 +/- 2.62   0.150% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.33 +/- 4.46   0.407% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.39 +/- 2.84   0.246% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.05, residual support = 314.5:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.05 +/- 0.65  66.623% * 99.1954% (1.00  10.0   7.05 314.81) =  99.897%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.49 +/- 1.05  30.404% *  0.2199% (0.53   1.0   0.08   0.11) =   0.101%  kept
          HB    ILE  119 - HN    LYS+ 111  12.08 +/- 1.56   1.469% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 111  25.97 +/- 3.42   0.205% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  24.14 +/- 2.53   0.165% *  0.0892% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  26.01 +/- 3.23   0.135% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.79 +/- 4.70   0.138% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  23.77 +/- 2.60   0.174% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.87 +/- 3.21   0.201% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.79 +/- 3.06   0.140% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.46 +/- 2.52   0.182% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.45 +/- 3.10   0.163% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 314.8:
      O   HB3   LYS+ 111 - HN    LYS+ 111   3.04 +/- 0.56  94.204% * 99.4649% (0.92  10.0   5.50 314.81) =  99.995%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  15.97 +/- 1.62   0.945% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    LYS+ 111  19.96 +/- 4.27   0.941% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    LYS+ 111  18.23 +/- 3.52   0.859% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+ 111  19.34 +/- 3.16   0.894% *  0.0863% (0.80   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  15.58 +/- 2.21   1.082% *  0.0443% (0.41   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+ 111  19.19 +/- 3.19   0.590% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  22.83 +/- 2.88   0.313% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  27.42 +/- 2.87   0.171% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.15 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.899, support = 6.47, residual support = 305.4:
          HG3   LYS+ 111 - HN    LYS+ 111   3.21 +/- 0.55  77.802% * 86.9646% (0.92   6.55 314.81) =  96.708%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.48 +/- 1.70  19.056% * 12.0545% (0.20   4.23  28.92) =   3.283%  kept
          HG12  ILE   89 - HN    LYS+ 111  16.12 +/- 2.87   0.890% *  0.2777% (0.97   0.02   0.02) =   0.004%
          HG2   LYS+  74 - HN    LYS+ 111  19.40 +/- 3.99   1.178% *  0.1745% (0.61   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    LYS+ 111  23.23 +/- 2.70   0.285% *  0.1861% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  22.45 +/- 2.60   0.286% *  0.1629% (0.57   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  24.73 +/- 2.70   0.240% *  0.1080% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  23.67 +/- 2.62   0.263% *  0.0717% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.05 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.02, residual support = 1.93:
          QD1   ILE   56 - HN    LYS+ 111   6.56 +/- 2.85  66.031% * 97.3182% (0.76   2.03   1.93) =  99.643%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  16.99 +/- 2.11   7.985% *  1.2128% (0.97   0.02   0.02) =   0.150%  kept
          QD2   LEU   73 - HN    LYS+ 111  16.43 +/- 3.27  11.911% *  0.6117% (0.49   0.02   0.02) =   0.113%  kept
          QD2   LEU  123 - HN    LYS+ 111  15.39 +/- 1.39  10.782% *  0.4287% (0.34   0.02   0.02) =   0.072%
          HG    LEU   31 - HN    LYS+ 111  23.63 +/- 3.79   3.290% *  0.4287% (0.34   0.02   0.02) =   0.022%
    Distance limit 3.90 A violated in 9 structures by 2.60 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.75, residual support = 238.2:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.06  97.381% * 99.8622% (0.87  10.0   5.75 238.20) =  99.999%  kept
          HB    THR   46 - HN    LYS+ 112  13.84 +/- 2.95   1.732% *  0.0393% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LYS+ 112  17.33 +/- 1.67   0.461% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  26.91 +/- 5.76   0.426% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.861, support = 6.95, residual support = 28.6:
          HB2   LYS+ 111 - HN    LYS+ 112   3.72 +/- 0.64  61.773% * 95.6422% (0.87   7.01  28.92) =  99.000%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.30 +/- 0.44  24.899% *  2.3311% (0.28   0.53   0.82) =   0.973%  kept
          HB    ILE  119 - HN    LYS+ 112  10.69 +/- 1.38   3.769% *  0.1530% (0.49   0.02   0.02) =   0.010%
          HB    VAL  108 - HN    LYS+ 112  10.66 +/- 1.73   4.978% *  0.0874% (0.28   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HN    LYS+ 112  12.79 +/- 1.01   1.832% *  0.0700% (0.22   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LYS+ 112  23.26 +/- 2.72   0.367% *  0.3144% (1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    LYS+ 112  25.77 +/- 3.83   0.340% *  0.2517% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    LYS+ 112  25.67 +/- 3.82   0.296% *  0.2517% (0.80   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    LYS+ 112  26.20 +/- 3.91   0.226% *  0.2517% (0.80   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  29.42 +/- 4.90   0.226% *  0.1907% (0.61   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.91 +/- 3.64   0.277% *  0.1530% (0.49   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    LYS+ 112  26.76 +/- 3.07   0.204% *  0.1780% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 112  21.99 +/- 3.28   0.519% *  0.0551% (0.18   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  24.01 +/- 3.06   0.294% *  0.0700% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 5.73, residual support = 238.2:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.85 +/- 0.63  87.945% * 98.9690% (0.76  10.0   5.73 238.20) =  99.992%  kept
          HB    VAL   42 - HN    LYS+ 112  16.43 +/- 2.70   1.131% *  0.1195% (0.92   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    LYS+ 112  14.85 +/- 2.39   1.352% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+ 112   9.66 +/- 2.90   5.337% *  0.0200% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+ 112  18.55 +/- 2.88   0.773% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  17.93 +/- 2.28   0.716% *  0.0890% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LYS+ 112  20.29 +/- 4.30   0.537% *  0.1123% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LYS+ 112  24.58 +/- 3.46   0.337% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  16.01 +/- 1.86   0.653% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  21.03 +/- 3.53   0.467% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  27.78 +/- 3.84   0.176% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  28.59 +/- 4.75   0.175% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  21.97 +/- 3.70   0.401% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 238.2:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.70 +/- 0.60  58.203% * 84.1974% (0.90  10.0   5.98 238.20) =  92.841%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.36 +/- 1.00  24.183% * 15.6070% (0.49   1.0   6.83 238.20) =   7.150%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.23 +/- 2.30  15.685% *  0.0186% (0.20   1.0   0.02   0.02) =   0.006%
          QG2   THR   94 - HN    LYS+ 112  10.45 +/- 1.83   1.551% *  0.0814% (0.87   1.0   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 112  18.74 +/- 3.22   0.277% *  0.0569% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.59 +/- 2.70   0.101% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 238.0:
          HG2   LYS+ 112 - HN    LYS+ 112   3.85 +/- 0.64  86.495% * 98.1779% (0.34   6.24 238.20) =  99.903%  kept
          QG1   VAL   42 - HN    LYS+ 112  12.30 +/- 1.94   4.939% *  0.6339% (0.69   0.02   0.02) =   0.037%
          QB    ALA   47 - HN    LYS+ 112  11.94 +/- 2.27   4.235% *  0.7390% (0.80   0.02   0.02) =   0.037%
          QB    ALA   64 - HN    LYS+ 112  14.22 +/- 2.28   4.332% *  0.4492% (0.49   0.02   0.02) =   0.023%
    Distance limit 4.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.73, residual support = 7.87:
          QD1   ILE   56 - HN    LYS+ 112   6.00 +/- 2.26  68.486% * 96.8750% (0.76   1.73   7.90) =  99.637%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.70 +/- 1.45   6.963% *  1.4132% (0.97   0.02   0.02) =   0.148%  kept
          QD2   LEU   73 - HN    LYS+ 112  16.82 +/- 3.27   9.837% *  0.7128% (0.49   0.02   0.02) =   0.105%  kept
          QD2   LEU  123 - HN    LYS+ 112  13.95 +/- 1.74  12.104% *  0.4995% (0.34   0.02   0.02) =   0.091%
          HG    LEU   31 - HN    LYS+ 112  24.42 +/- 4.18   2.611% *  0.4995% (0.34   0.02   0.02) =   0.020%
    Distance limit 4.05 A violated in 8 structures by 1.95 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 238.2:
          HG3   LYS+ 112 - HN    LYS+ 112   3.49 +/- 0.34  90.050% * 99.2157% (0.87   5.92 238.20) =  99.982%  kept
          HG    LEU   63 - HN    LYS+ 112  14.45 +/- 2.55   2.038% *  0.3785% (0.98   0.02   0.02) =   0.009%
          QG2   VAL   24 - HN    LYS+ 112  20.75 +/- 4.45   1.163% *  0.3463% (0.90   0.02   0.02) =   0.005%
          QG2   VAL  108 - HN    LYS+ 112   9.30 +/- 1.78   6.749% *  0.0596% (0.15   0.02   0.02) =   0.004%
    Distance limit 3.48 A violated in 0 structures by 0.15 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.45, residual support = 15.5:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.05  96.036% * 99.8622% (0.74  10.0   5.45  15.48) =  99.998%  kept
          HB    THR   46 - HN    ASP- 113  15.33 +/- 2.84   2.078% *  0.0393% (0.29   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    ASP- 113  16.40 +/- 1.38   1.053% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  27.72 +/- 6.03   0.833% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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   2.22 +/- 0.22 100.000% *100.0000% (0.82  10.0   3.49  14.47) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 3.25, residual support = 23.5:
          QG    GLU- 114 - HN    ASP- 113   4.50 +/- 0.47  79.411% * 94.2840% (0.26   3.26  23.56) =  99.749%  kept
          HB2   PRO   58 - HN    ASP- 113  12.30 +/- 2.22   8.532% *  0.9128% (0.41   0.02   0.02) =   0.104%  kept
          HG2   PRO   52 - HN    ASP- 113  13.53 +/- 2.73   4.328% *  1.4331% (0.65   0.02   0.02) =   0.083%
          HG2   MET   92 - HN    ASP- 113  13.99 +/- 2.67   5.666% *  0.4676% (0.21   0.02   0.02) =   0.035%
          HG3   GLU-  25 - HN    ASP- 113  30.76 +/- 5.82   0.798% *  1.7311% (0.79   0.02   0.02) =   0.018%
          HB2   GLU-  79 - HN    ASP- 113  23.49 +/- 3.93   0.907% *  0.7038% (0.32   0.02   0.02) =   0.009%
          HG3   GLU-  36 - HN    ASP- 113  30.65 +/- 3.89   0.358% *  0.4676% (0.21   0.02   0.02) =   0.002%
    Distance limit 4.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.696, support = 2.71, residual support = 11.2:
          HB2   LYS+ 111 - HN    ASP- 113   4.05 +/- 0.67  53.570% * 52.3272% (0.85   2.18   3.54) =  61.574%  kept
          QB    GLU- 114 - HN    ASP- 113   4.55 +/- 0.32  38.976% * 44.8468% (0.45   3.55  23.56) =  38.395%  kept
          HB    ILE  119 - HN    ASP- 113   9.48 +/- 1.02   4.552% *  0.1198% (0.21   0.02   0.02) =   0.012%
          HB3   PRO   68 - HN    ASP- 113  23.20 +/- 2.83   0.364% *  0.4309% (0.76   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    ASP- 113  25.78 +/- 3.31   0.300% *  0.4710% (0.84   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    ASP- 113  25.86 +/- 3.38   0.276% *  0.4710% (0.84   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    ASP- 113  30.13 +/- 5.26   0.253% *  0.4168% (0.74   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    ASP- 113  21.87 +/- 3.57   0.510% *  0.1803% (0.32   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASP- 113  24.37 +/- 2.89   0.332% *  0.2154% (0.38   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    ASP- 113  26.60 +/- 3.92   0.274% *  0.2528% (0.45   0.02   0.02) =   0.002%
          HB2   GLN   30 - HN    ASP- 113  25.32 +/- 3.59   0.330% *  0.1198% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  26.83 +/- 2.56   0.262% *  0.1483% (0.26   0.02   0.02) =   0.001%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.15, residual support = 15.5:
          HB2   LYS+ 112 - HN    ASP- 113   3.66 +/- 0.43  84.259% * 96.1128% (0.65   5.15  15.48) =  99.956%  kept
          HB    VAL   42 - HN    ASP- 113  16.65 +/- 2.66   1.376% *  0.4507% (0.79   0.02   0.02) =   0.008%
          HG3   LYS+  65 - HN    ASP- 113  19.14 +/- 2.34   1.105% *  0.4507% (0.79   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    ASP- 113  11.05 +/- 2.56   6.274% *  0.0753% (0.13   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    ASP- 113  15.08 +/- 2.06   1.479% *  0.3159% (0.55   0.02   0.02) =   0.006%
          HB3   LEU   73 - HN    ASP- 113  21.01 +/- 4.29   0.861% *  0.4236% (0.74   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ASP- 113  14.66 +/- 2.15   1.589% *  0.1833% (0.32   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ASP- 113  18.29 +/- 1.73   0.815% *  0.3354% (0.59   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HN    ASP- 113  21.98 +/- 3.34   0.741% *  0.2007% (0.35   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    ASP- 113  24.65 +/- 2.88   0.346% *  0.4078% (0.71   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    ASP- 113  28.63 +/- 4.56   0.273% *  0.4507% (0.79   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    ASP- 113  27.96 +/- 3.71   0.252% *  0.4712% (0.82   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  23.49 +/- 3.68   0.630% *  0.1218% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.22 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.674, support = 4.91, residual support = 15.2:
          HB3   LYS+ 112 - HN    ASP- 113   3.66 +/- 0.40  52.471% * 58.3928% (0.76   4.78  15.48) =  75.356%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.31 +/- 0.94  24.845% * 37.2540% (0.41   5.62  15.48) =  22.764%  kept
          QG2   VAL  107 - HN    ASP- 113   6.45 +/- 2.16  19.744% *  3.8394% (0.17   1.42   0.11) =   1.864%  kept
          QG2   THR   94 - HN    ASP- 113  11.32 +/- 1.77   2.314% *  0.2364% (0.74   0.02   0.02) =   0.013%
          HG13  ILE  103 - HN    ASP- 113  19.13 +/- 2.68   0.401% *  0.1653% (0.52   0.02   0.02) =   0.002%
          HB3   LEU   71 - HN    ASP- 113  23.72 +/- 2.70   0.226% *  0.1120% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.36, residual support = 23.6:
      O   HA    ASP- 113 - HN    GLU- 114   3.57 +/- 0.05  85.879% * 99.6702% (1.00  10.0   3.36  23.56) =  99.990%  kept
          HA    ILE   56 - HN    GLU- 114   8.77 +/- 1.45   7.758% *  0.0606% (0.61   1.0   0.02   0.02) =   0.005%
          HA    PHE   59 - HN    GLU- 114  10.57 +/- 1.32   4.174% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    GLU- 114  16.25 +/- 0.80   0.935% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU- 114  20.45 +/- 1.80   0.504% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  25.32 +/- 3.48   0.328% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  22.07 +/- 2.85   0.422% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 3.36, residual support = 23.6:
          QB    ASP- 113 - HN    GLU- 114   2.89 +/- 0.30  98.514% * 99.8630% (0.97   3.36  23.56) =  99.998%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.45 +/- 1.83   1.486% *  0.1370% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.33, residual support = 43.9:
          QG    GLU- 114 - HN    GLU- 114   2.56 +/- 0.43  97.296% * 97.6919% (0.84   4.33  43.90) =  99.987%  kept
          HG2   MET   92 - HN    GLU- 114  13.89 +/- 2.65   1.290% *  0.4128% (0.76   0.02   0.02) =   0.006%
          HG2   PRO   52 - HN    GLU- 114  14.27 +/- 2.33   0.766% *  0.5295% (0.98   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    GLU- 114  29.76 +/- 5.90   0.320% *  0.4686% (0.87   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    GLU- 114  22.99 +/- 3.92   0.232% *  0.4844% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    GLU- 114  29.08 +/- 3.69   0.096% *  0.4128% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.838, support = 4.11, residual support = 41.6:
      O   QB    GLU- 114 - HN    GLU- 114   2.28 +/- 0.19  67.105% * 89.3105% (0.84  10.0   4.22  43.90) =  94.812%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.62 +/- 1.20  32.357% * 10.1336% (0.90   1.0   2.11   0.11) =   5.187%  kept
          HG2   PRO   68 - HN    GLU- 114  21.11 +/- 3.51   0.113% *  0.0734% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  29.17 +/- 5.28   0.064% *  0.1069% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.25 +/- 2.57   0.084% *  0.0817% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.78 +/- 2.91   0.065% *  0.1011% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  25.01 +/- 2.89   0.060% *  0.1011% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.44 +/- 2.71   0.084% *  0.0649% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  25.33 +/- 3.68   0.069% *  0.0267% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.0954, residual support = 0.104:
          HB3   LYS+ 111 - HN    GLU- 114   3.77 +/- 0.71  85.891% * 47.4823% (0.92   0.10   0.11) =  97.534%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.59 +/- 0.92   2.917% * 10.3655% (0.98   0.02   0.02) =   0.723%  kept
          HG    LEU  104 - HN    GLU- 114  17.53 +/- 2.97   2.107% * 10.3655% (0.98   0.02   0.02) =   0.522%  kept
          HD3   LYS+  74 - HN    GLU- 114  20.62 +/- 3.61   1.639% *  9.4839% (0.90   0.02   0.02) =   0.372%  kept
          HD2   LYS+ 121 - HN    GLU- 114  12.05 +/- 1.79   3.402% *  4.3475% (0.41   0.02   0.02) =   0.354%  kept
          QD    LYS+  66 - HN    GLU- 114  18.20 +/- 3.21   1.420% *  8.4677% (0.80   0.02   0.02) =   0.288%  kept
          HG2   LYS+  65 - HN    GLU- 114  18.75 +/- 2.41   1.461% *  3.6072% (0.34   0.02   0.02) =   0.126%  kept
          QG2   THR   26 - HN    GLU- 114  22.68 +/- 3.48   0.723% *  2.9402% (0.28   0.02   0.02) =   0.051%
          HG2   LYS+  33 - HN    GLU- 114  26.60 +/- 3.24   0.441% *  2.9402% (0.28   0.02   0.02) =   0.031%
    Distance limit 4.25 A violated in 0 structures by 0.11 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 = 0.471, support = 1.45, residual support = 4.11:
          QG2   VAL  107 - HN    GLU- 114   5.10 +/- 1.78  54.653% * 44.0907% (0.53   1.36   5.42) =  72.718%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.43 +/- 1.24  30.705% * 20.3951% (0.15   2.15   0.82) =  18.898%  kept
          HG13  ILE  119 - HN    GLU- 114   8.98 +/- 0.79   8.438% * 32.3069% (0.73   0.72   0.11) =   8.227%  kept
          HG2   LYS+ 121 - HN    GLU- 114  13.24 +/- 1.96   3.371% *  0.9416% (0.76   0.02   0.02) =   0.096%
          QB    ALA   20 - HN    GLU- 114  20.59 +/- 3.37   1.107% *  1.2293% (1.00   0.02   0.02) =   0.041%
          HB3   LEU   31 - HN    GLU- 114  23.48 +/- 4.34   0.548% *  0.8463% (0.69   0.02   0.02) =   0.014%
          HG13  ILE  103 - HN    GLU- 114  17.28 +/- 2.06   1.177% *  0.1901% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.30 +/- 0.50  96.470% * 99.4046% (0.57  10.0   3.86  14.93) =  99.996%  kept
          HA    GLN   30 - HN    GLY  101  15.63 +/- 5.57   1.919% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLY  101  22.77 +/- 6.98   0.886% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLY  101  25.15 +/- 3.55   0.309% *  0.1694% (0.97   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HN    GLY  101  25.62 +/- 2.59   0.243% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.72 +/- 4.08   0.173% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.74 +/- 0.22  98.990% * 99.9154% (0.53  10.0   2.86  15.43) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  17.74 +/- 5.58   0.846% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.84 +/- 1.19   0.165% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.37, residual support = 75.3:
      O   HA    GLU- 100 - HN    GLU- 100   2.26 +/- 0.12  98.310% * 99.4046% (0.57  10.0   6.37  75.33) =  99.998%  kept
          HA    GLN   30 - HN    GLU- 100  13.74 +/- 5.45   1.205% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLU- 100  22.75 +/- 6.79   0.228% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  24.21 +/- 3.23   0.104% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.18 +/- 2.56   0.091% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.03 +/- 3.72   0.062% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 4.22, residual support = 75.2:
          HG3   GLU- 100 - HN    GLU- 100   3.58 +/- 0.64  81.861% * 97.3937% (0.69   4.22  75.33) =  99.867%  kept
          HB    VAL   24 - HN    GLU- 100  18.87 +/- 5.64  10.962% *  0.6349% (0.95   0.02   0.02) =   0.087%
          QB    GLN   32 - HN    GLU- 100  12.72 +/- 4.42   3.831% *  0.6579% (0.98   0.02   0.02) =   0.032%
          HB2   PRO   68 - HN    GLU- 100  19.14 +/- 6.42   1.187% *  0.6579% (0.98   0.02   0.02) =   0.010%
          HB2   GLU-  14 - HN    GLU- 100  20.53 +/- 6.53   1.214% *  0.1494% (0.22   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    GLU- 100  24.05 +/- 2.57   0.349% *  0.1866% (0.28   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  28.70 +/- 3.89   0.279% *  0.1866% (0.28   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLU- 100  26.87 +/- 6.60   0.318% *  0.1328% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.58, residual support = 38.4:
          HB2   LYS+  99 - HN    GLU- 100   4.35 +/- 0.22  93.796% * 99.1202% (0.73   5.58  38.37) =  99.976%  kept
          HB    VAL   43 - HN    GLU- 100  13.01 +/- 1.83   4.358% *  0.4088% (0.84   0.02   0.02) =   0.019%
          QD    LYS+  81 - HN    GLU- 100  23.79 +/- 4.65   0.843% *  0.3741% (0.76   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    GLU- 100  23.84 +/- 5.43   1.004% *  0.0969% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.25, residual support = 37.8:
          HG2   LYS+  99 - HN    GLU- 100   2.99 +/- 0.63  75.655% * 89.1584% (0.90   6.33  38.37) =  98.624%  kept
          HG2   LYS+  38 - HN    GLU- 100  10.52 +/- 5.81   9.461% *  9.6772% (0.97   0.64   0.02) =   1.339%  kept
          HB2   LEU   31 - HN    GLU- 100  12.62 +/- 5.03  11.893% *  0.1778% (0.57   0.02   0.02) =   0.031%
          QG2   THR   77 - HN    GLU- 100  17.80 +/- 2.08   0.563% *  0.1905% (0.61   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    GLU- 100  22.45 +/- 5.72   0.348% *  0.2971% (0.95   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    GLU- 100  17.57 +/- 4.13   0.804% *  0.0969% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 100  22.25 +/- 4.65   0.420% *  0.1291% (0.41   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    GLU- 100  17.09 +/- 2.23   0.648% *  0.0699% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  23.70 +/- 3.67   0.208% *  0.2031% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.30 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 = 173.9:
      O   HB2   LYS+  99 - HN    LYS+  99   2.89 +/- 0.31  89.615% * 99.7262% (0.99  10.0   4.79 173.87) =  99.997%  kept
          HB    VAL   43 - HN    LYS+  99  11.21 +/- 1.45   1.936% *  0.0952% (0.95   1.0   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    LYS+  99  22.52 +/- 4.80   0.366% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.35 +/- 4.77   0.454% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.19 +/- 5.10   3.814% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  14.15 +/- 3.60   1.311% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  13.48 +/- 2.41   2.116% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  21.66 +/- 5.54   0.390% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.89, residual support = 17.7:
          QB    LEU   98 - HN    LYS+  99   3.25 +/- 0.33  63.156% * 93.6295% (0.57   3.89  17.73) =  99.888%  kept
          HD3   LYS+ 121 - HN    LYS+  99  16.56 +/- 6.80   2.216% *  0.7375% (0.87   0.02   0.02) =   0.028%
          HG12  ILE   19 - HN    LYS+  99  16.62 +/- 4.66   0.988% *  0.7625% (0.90   0.02   0.02) =   0.013%
          HB3   LYS+  74 - HN    LYS+  99  18.35 +/- 4.22   1.005% *  0.7101% (0.84   0.02   0.02) =   0.012%
          HB3   LEU   67 - HN    LYS+  99  16.28 +/- 4.91   1.727% *  0.3812% (0.45   0.02   0.02) =   0.011%
          QG    LYS+  66 - HN    LYS+  99  18.88 +/- 4.87   2.140% *  0.2364% (0.28   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    LYS+  99  17.99 +/- 1.71   0.466% *  0.7101% (0.84   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    LYS+  99  16.96 +/- 2.27   0.597% *  0.5157% (0.61   0.02   0.02) =   0.005%
          HB2   LEU   80 - HN    LYS+  99  20.62 +/- 3.90   0.366% *  0.8205% (0.97   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    LYS+  99  20.96 +/- 4.62   0.416% *  0.6808% (0.80   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    GLN   30   8.88 +/- 1.43   5.192% *  0.0501% (0.06   0.02  13.91) =   0.004%
          QB    ALA   12 - HN    LYS+  99  21.75 +/- 4.75   0.743% *  0.2624% (0.31   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LYS+  99  15.25 +/- 3.96   0.967% *  0.1312% (0.15   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    GLN   30  21.51 +/- 6.05   1.990% *  0.0485% (0.06   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    GLN   30  12.69 +/- 2.37   1.867% *  0.0467% (0.05   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    GLN   30  18.82 +/- 6.76   1.476% *  0.0447% (0.05   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    GLN   30   8.55 +/- 3.18   7.380% *  0.0086% (0.01   0.02   3.11) =   0.001%
          HB2   LEU   80 - HN    GLN   30  18.88 +/- 6.13   1.153% *  0.0539% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  15.38 +/- 2.97   1.409% *  0.0339% (0.04   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.94 +/- 3.84   1.499% *  0.0316% (0.04   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    GLN   30  15.86 +/- 3.56   1.418% *  0.0172% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  15.79 +/- 1.59   0.722% *  0.0250% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  22.45 +/- 2.55   0.278% *  0.0467% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  17.38 +/- 3.48   0.828% *  0.0155% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.759, support = 3.61, residual support = 18.4:
          QD2   LEU  104 - HN    LYS+  99   2.76 +/- 1.69  55.689% * 50.4461% (0.80   3.47  18.85) =  63.939%  kept
          QD1   LEU   98 - HN    LYS+  99   3.62 +/- 1.23  32.798% * 48.1359% (0.69   3.86  17.73) =  35.932%  kept
          QD1   ILE   19 - HN    GLN   30   6.80 +/- 1.26   5.697% *  0.9425% (0.04   1.22  13.91) =   0.122%  kept
          QD1   ILE   19 - HN    LYS+  99  14.22 +/- 3.81   0.510% *  0.2347% (0.65   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    LYS+  99  16.40 +/- 1.75   0.517% *  0.1120% (0.31   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    GLN   30  13.85 +/- 4.24   2.114% *  0.0191% (0.05   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+  99  15.80 +/- 3.98   0.277% *  0.0808% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  12.27 +/- 3.46   1.141% *  0.0164% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  10.64 +/- 1.64   0.972% *  0.0053% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  16.63 +/- 3.06   0.286% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.846, support = 4.22, residual support = 18.4:
          QD1   LEU  104 - HN    LYS+  99   4.21 +/- 1.06  39.633% * 92.6191% (0.87   4.28  18.85) =  97.392%  kept
          QD1   LEU   73 - HN    GLN   30   6.28 +/- 2.97  23.617% *  3.4330% (0.06   2.41   3.11) =   2.151%  kept
          QD1   LEU   63 - HN    GLN   30  13.57 +/- 3.72   8.743% *  1.4266% (0.06   1.00   0.02) =   0.331%  kept
          QD1   LEU   73 - HN    LYS+  99  12.70 +/- 3.54   2.234% *  0.4328% (0.87   0.02   0.02) =   0.026%
          QD1   LEU   63 - HN    LYS+  99  12.89 +/- 3.03   2.077% *  0.4328% (0.87   0.02   0.02) =   0.024%
          QD1   LEU  104 - HN    GLN   30  14.73 +/- 4.64   5.853% *  0.1332% (0.06   0.09   0.02) =   0.021%
          QD2   LEU   80 - HN    GLN   30  15.26 +/- 5.96   4.541% *  0.1309% (0.07   0.08   0.02) =   0.016%
          QD2   LEU  115 - HN    LYS+  99  15.46 +/- 2.19   0.922% *  0.4979% (1.00   0.02   0.02) =   0.012%
          QD2   LEU   80 - HN    LYS+  99  17.34 +/- 3.37   0.689% *  0.4946% (0.99   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    LYS+  99  13.05 +/- 3.50   2.383% *  0.1387% (0.28   0.02   0.02) =   0.009%
          QG1   VAL   83 - HN    LYS+  99  16.99 +/- 4.90   1.231% *  0.2051% (0.41   0.02   0.02) =   0.007%
          QG1   VAL   83 - HN    GLN   30  16.94 +/- 6.15   3.337% *  0.0135% (0.03   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN   30  13.86 +/- 3.33   4.015% *  0.0091% (0.02   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  18.73 +/- 3.34   0.723% *  0.0327% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.08 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   4.13 +/- 0.44  84.132% * 97.5028% (0.65   3.96  10.68) =  99.887%  kept
          HB2   GLU- 100 - HN    LEU   98   9.16 +/- 0.62   8.685% *  0.6825% (0.90   0.02   0.02) =   0.072%
          QG    GLU-  79 - HN    LEU   98  16.83 +/- 3.03   2.035% *  0.6356% (0.84   0.02   0.02) =   0.016%
          QG    GLN   32 - HN    LEU   98  14.78 +/- 3.30   2.657% *  0.4004% (0.53   0.02   0.02) =   0.013%
          HB2   GLN  116 - HN    LEU   98  17.78 +/- 1.95   1.322% *  0.6093% (0.80   0.02   0.02) =   0.010%
          HB2   PRO   58 - HN    LEU   98  18.89 +/- 2.86   1.169% *  0.1694% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.707, support = 3.51, residual support = 27.6:
          HG12  ILE  103 - HN    LEU   98   4.41 +/- 0.71  35.527% * 37.2759% (0.80   3.47  31.78) =  51.190%  kept
          HB    VAL   41 - HN    LEU   98   6.21 +/- 2.62  26.707% * 35.4173% (0.65   4.08  22.81) =  36.562%  kept
          HB    ILE  103 - HN    LEU   98   6.42 +/- 1.37  14.813% * 15.4333% (0.53   2.19  31.78) =   8.837%  kept
          HB3   ASP- 105 - HN    LEU   98   6.90 +/- 0.57   8.455% *  9.6167% (0.45   1.60   5.71) =   3.143%  kept
          QB    LYS+ 106 - HN    LEU   98   7.93 +/- 0.58   5.568% *  1.0431% (0.20   0.39   0.02) =   0.225%  kept
          QB    LYS+  66 - HN    LEU   98  15.11 +/- 4.04   3.069% *  0.1202% (0.45   0.02   0.02) =   0.014%
          HG    LEU  123 - HN    LEU   98  18.44 +/- 5.42   0.856% *  0.2628% (0.98   0.02   0.02) =   0.009%
          HG3   PRO   68 - HN    LEU   98  16.92 +/- 4.41   1.010% *  0.1518% (0.57   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    LEU   98  13.91 +/- 2.57   1.243% *  0.0915% (0.34   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    LEU   98  21.67 +/- 3.09   0.394% *  0.2628% (0.98   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    LEU   98  19.15 +/- 3.89   1.046% *  0.0597% (0.22   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   98  21.57 +/- 2.54   0.339% *  0.1305% (0.49   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   98  16.41 +/- 1.20   0.664% *  0.0597% (0.22   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    LEU   98  22.27 +/- 3.05   0.308% *  0.0746% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.832, support = 4.86, residual support = 76.4:
      O   QB    LEU   98 - HN    LEU   98   2.79 +/- 0.26  67.504% * 97.7240% (0.84  10.0   4.88  76.74) =  99.533%  kept
          HB    VAL   42 - HN    LEU   98   6.98 +/- 3.57  19.293% *  1.5464% (0.18   1.0   1.51   0.32) =   0.450%  kept
          HD3   LYS+ 121 - HN    LEU   98  14.43 +/- 6.17   5.870% *  0.1167% (1.00   1.0   0.02   0.02) =   0.010%
          HB3   LYS+  74 - HN    LEU   98  14.88 +/- 4.08   1.048% *  0.1160% (0.99   1.0   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   98  14.68 +/- 3.81   0.800% *  0.0757% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  13.15 +/- 4.48   2.036% *  0.0260% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   98  17.80 +/- 3.65   0.375% *  0.1147% (0.98   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    LEU   98  13.62 +/- 2.30   0.933% *  0.0399% (0.34   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   98  15.31 +/- 1.53   0.475% *  0.0662% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  18.18 +/- 4.37   0.436% *  0.0616% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  14.55 +/- 2.61   0.614% *  0.0260% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.99 +/- 3.84   0.237% *  0.0662% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.23 +/- 2.95   0.380% *  0.0205% (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 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.927, support = 4.0, residual support = 14.8:
          QD2   LEU   40 - HN    LEU   98   5.83 +/- 4.40  36.968% * 66.7821% (0.97   4.63   9.04) =  74.633%  kept
          QG2   ILE  103 - HN    LEU   98   4.65 +/- 1.02  26.093% * 29.6727% (0.87   2.29  31.78) =  23.406%  kept
          QD1   ILE  103 - HN    LEU   98   5.04 +/- 0.75  22.469% *  2.7330% (0.20   0.92  31.78) =   1.856%  kept
          QD1   LEU   67 - HN    LEU   98  10.17 +/- 3.65   9.148% *  0.2830% (0.95   0.02   0.02) =   0.078%
          HB    VAL   75 - HN    LEU   98  12.03 +/- 3.21   1.753% *  0.2173% (0.73   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HN    LEU   98  16.16 +/- 3.84   1.333% *  0.2287% (0.76   0.02   0.02) =   0.009%
          QD2   LEU   71 - HN    LEU   98  11.17 +/- 3.19   2.234% *  0.0832% (0.28   0.02   0.02) =   0.006%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.623, support = 3.24, residual support = 43.8:
          QD1   LEU   98 - HN    LEU   98   3.77 +/- 0.86  32.133% * 46.3446% (0.38   4.77  76.74) =  49.715%  kept
          QD2   LEU  104 - HN    LEU   98   3.89 +/- 0.89  31.348% * 40.8625% (0.99   1.59   9.41) =  42.764%  kept
          QG1   VAL   41 - HN    LEU   98   5.96 +/- 2.50  19.595% * 10.7020% (0.15   2.68  22.81) =   7.001%  kept
          QG1   VAL   43 - HN    LEU   98   5.65 +/- 1.49  13.864% *  1.0466% (0.28   0.15   0.02) =   0.484%  kept
          QD1   ILE   19 - HN    LEU   98  12.79 +/- 2.80   1.032% *  0.4781% (0.92   0.02   0.02) =   0.016%
          QG2   VAL   18 - HN    LEU   98  13.68 +/- 3.70   1.319% *  0.2521% (0.49   0.02   0.02) =   0.011%
          QG2   THR   46 - HN    LEU   98  13.41 +/- 1.55   0.708% *  0.3141% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.234, support = 4.11, residual support = 41.9:
          QD2   LEU   98 - HN    LEU   98   3.58 +/- 0.91  40.990% * 25.5129% (0.15   4.64  76.74) =  40.842%  kept
          QG2   VAL   41 - HN    LEU   98   5.73 +/- 2.19  21.379% * 44.7179% (0.28   4.52  22.81) =  37.337%  kept
          QD1   LEU  104 - HN    LEU   98   5.19 +/- 1.13  20.329% * 27.0096% (0.31   2.46   9.41) =  21.443%  kept
          QD2   LEU   63 - HN    LEU   98  10.01 +/- 3.52   6.507% *  0.5948% (0.84   0.02   0.02) =   0.151%  kept
          QD1   LEU   63 - HN    LEU   98   9.75 +/- 3.11   3.951% *  0.6386% (0.90   0.02   0.02) =   0.099%
          QD1   LEU   73 - HN    LEU   98  10.18 +/- 3.41   3.482% *  0.6386% (0.90   0.02   0.02) =   0.087%
          QD2   LEU  115 - HN    LEU   98  12.45 +/- 2.06   1.420% *  0.4031% (0.57   0.02   0.02) =   0.022%
          QD2   LEU   80 - HN    LEU   98  15.11 +/- 2.97   0.979% *  0.3746% (0.53   0.02   0.02) =   0.014%
          QD1   LEU   80 - HN    LEU   98  15.43 +/- 3.55   0.962% *  0.1099% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.16 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   2.91 +/- 0.57  75.304% * 96.1043% (0.95  10.0   4.81  62.24) =  99.251%  kept
          QE    LYS+ 106 - HN    PHE   97   5.71 +/- 1.00  14.832% *  3.6490% (0.53   1.0   1.37  11.23) =   0.742%  kept
          QE    LYS+  99 - HN    PHE   97   9.38 +/- 0.98   3.550% *  0.0616% (0.61   1.0   0.02   0.02) =   0.003%
          HB3   TRP   27 - HN    PHE   97  15.21 +/- 4.22   1.474% *  0.0980% (0.97   1.0   0.02   0.02) =   0.002%
          HB3   PHE   60 - HN    PHE   97  11.96 +/- 2.67   1.609% *  0.0347% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    PHE   97   9.94 +/- 1.18   2.505% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    PHE   97  15.01 +/- 1.65   0.726% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 44.3:
          HG2   MET   96 - HN    PHE   97   3.84 +/- 0.62  96.823% * 99.4687% (0.73   5.59  44.29) =  99.993%  kept
          HB2   PRO   52 - HN    PHE   97  19.49 +/- 3.50   1.114% *  0.4092% (0.84   0.02   0.02) =   0.005%
          HB2   ASP-  62 - HN    PHE   97  15.86 +/- 2.49   2.063% *  0.1222% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.90 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 = 61.8:
      O   HB3   PHE   97 - HN    PHE   97   2.88 +/- 0.56  85.094% * 93.7717% (0.34  10.0   5.16  62.24) =  99.242%  kept
          HB    VAL  107 - HN    PHE   97   6.36 +/- 0.55  11.100% *  5.4238% (0.28   1.0   1.42   5.63) =   0.749%  kept
          QG    GLU-  79 - HN    PHE   97  16.64 +/- 3.08   1.140% *  0.2743% (1.00   1.0   0.02   0.02) =   0.004%
          HB2   GLU- 100 - HN    PHE   97  12.63 +/- 0.76   1.290% *  0.1667% (0.61   1.0   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    PHE   97  17.40 +/- 3.27   0.664% *  0.2296% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  15.54 +/- 1.96   0.713% *  0.1338% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 4.33 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 = 0.66, support = 4.69, residual support = 52.3:
          HB2   ASP- 105 - HN    PHE   97   5.03 +/- 0.87  34.170% * 63.3151% (0.98   3.44  59.63) =  52.315%  kept
          HB2   MET   96 - HN    PHE   97   4.10 +/- 0.54  55.905% * 35.2325% (0.31   6.07  44.29) =  47.629%  kept
          HG2   GLU- 100 - HN    PHE   97  13.05 +/- 1.04   2.119% *  0.2874% (0.76   0.02   0.02) =   0.015%
          HB3   ASP-  76 - HN    PHE   97  16.55 +/- 3.55   1.680% *  0.3141% (0.84   0.02   0.02) =   0.013%
          HG12  ILE  119 - HN    PHE   97  13.18 +/- 3.54   3.119% *  0.1546% (0.41   0.02   0.44) =   0.012%
          HG3   MET   92 - HN    PHE   97  15.36 +/- 1.39   1.278% *  0.3372% (0.90   0.02   0.02) =   0.010%
          HB2   GLU-  29 - HN    PHE   97  19.82 +/- 3.55   0.732% *  0.3011% (0.80   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   97  17.73 +/- 2.63   0.997% *  0.0580% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.06, residual support = 44.2:
          HB3   MET   96 - HN    PHE   97   4.16 +/- 0.31  88.266% * 91.3832% (0.15   6.07  44.29) =  99.820%  kept
          HB2   MET   92 - HN    PHE   97  14.75 +/- 0.94   2.105% *  1.6923% (0.87   0.02   0.02) =   0.044%
          HB3   GLN   30 - HN    PHE   97  15.61 +/- 3.06   2.313% *  1.4167% (0.73   0.02   0.02) =   0.041%
          HB3   PRO   58 - HN    PHE   97  17.85 +/- 2.22   1.460% *  1.9123% (0.98   0.02   0.02) =   0.035%
          HB    ILE   56 - HN    PHE   97  14.51 +/- 2.07   2.835% *  0.7322% (0.38   0.02   0.02) =   0.026%
          HB3   LYS+  38 - HN    PHE   97  16.32 +/- 1.88   1.721% *  1.0265% (0.53   0.02   0.02) =   0.022%
          HB3   GLU-  14 - HN    PHE   97  23.20 +/- 3.63   1.000% *  0.7322% (0.38   0.02   0.02) =   0.009%
          HG3   MET   11 - HN    PHE   97  31.07 +/- 4.43   0.299% *  1.1046% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.62, support = 2.26, residual support = 2.93:
          QG2   ILE  103 - HN    PHE   97   3.33 +/- 0.56  76.052% * 62.7383% (0.61   2.38   3.10) =  90.950%  kept
          QD2   LEU   40 - HN    PHE   97   7.97 +/- 3.00  13.338% * 35.1665% (0.76   1.06   1.30) =   8.941%  kept
          QD1   LEU   67 - HN    PHE   97  11.35 +/- 2.76   4.271% *  0.6318% (0.73   0.02   0.02) =   0.051%
          HB    VAL   75 - HN    PHE   97  11.78 +/- 2.84   2.352% *  0.8230% (0.95   0.02   0.02) =   0.037%
          QD1   ILE  119 - HN    PHE   97  11.98 +/- 2.65   2.861% *  0.2169% (0.25   0.02   0.44) =   0.012%
          HG3   LYS+  74 - HN    PHE   97  16.69 +/- 3.30   1.126% *  0.4235% (0.49   0.02   0.02) =   0.009%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.237, support = 3.98, residual support = 11.9:
          HB3   PHE   95 - HN    MET   96   3.76 +/- 0.34  87.995% * 83.7729% (0.24   3.99  11.97) =  99.602%  kept
          HG3   GLN  116 - HN    MET   96  15.37 +/- 1.38   1.505% * 13.2930% (0.46   0.32   0.02) =   0.270%  kept
          HB3   TRP   87 - HN    MET   96  14.24 +/- 5.29   8.043% *  0.9524% (0.54   0.02   0.02) =   0.103%  kept
          HG2   GLU-  25 - HN    MET   96  20.59 +/- 3.70   0.738% *  1.6489% (0.93   0.02   0.02) =   0.016%
          HG2   GLN  116 - HN    MET   96  14.69 +/- 1.31   1.719% *  0.3329% (0.19   0.02   0.02) =   0.008%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.03, residual support = 115.4:
      O   HB2   MET   96 - HN    MET   96   2.70 +/- 0.40  80.455% * 99.6054% (0.94  10.0   4.03 115.43) =  99.986%  kept
          HB3   ASP-  76 - HN    MET   96  12.98 +/- 3.05  10.193% *  0.0686% (0.65   1.0   0.02   0.02) =   0.009%
          HB2   ASP- 105 - HN    MET   96   8.18 +/- 1.09   5.633% *  0.0448% (0.42   1.0   0.02   0.02) =   0.003%
          HB    VAL   70 - HN    MET   96  11.65 +/- 2.40   1.367% *  0.0725% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.72 +/- 0.95   0.471% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  16.71 +/- 3.37   0.508% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  12.51 +/- 1.25   1.109% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  20.30 +/- 3.39   0.263% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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   2.81 +/- 0.34  94.126% * 99.5022% (0.57  10.0   3.97 115.43) =  99.994%  kept
          HB2   LEU   40 - HN    MET   96  11.67 +/- 1.32   1.581% *  0.1552% (0.89   1.0   0.02   0.02) =   0.003%
          HB3   ARG+  54 - HN    MET   96  16.52 +/- 2.75   0.852% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    MET   96  15.54 +/- 5.09   1.248% *  0.0863% (0.50   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  12.56 +/- 2.41   1.702% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  22.05 +/- 3.68   0.384% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.98 +/- 3.99   0.108% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.197, support = 1.46, residual support = 15.7:
          HB    VAL   43 - HN    MET   96   3.65 +/- 0.67  77.046% * 60.0644% (0.19   1.50  16.20) =  96.860%  kept
          HG2   PRO   93 - HN    MET   96  10.45 +/- 0.96   4.594% * 23.2275% (0.46   0.24   0.02) =   2.234%  kept
          QB    LYS+  65 - HN    MET   96  12.75 +/- 1.96   4.592% *  3.3802% (0.79   0.02   0.02) =   0.325%  kept
          HB2   LEU   71 - HN    MET   96  14.08 +/- 2.46   2.442% *  3.5103% (0.82   0.02   0.02) =   0.179%  kept
          QB    LYS+ 102 - HN    MET   96  12.03 +/- 0.79   2.599% *  2.9386% (0.69   0.02   0.02) =   0.160%  kept
          HB2   LYS+  99 - HN    MET   96  11.44 +/- 0.60   3.111% *  1.1252% (0.26   0.02   0.02) =   0.073%
          HB3   GLN   17 - HN    MET   96  18.86 +/- 3.51   0.879% *  3.7357% (0.87   0.02   0.02) =   0.069%
          QD    LYS+  81 - HN    MET   96  16.85 +/- 3.80   2.434% *  1.0091% (0.24   0.02   0.02) =   0.051%
          QB    LYS+  66 - HN    MET   96  13.78 +/- 2.55   2.302% *  1.0091% (0.24   0.02   0.02) =   0.049%
    Distance limit 4.08 A violated in 0 structures by 0.09 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 1.7, residual support = 3.4:
          QG2   THR   94 - HN    MET   96   4.13 +/- 0.48  75.251% * 92.9687% (0.85   1.71   3.42) =  99.419%  kept
          HB3   LYS+ 112 - HN    MET   96  14.15 +/- 2.59   6.973% *  4.0877% (0.82   0.08   0.02) =   0.405%  kept
          HD2   LYS+ 112 - HN    MET   96  14.64 +/- 3.28   5.549% *  1.1889% (0.93   0.02   0.02) =   0.094%
          HB3   LEU   71 - HN    MET   96  14.53 +/- 2.23   2.512% *  1.1474% (0.89   0.02   0.02) =   0.041%
          HG12  ILE   89 - HN    MET   96  13.54 +/- 4.05   5.706% *  0.2700% (0.21   0.02   0.02) =   0.022%
          HG3   LYS+ 111 - HN    MET   96  13.78 +/- 2.34   4.009% *  0.3372% (0.26   0.02   0.02) =   0.019%
    Distance limit 4.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.94, residual support = 16.1:
          QG1   VAL   43 - HN    MET   96   3.60 +/- 0.91  67.616% * 93.4359% (0.76   2.96  16.20) =  99.281%  kept
          QG2   THR   46 - HN    MET   96   9.01 +/- 1.42   7.801% *  4.0661% (0.94   0.10   0.02) =   0.498%  kept
          QD2   LEU  104 - HN    MET   96   8.27 +/- 1.24  10.291% *  0.5731% (0.69   0.02   0.02) =   0.093%
          QG1   VAL   41 - HN    MET   96   8.38 +/- 1.45   9.090% *  0.4787% (0.57   0.02   0.02) =   0.068%
          QG2   VAL   18 - HN    MET   96  13.11 +/- 3.67   3.306% *  0.7616% (0.91   0.02   0.02) =   0.040%
          QD1   ILE   19 - HN    MET   96  13.59 +/- 1.96   1.897% *  0.6846% (0.82   0.02   0.02) =   0.020%
    Distance limit 4.77 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 = 0.767, support = 0.663, residual support = 0.207:
          QD1   LEU   63 - HN    MET   96   7.75 +/- 2.73  16.118% * 31.8679% (0.85   0.71   0.25) =  38.816%  kept
          QD1   LEU   73 - HN    MET   96   8.95 +/- 3.18  14.462% * 20.3563% (0.85   0.46   0.11) =  22.247%  kept
          QD2   LEU  115 - HN    MET   96   9.26 +/- 2.17  10.223% * 27.7441% (0.54   0.98   0.19) =  21.433%  kept
          QD2   LEU   63 - HN    MET   96   8.56 +/- 2.72  11.823% * 18.6149% (0.79   0.45   0.25) =  16.631%  kept
          QG2   VAL   41 - HN    MET   96   7.45 +/- 0.97  11.658% *  0.2771% (0.26   0.02   0.02) =   0.244%  kept
          QD1   LEU  104 - HN    MET   96   9.25 +/- 1.96   9.597% *  0.3076% (0.29   0.02   0.02) =   0.223%  kept
          QD2   LEU   98 - HN    MET   96   6.59 +/- 1.04  18.270% *  0.1538% (0.15   0.02   0.16) =   0.212%  kept
          QD2   LEU   80 - HN    MET   96  12.44 +/- 2.38   3.640% *  0.5244% (0.50   0.02   0.02) =   0.144%  kept
          QD1   LEU   80 - HN    MET   96  12.56 +/- 3.13   4.209% *  0.1538% (0.15   0.02   0.02) =   0.049%
    Distance limit 4.69 A violated in 0 structures by 0.35 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 = 0.581, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96  10.51 +/- 4.25  35.684% * 55.1266% (0.72   0.02   0.02) =  58.645%  kept
          QG2   VAL   83 - HN    MET   96  10.84 +/- 3.93  29.956% * 35.1112% (0.46   0.02   0.02) =  31.356%  kept
          QD2   LEU   31 - HN    MET   96  10.85 +/- 3.01  34.360% *  9.7622% (0.13   0.02   0.02) =  10.000%  kept
    Distance limit 4.55 A violated in 15 structures by 3.04 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   2.64 +/- 0.34 100.000% *100.0000% (0.87  10.0   3.86  73.46) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.46 +/- 0.43  97.217% * 99.8580% (0.98  10.0   4.19  73.46) =  99.997%  kept
          HG2   GLN  116 - HN    PHE   95  12.63 +/- 1.34   2.343% *  0.0964% (0.95   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HN    PHE   95  23.11 +/- 3.54   0.440% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.984, support = 3.08, residual support = 41.1:
          HB    VAL  107 - HN    PHE   95   3.68 +/- 0.40  67.819% * 89.7246% (0.99   3.15  41.95) =  97.688%  kept
          QE    LYS+ 112 - HN    PHE   95  10.03 +/- 2.84  18.277% *  5.1133% (0.69   0.26   4.12) =   1.500%  kept
          HB3   PHE   45 - HN    PHE   95   7.20 +/- 0.80  11.248% *  4.4373% (0.69   0.22   1.89) =   0.801%  kept
          QG    GLU-  79 - HN    PHE   95  15.08 +/- 2.63   1.879% *  0.2159% (0.38   0.02   0.02) =   0.007%
          QG    GLN   32 - HN    PHE   95  20.43 +/- 2.50   0.471% *  0.3951% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    PHE   95  23.33 +/- 2.55   0.306% *  0.1138% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.806, support = 4.37, residual support = 17.3:
          QG2   THR   94 - HN    PHE   95   2.61 +/- 0.43  65.925% * 79.3182% (0.87   4.37  14.82) =  90.817%  kept
          QG2   VAL  107 - HN    PHE   95   3.85 +/- 0.77  28.258% * 18.5924% (0.20   4.49  41.95) =   9.125%  kept
          HB3   LYS+ 112 - HN    PHE   95  11.11 +/- 2.36   1.663% *  1.4593% (0.90   0.08   4.12) =   0.042%
          HD2   LYS+ 112 - HN    PHE   95  11.80 +/- 3.04   2.336% *  0.2039% (0.49   0.02   4.12) =   0.008%
          HG13  ILE  103 - HN    PHE   95  10.43 +/- 1.41   1.565% *  0.2540% (0.61   0.02   0.02) =   0.007%
          HB3   LEU   71 - HN    PHE   95  17.42 +/- 1.29   0.252% *  0.1722% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.68 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   2.60 +/- 0.20  89.645% * 98.9931% (0.65  10.0   3.08  24.98) =  99.988%  kept
          QB    SER   85 - HN    THR   94  13.82 +/- 3.39   2.777% *  0.1477% (0.97   1.0   0.02   0.02) =   0.005%
          HA    LYS+  65 - HN    THR   94  14.48 +/- 2.46   1.277% *  0.1413% (0.92   1.0   0.02   0.02) =   0.002%
          QB    SER   48 - HN    THR   94  11.16 +/- 0.84   1.243% *  0.1169% (0.76   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    THR   94  11.73 +/- 2.26   1.327% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  13.92 +/- 2.33   0.851% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  17.99 +/- 1.55   0.309% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    THR   94  23.32 +/- 5.46   0.223% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.23 +/- 1.25   0.777% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  13.13 +/- 2.56   1.098% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.93 +/- 2.07   0.270% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.43 +/- 2.54   0.205% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 27.6:
          HB2   PHE   45 - HN    THR   94   2.87 +/- 1.05  80.723% * 98.8926% (0.95   2.96  27.69) =  99.835%  kept
          QE    LYS+ 111 - HN    THR   94  12.27 +/- 2.70  17.958% *  0.7071% (1.00   0.02   0.02) =   0.159%  kept
          HB2   CYS   21 - HN    THR   94  16.06 +/- 4.02   1.319% *  0.4003% (0.57   0.02   0.02) =   0.007%
    Distance limit 4.17 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 = 0.542, support = 1.43, residual support = 25.1:
          HB3   PHE   45 - HN    THR   94   4.09 +/- 0.79  59.463% * 58.9336% (0.57   1.50  27.69) =  90.278%  kept
          HB    VAL  107 - HN    THR   94   7.57 +/- 0.46  12.002% * 15.7552% (0.20   1.15   0.02) =   4.871%  kept
          HG3   MET   96 - HN    THR   94   9.11 +/- 1.14   8.496% * 11.2504% (0.28   0.58   3.42) =   2.462%  kept
          QE    LYS+ 112 - HN    THR   94  10.60 +/- 2.31   7.620% * 10.1684% (0.57   0.26   0.02) =   1.996%  kept
          HB3   ASP-  86 - HN    THR   94  13.03 +/- 3.47   8.086% *  1.3756% (0.99   0.02   0.02) =   0.287%  kept
          HB3   ASP-  62 - HN    THR   94  12.72 +/- 2.11   3.341% *  0.9534% (0.69   0.02   0.02) =   0.082%
          HG2   GLU-  29 - HN    THR   94  23.14 +/- 2.63   0.632% *  1.3756% (0.99   0.02   0.02) =   0.022%
          HG2   GLU-  36 - HN    THR   94  24.95 +/- 1.62   0.359% *  0.1878% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.38, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.99 +/- 0.28  72.533% * 99.5171% (0.98  10.0   4.39  15.64) =  99.977%  kept
          HB    VAL  108 - HN    THR   94   8.74 +/- 1.47   8.759% *  0.0697% (0.69   1.0   0.02   0.02) =   0.008%
          HB2   ARG+  54 - HN    THR   94  12.62 +/- 2.77   7.127% *  0.0776% (0.76   1.0   0.02   0.02) =   0.008%
          HG3   PRO   52 - HN    THR   94  12.96 +/- 2.88   3.727% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    THR   94  12.99 +/- 1.78   2.507% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    THR   94  14.04 +/- 1.78   2.037% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.62 +/- 2.55   1.273% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    THR   94  21.27 +/- 1.17   0.515% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  25.46 +/- 4.00   0.394% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.96 +/- 2.60   0.940% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  32.28 +/- 4.29   0.189% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.888, support = 2.82, residual support = 15.3:
      O   HB3   PRO   93 - HN    THR   94   3.73 +/- 0.37  50.853% * 94.8837% (0.90  10.0   2.84  15.64) =  97.961%  kept
          HB3   ASP-  44 - HN    THR   94   5.52 +/- 1.09  23.046% *  4.2840% (0.49   1.0   1.66   0.02) =   2.004%  kept
          HB3   LEU   73 - HN    THR   94  12.02 +/- 3.08   4.120% *  0.0684% (0.65   1.0   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    THR   94  10.52 +/- 2.07   2.967% *  0.0918% (0.87   1.0   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    THR   94  10.83 +/- 1.29   2.310% *  0.0918% (0.87   1.0   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HN    THR   94  12.09 +/- 2.02   2.539% *  0.0809% (0.76   1.0   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    THR   94  10.51 +/- 1.56   3.422% *  0.0599% (0.57   1.0   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    THR   94  13.62 +/- 2.08   1.514% *  0.0809% (0.76   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    THR   94  10.96 +/- 2.34   2.856% *  0.0397% (0.38   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    THR   94  14.50 +/- 2.85   1.800% *  0.0599% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   94  12.43 +/- 2.56   2.520% *  0.0294% (0.28   1.0   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    THR   94  18.69 +/- 1.43   0.439% *  0.0684% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  19.73 +/- 1.35   0.357% *  0.0727% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    THR   94  21.17 +/- 2.26   0.365% *  0.0515% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.40 +/- 2.97   0.621% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.68 +/- 3.62   0.271% *  0.0185% (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 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.356, support = 3.4, residual support = 24.2:
          QG2   THR   94 - HN    THR   94   3.62 +/- 0.35  79.344% * 64.9116% (0.34   3.51  24.98) =  96.189%  kept
          HG12  ILE   89 - HN    THR   94   9.92 +/- 2.53   6.133% * 31.0613% (0.76   0.75   5.06) =   3.558%  kept
          HG3   LYS+ 111 - HN    THR   94  12.07 +/- 2.69   6.978% *  0.9053% (0.84   0.02   0.02) =   0.118%  kept
          HB3   LYS+ 112 - HN    THR   94  12.20 +/- 2.05   3.381% *  1.2997% (0.31   0.08   0.02) =   0.082%
          HD2   LYS+ 112 - HN    THR   94  12.64 +/- 2.61   2.648% *  0.7870% (0.73   0.02   0.02) =   0.039%
          HB3   LEU   71 - HN    THR   94  17.60 +/- 1.31   0.754% *  0.8679% (0.80   0.02   0.02) =   0.012%
          HG    LEU   71 - HN    THR   94  17.67 +/- 1.96   0.763% *  0.1672% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.49 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 = 0.747, residual support = 5.04:
          QG2   ILE   89 - HN    THR   94   7.01 +/- 2.25  69.228% * 99.1801% (0.90   0.75   5.06) =  99.634%  kept
          QG1   VAL   83 - HN    THR   94  10.19 +/- 2.32  30.772% *  0.8199% (0.28   0.02   0.02) =   0.366%  kept
    Distance limit 4.64 A violated in 9 structures by 2.12 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.381, support = 2.95, residual support = 42.6:
          HG3   MET   92 - HN    MET   92   4.05 +/- 0.39  64.214% * 32.4141% (0.14   4.04  62.67) =  67.785%  kept
          QG    GLN   90 - HN    MET   92   6.99 +/- 0.86  16.224% * 41.5837% (0.87   0.81   0.17) =  21.971%  kept
          HB2   ASP-  44 - HN    MET   92  10.45 +/- 2.42  14.863% * 20.8615% (0.98   0.36   0.38) =  10.097%  kept
          QG    GLU-  15 - HN    MET   92  26.32 +/- 6.56   1.606% *  1.1849% (1.00   0.02   0.02) =   0.062%
          HB3   PHE   72 - HN    MET   92  17.87 +/- 2.07   0.899% *  1.0938% (0.92   0.02   0.02) =   0.032%
          QG    GLU-  14 - HN    MET   92  26.56 +/- 5.69   0.601% *  1.1436% (0.97   0.02   0.02) =   0.022%
          HG12  ILE  119 - HN    MET   92  16.95 +/- 1.44   0.956% *  0.6234% (0.53   0.02   0.02) =   0.019%
          QB    MET   11 - HN    MET   92  32.13 +/- 5.19   0.291% *  0.8604% (0.73   0.02   0.02) =   0.008%
          HB2   GLU-  29 - HN    MET   92  25.64 +/- 3.14   0.346% *  0.2345% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 3.93, residual support = 62.6:
      O   HB2   MET   92 - HN    MET   92   2.45 +/- 0.39  82.079% * 97.6085% (1.00  10.0   3.94  62.67) =  99.874%  kept
          HB3   GLN   90 - HN    MET   92   6.95 +/- 0.57   4.981% *  1.9562% (0.18   1.0   2.28   0.17) =   0.121%  kept
          QB    LYS+  81 - HN    MET   92  12.68 +/- 3.09   9.586% *  0.0218% (0.22   1.0   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    MET   92  11.60 +/- 2.95   1.590% *  0.0633% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  16.57 +/- 1.71   0.321% *  0.0944% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.33 +/- 1.13   0.874% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.82 +/- 2.96   0.184% *  0.0925% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  27.00 +/- 2.93   0.097% *  0.0783% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.31 +/- 6.22   0.117% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  36.72 +/- 6.34   0.053% *  0.0302% (0.31   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.13 +/- 2.43   0.117% *  0.0132% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 4.28, residual support = 62.2:
      O   HB3   MET   92 - HN    MET   92   3.44 +/- 0.20  67.635% * 94.2326% (0.57  10.0   4.29  62.67) =  99.244%  kept
          HG3   PRO   93 - HN    MET   92   6.72 +/- 0.39   9.465% *  4.9556% (0.20   1.0   3.01   1.91) =   0.730%  kept
          HB    ILE   89 - HN    MET   92   7.54 +/- 1.74  13.506% *  0.0415% (0.25   1.0   0.02   0.02) =   0.009%
          QG1   ILE   56 - HN    MET   92  10.12 +/- 2.38   3.537% *  0.1272% (0.76   1.0   0.02   0.02) =   0.007%
          QD    LYS+ 106 - HN    MET   92  12.88 +/- 1.61   1.538% *  0.1493% (0.90   1.0   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    MET   92  14.97 +/- 3.83   2.284% *  0.0746% (0.45   1.0   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    MET   92  16.42 +/- 3.37   1.278% *  0.1209% (0.73   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    MET   92  22.30 +/- 1.49   0.268% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  23.21 +/- 1.25   0.236% *  0.1077% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  23.08 +/- 2.15   0.252% *  0.0371% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 3.65, residual support = 14.6:
          QB    ALA   91 - HN    MET   92   2.70 +/- 0.60  90.199% * 96.7896% (1.00   3.65  14.58) =  99.960%  kept
          QG2   ILE   56 - HN    MET   92   8.75 +/- 2.46   5.337% *  0.3648% (0.69   0.02   0.02) =   0.022%
          HG2   LYS+  74 - HN    MET   92  14.30 +/- 2.92   2.218% *  0.3436% (0.65   0.02   0.02) =   0.009%
          QG2   THR   39 - HN    MET   92  21.11 +/- 2.70   0.365% *  0.5299% (1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    MET   92  23.15 +/- 4.91   0.383% *  0.4607% (0.87   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    MET   92  18.92 +/- 2.17   0.478% *  0.2585% (0.49   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    MET   92  22.53 +/- 3.43   0.289% *  0.3221% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  24.73 +/- 1.22   0.175% *  0.3648% (0.69   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  27.97 +/- 3.09   0.129% *  0.4607% (0.87   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  19.33 +/- 2.87   0.427% *  0.1051% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 2.48, residual support = 7.59:
          HA    ILE   89 - HN    ALA   91   3.99 +/- 0.46  76.170% * 96.1924% (0.61   2.48   7.59) =  99.950%  kept
          HB    THR  118 - HN    ALA   91  19.21 +/- 1.47   0.783% *  1.2080% (0.95   0.02   0.02) =   0.013%
          HB3   SER   82 - HN    ALA   91  13.01 +/- 2.30   3.888% *  0.2236% (0.18   0.02   0.02) =   0.012%
          HB    THR  118 - HN    TRP   27  21.11 +/- 5.16   2.225% *  0.1493% (0.12   0.02   0.02) =   0.005%
          QB    SER   13 - HN    TRP   27  17.22 +/- 3.48   3.836% *  0.0649% (0.05   0.02   0.02) =   0.003%
          QB    SER   13 - HN    ALA   91  29.76 +/- 5.16   0.435% *  0.5250% (0.41   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    ALA   91  28.78 +/- 3.58   0.286% *  0.7745% (0.61   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    TRP   27  14.11 +/- 1.58   2.200% *  0.0957% (0.07   0.02   0.02) =   0.003%
          HB    THR   39 - HN    ALA   91  26.72 +/- 2.97   0.345% *  0.5725% (0.45   0.02   0.02) =   0.003%
          HB3   SER   82 - HN    TRP   27  19.61 +/- 9.07   7.120% *  0.0276% (0.02   0.02   0.02) =   0.003%
          HB    THR   39 - HN    TRP   27  15.35 +/- 3.01   2.016% *  0.0707% (0.06   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    TRP   27  23.19 +/- 4.92   0.698% *  0.0957% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.12 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.709, support = 4.89, residual support = 31.7:
          HB2   GLN   90 - HN    ALA   91   3.91 +/- 0.85  43.586% * 91.8017% (0.73   4.95  32.54) =  97.369%  kept
          HB2   GLU-  25 - HN    TRP   27   5.06 +/- 0.23  22.576% *  2.5304% (0.02   4.06   0.59) =   1.390%  kept
          HG3   GLU-  29 - HN    TRP   27   6.16 +/- 0.57  12.920% *  3.1264% (0.11   1.11   0.02) =   0.983%  kept
          HB3   GLU-  29 - HN    TRP   27   6.65 +/- 0.58  11.342% *  0.8695% (0.07   0.52   0.02) =   0.240%  kept
          HB3   GLU-  79 - HN    ALA   91  12.96 +/- 3.11   3.696% *  0.1010% (0.20   0.02   0.02) =   0.009%
          HG3   GLU-  29 - HN    ALA   91  27.59 +/- 4.19   0.208% *  0.4577% (0.90   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ALA   91  29.18 +/- 3.67   0.138% *  0.4828% (0.95   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    ALA   91  27.66 +/- 4.03   0.192% *  0.2685% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  17.38 +/- 1.57   0.667% *  0.0597% (0.12   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  15.68 +/- 6.11   2.707% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  25.27 +/- 4.37   0.297% *  0.1010% (0.20   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    ALA   91  27.92 +/- 3.25   0.155% *  0.1273% (0.25   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.73 +/- 0.69   1.160% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  24.33 +/- 4.75   0.357% *  0.0458% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.968, support = 4.89, residual support = 32.0:
          HB3   GLN   90 - HN    ALA   91   3.74 +/- 0.68  41.678% * 89.4187% (0.99   4.95  32.54) =  97.306%  kept
          HB2   MET   92 - HN    ALA   91   5.60 +/- 1.06  14.050% *  7.0712% (0.15   2.52  14.58) =   2.594%  kept
          QB    LYS+  81 - HN    ALA   91  11.06 +/- 1.96   3.481% *  0.3515% (0.97   0.02   0.02) =   0.032%
          HG2   ARG+  54 - HN    ALA   91  14.28 +/- 2.30   1.135% *  0.3515% (0.97   0.02   0.02) =   0.010%
          QB    LYS+ 106 - HN    ALA   91  14.06 +/- 2.07   1.157% *  0.3446% (0.95   0.02   0.02) =   0.010%
          HB3   PRO   52 - HN    ALA   91  11.96 +/- 3.78   3.624% *  0.0908% (0.25   0.02   0.02) =   0.009%
          HB    ILE   56 - HN    ALA   91  13.95 +/- 2.89   1.169% *  0.2062% (0.57   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    TRP   27   5.21 +/- 0.78  20.331% *  0.0112% (0.03   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    TRP   27   9.13 +/- 0.85   3.769% *  0.0450% (0.12   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    ALA   91  20.35 +/- 3.37   0.448% *  0.3446% (0.95   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    ALA   91  25.25 +/- 4.62   0.424% *  0.3363% (0.92   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ALA   91  20.17 +/- 2.45   0.388% *  0.3570% (0.98   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    TRP   27  20.55 +/- 5.64   2.199% *  0.0441% (0.12   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    ALA   91  25.33 +/- 2.99   0.199% *  0.3643% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  18.19 +/- 6.44   1.278% *  0.0434% (0.12   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    TRP   27  19.59 +/- 5.27   0.780% *  0.0426% (0.12   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  23.00 +/- 3.91   0.329% *  0.0908% (0.25   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    TRP   27  18.80 +/- 3.69   0.652% *  0.0426% (0.12   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ALA   91  28.52 +/- 3.65   0.125% *  0.1498% (0.41   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  25.39 +/- 2.24   0.161% *  0.0908% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  24.34 +/- 4.64   0.296% *  0.0446% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  21.04 +/- 2.68   0.257% *  0.0415% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  17.86 +/- 1.84   0.527% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  24.17 +/- 3.87   0.197% *  0.0434% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  23.00 +/- 3.20   0.226% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  24.03 +/- 5.23   0.461% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  22.19 +/- 3.23   0.532% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  26.98 +/- 2.61   0.126% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.14 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   2.47 +/- 0.25  74.981% * 99.2924% (0.92  10.0   3.61  14.50) =  99.995%  kept
          QG2   ILE   56 - HN    ALA   91  10.62 +/- 2.25   1.322% *  0.0993% (0.92   1.0   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    TRP   27   4.84 +/- 0.88  14.915% *  0.0055% (0.05   1.0   0.02   1.24) =   0.001%
          HG2   LYS+  74 - HN    ALA   91  15.37 +/- 2.43   0.585% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   8.64 +/- 0.96   2.099% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  20.15 +/- 2.85   0.191% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  22.57 +/- 3.05   0.141% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.72 +/- 2.77   1.060% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  19.85 +/- 3.76   0.268% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.21 +/- 0.99   1.310% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  24.74 +/- 5.17   0.127% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.42 +/- 3.97   0.057% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  24.31 +/- 3.40   0.107% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.60 +/- 6.11   0.694% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  18.24 +/- 2.99   0.305% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  12.98 +/- 2.79   0.733% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  26.14 +/- 2.79   0.078% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.22 +/- 1.75   0.214% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.56 +/- 2.35   0.598% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.71 +/- 2.22   0.217% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.378, support = 0.02, residual support = 0.02:
          HB3   TRP   87 - HE22  GLN   90  10.80 +/- 1.55  33.978% * 18.6359% (0.49   0.02   0.02) =  53.458%  kept
          HG2   GLU-  36 - HE22  GLN   32   9.68 +/- 1.89  44.717% *  7.7282% (0.20   0.02   0.02) =  29.176%  kept
          HG3   MET   96 - HE22  GLN   90  20.72 +/- 3.14   5.077% * 11.8170% (0.31   0.02   0.02) =   5.065%  kept
          HG3   GLN  116 - HE22  GLN   90  25.88 +/- 3.02   2.454% * 21.6759% (0.57   0.02   0.02) =   4.491%  kept
          HG3   MET   96 - HE22  GLN   32  21.34 +/- 4.82   7.176% *  4.5337% (0.12   0.02   0.02) =   2.747%  kept
          HB3   TRP   87 - HE22  GLN   32  30.02 +/- 6.84   4.028% *  7.1499% (0.19   0.02   0.02) =   2.432%  kept
          HG2   GLU-  36 - HE22  GLN   90  36.48 +/- 3.35   0.829% * 20.1433% (0.53   0.02   0.02) =   1.410%  kept
          HG3   GLN  116 - HE22  GLN   32  31.38 +/- 5.09   1.740% *  8.3162% (0.22   0.02   0.02) =   1.222%  kept
    Distance limit 5.50 A violated in 19 structures by 2.99 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.28, residual support = 159.8:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.91 +/- 0.01  98.271% * 99.2019% (0.18  10.0   5.28 159.85) =  99.992%  kept
          HA    ALA   20 - HN    LYS+ 102  20.61 +/- 5.33   1.015% *  0.5652% (1.00   1.0   0.02   0.02) =   0.006%
          HA    LEU   71 - HN    LYS+ 102  17.74 +/- 5.39   0.714% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.41 +/- 0.23  89.551% * 99.3899% (0.61  10.0   3.13  12.50) =  99.992%  kept
          HA    ALA   34 - HN    LYS+ 102  13.74 +/- 5.44   3.876% *  0.0674% (0.41   1.0   0.02   0.02) =   0.003%
          HA    THR   26 - HN    LYS+ 102  20.39 +/- 6.04   0.986% *  0.1624% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LYS+ 102  16.36 +/- 5.46   1.764% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  21.05 +/- 1.94   0.429% *  0.1252% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    LYS+ 102  20.13 +/- 5.32   0.987% *  0.0506% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  25 - HN    LYS+ 102  20.57 +/- 6.32   1.476% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.33 +/- 3.38   0.362% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  19.23 +/- 2.12   0.569% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.01 +/- 0.47  98.686% * 99.6785% (0.28  10.0   3.13  12.50) =  99.998%  kept
          HB2   TRP   27 - HN    LYS+ 102  18.07 +/- 5.71   1.036% *  0.1607% (0.45   1.0   0.02   0.02) =   0.002%
          HD2   PRO   93 - HN    LYS+ 102  23.12 +/- 1.06   0.278% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.826, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  19.20 +/- 5.35  13.589% * 13.6482% (0.95   0.02   0.02) =  17.224%  kept
          HB    ILE   19 - HN    LYS+ 102  18.07 +/- 5.31  13.794% * 11.0262% (0.76   0.02   0.02) =  14.126%  kept
          QB    GLU- 114 - HN    LYS+ 102  18.06 +/- 1.52  12.360% * 12.0512% (0.84   0.02   0.02) =  13.833%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.57 +/- 6.58   9.937% * 14.4279% (1.00   0.02   0.02) =  13.315%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.32 +/- 3.45  10.492% * 12.9393% (0.90   0.02   0.02) =  12.608%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.25 +/- 5.34   6.988% * 13.6482% (0.95   0.02   0.02) =   8.858%  kept
          HG2   PRO   68 - HN    LYS+ 102  21.70 +/- 5.29   9.291% *  9.9106% (0.69   0.02   0.02) =   8.552%  kept
          HB3   PRO   68 - HN    LYS+ 102  22.41 +/- 5.43   7.555% *  8.7509% (0.61   0.02   0.02) =   6.140%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.99 +/- 5.48  15.994% *  3.5976% (0.25   0.02   0.02) =   5.344%  kept
    Distance limit 4.56 A violated in 20 structures by 7.39 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.976, support = 4.76, residual support = 158.9:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.55 +/- 0.24  85.347% * 92.7153% (0.98  10.0   4.77 159.85) =  99.279%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.29 +/- 0.76   8.382% *  6.8091% (0.45   1.0   3.21  23.01) =   0.716%  kept
          HB    VAL   41 - HN    LYS+ 102  10.26 +/- 4.00   4.429% *  0.0574% (0.61   1.0   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    LYS+ 102  16.98 +/- 6.13   0.685% *  0.0848% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LYS+ 102  20.49 +/- 4.44   0.264% *  0.0757% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.84 +/- 3.07   0.193% *  0.0873% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.78 +/- 1.49   0.134% *  0.0927% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.22 +/- 5.26   0.221% *  0.0355% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  23.80 +/- 6.17   0.195% *  0.0211% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.51 +/- 3.95   0.149% *  0.0211% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 4.04, residual support = 120.1:
          HG2   LYS+ 102 - HN    LYS+ 102   3.54 +/- 0.49  58.802% * 59.1143% (0.28   4.53 159.85) =  74.799%  kept
          QB    LEU   98 - HN    LYS+ 102   4.72 +/- 1.04  34.374% * 33.9375% (0.28   2.60   2.22) =  25.102%  kept
          HG12  ILE   19 - HN    LYS+ 102  18.27 +/- 5.35   1.076% *  0.9359% (1.00   0.02   0.02) =   0.022%
          HB3   LEU   67 - HN    LYS+ 102  18.83 +/- 5.06   0.881% *  0.7168% (0.76   0.02   0.02) =   0.014%
          QG    LYS+  66 - HN    LYS+ 102  21.31 +/- 4.98   0.956% *  0.5310% (0.57   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HN    LYS+ 102  18.72 +/- 6.78   0.943% *  0.5310% (0.57   0.02   0.02) =   0.011%
          QB    ALA   61 - HN    LYS+ 102  19.19 +/- 2.52   0.493% *  0.8412% (0.90   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    LYS+ 102  19.83 +/- 2.14   0.407% *  0.9359% (1.00   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    LYS+ 102  20.48 +/- 4.78   0.724% *  0.4935% (0.53   0.02   0.02) =   0.008%
          HG    LEU   80 - HN    LYS+ 102  22.46 +/- 4.80   0.346% *  0.9297% (0.99   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    LYS+ 102  17.28 +/- 4.30   0.667% *  0.3520% (0.38   0.02   0.02) =   0.005%
          HB2   LEU   80 - HN    LYS+ 102  22.16 +/- 4.22   0.331% *  0.6811% (0.73   0.02   0.02) =   0.005%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.494, support = 1.74, residual support = 1.4:
          QD1   LEU   98 - HN    LYS+ 102   4.43 +/- 1.85  40.999% * 52.4575% (0.18   2.72   2.22) =  58.150%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.52 +/- 1.30  38.373% * 39.8295% (0.95   0.38   0.27) =  41.324%  kept
          QG1   VAL   41 - HN    LYS+ 102   8.43 +/- 3.84  15.756% *  0.7524% (0.34   0.02   0.02) =   0.321%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.17 +/- 1.93   2.588% *  1.1605% (0.53   0.02   0.02) =   0.081%
          QD1   ILE   19 - HN    LYS+ 102  15.50 +/- 4.38   1.201% *  2.2009% (1.00   0.02   0.02) =   0.071%
          QG2   THR   46 - HN    LYS+ 102  18.31 +/- 2.04   0.520% *  1.9134% (0.87   0.02   0.02) =   0.027%
          QG2   VAL   18 - HN    LYS+ 102  17.55 +/- 4.50   0.563% *  1.6857% (0.76   0.02   0.02) =   0.026%
    Distance limit 4.33 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 = 6.24, residual support = 38.7:
      O   HA    ILE   89 - HN    GLN   90   2.24 +/- 0.05  98.541% * 99.5753% (0.61  10.0   6.24  38.75) =  99.999%  kept
          HB3   SER   82 - HN    GLN   90  12.42 +/- 1.87   1.067% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  20.61 +/- 1.56   0.134% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  30.86 +/- 5.85   0.140% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  29.84 +/- 4.09   0.053% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  27.80 +/- 3.62   0.065% *  0.0736% (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 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.894, support = 6.07, residual support = 94.5:
          QG    GLN   90 - HN    GLN   90   2.79 +/- 0.75  81.042% * 91.3106% (0.90   6.11  95.23) =  99.186%  kept
          HG3   MET   92 - HN    GLN   90   8.02 +/- 2.01   8.333% *  6.9908% (0.61   0.69   0.17) =   0.781%  kept
          HB2   ASP-  44 - HN    GLN   90  13.67 +/- 3.58   7.260% *  0.2420% (0.73   0.02   0.02) =   0.024%
          QG    GLU-  15 - HN    GLN   90  28.99 +/- 7.12   0.989% *  0.2021% (0.61   0.02   0.02) =   0.003%
          QG    GLU-  14 - HN    GLN   90  28.88 +/- 6.60   0.646% *  0.2547% (0.76   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    GLN   90  20.98 +/- 2.89   0.423% *  0.2784% (0.84   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    GLN   90  21.22 +/- 1.40   0.317% *  0.3303% (0.99   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLN   90  27.67 +/- 4.33   0.157% *  0.2420% (0.73   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLN   90  20.29 +/- 3.01   0.441% *  0.0831% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  34.37 +/- 6.45   0.393% *  0.0660% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 5.66, residual support = 95.0:
      O   HB3   GLN   90 - HN    GLN   90   3.24 +/- 0.41  76.728% * 97.7799% (0.92  10.0   5.67  95.23) =  99.737%  kept
          HB2   MET   92 - HN    GLN   90   7.07 +/- 1.61  13.769% *  1.3749% (0.38   1.0   0.69   0.17) =   0.252%  kept
          QB    LYS+  81 - HN    GLN   90  10.63 +/- 1.62   2.986% *  0.1022% (0.97   1.0   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    GLN   90  14.65 +/- 2.87   1.285% *  0.1038% (0.98   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    GLN   90  15.49 +/- 2.60   1.056% *  0.0919% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  15.76 +/- 2.29   1.038% *  0.0769% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    GLN   90  26.63 +/- 5.10   1.140% *  0.0685% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   90  21.02 +/- 3.39   0.459% *  0.0809% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  20.80 +/- 4.41   0.495% *  0.0728% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  26.25 +/- 3.39   0.198% *  0.0919% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  24.04 +/- 4.36   0.314% *  0.0557% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  29.47 +/- 4.44   0.157% *  0.0769% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  20.46 +/- 1.92   0.376% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.11, residual support = 38.7:
          QG2   ILE   89 - HN    GLN   90   3.08 +/- 0.57 100.000% *100.0000% (0.65   7.11  38.75) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.486, support = 5.68, residual support = 38.7:
          QD1   ILE   89 - HN    GLN   90   4.35 +/- 0.46  70.795% * 99.5303% (0.49   5.69  38.75) =  99.928%  kept
          QG2   VAL   83 - HN    GLN   90   7.41 +/- 1.30  19.775% *  0.1793% (0.25   0.02   0.02) =   0.050%
          QG2   VAL   75 - HN    GLN   90  12.07 +/- 2.71   7.017% *  0.1793% (0.25   0.02   0.02) =   0.018%
          QG2   VAL   42 - HN    GLN   90  15.85 +/- 2.88   2.413% *  0.1110% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.50 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 = 9.56:
      O   HA    ALA   88 - HN    ILE   89   2.79 +/- 0.29  82.026% * 99.4024% (0.99  10.0   4.11   9.56) =  99.990%  kept
          HA    SER   48 - HN    ILE   89  12.65 +/- 3.26   2.507% *  0.0968% (0.97   1.0   0.02   0.02) =   0.003%
          QB    SER   85 - HN    ILE   89   6.41 +/- 0.83   9.780% *  0.0223% (0.22   1.0   0.02   0.02) =   0.003%
          HB2   SER   82 - HN    ILE   89   9.99 +/- 1.42   2.831% *  0.0649% (0.65   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  14.20 +/- 3.03   1.535% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    ILE   89  27.55 +/- 5.30   0.163% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  25.40 +/- 7.31   0.195% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  27.23 +/- 5.64   0.192% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  22.17 +/- 3.83   0.239% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  29.55 +/- 4.85   0.111% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  23.20 +/- 1.66   0.170% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  24.70 +/- 3.51   0.156% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  31.58 +/- 7.55   0.097% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.99, residual support = 215.3:
      O   HA    ILE   89 - HN    ILE   89   2.87 +/- 0.05  98.857% * 99.5011% (0.34  10.0   5.99 215.30) =  99.999%  kept
          HB    THR  118 - HN    ILE   89  21.92 +/- 2.29   0.245% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  18.69 +/- 2.67   0.442% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  29.47 +/- 4.51   0.117% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  31.00 +/- 5.97   0.191% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  27.53 +/- 4.20   0.148% *  0.0649% (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 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.56, residual support = 215.3:
      O   HB    ILE   89 - HN    ILE   89   2.80 +/- 0.55  94.086% * 99.6919% (0.45  10.0   5.56 215.30) =  99.993%  kept
          QD    LYS+  81 - HN    ILE   89   9.24 +/- 1.60   4.258% *  0.0997% (0.45   1.0   0.02   0.02) =   0.005%
          HB    VAL   43 - HN    ILE   89  14.16 +/- 3.98   1.428% *  0.1170% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    ILE   89  24.23 +/- 5.64   0.227% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.06 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 215.0:
          HG12  ILE   89 - HN    ILE   89   2.62 +/- 0.77  90.305% * 96.6663% (0.76   5.73 215.30) =  99.872%  kept
          QB    ALA   91 - HN    ILE   89   6.89 +/- 0.84   7.485% *  1.3995% (0.31   0.21   7.59) =   0.120%  kept
          HG2   LYS+  74 - HN    ILE   89  17.32 +/- 2.30   0.613% *  0.3833% (0.87   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    ILE   89  18.51 +/- 3.30   0.604% *  0.3035% (0.69   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ILE   89  25.94 +/- 5.64   0.240% *  0.3691% (0.84   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    ILE   89  25.88 +/- 3.77   0.183% *  0.3963% (0.90   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   89  26.21 +/- 6.13   0.190% *  0.2858% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  23.34 +/- 3.92   0.234% *  0.1364% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  29.74 +/- 5.90   0.146% *  0.0598% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.57, residual support = 215.0:
          QG2   ILE   89 - HN    ILE   89   3.42 +/- 0.38  86.711% * 98.8613% (1.00   6.58 215.30) =  99.840%  kept
          QG1   VAL   83 - HN    ILE   89   6.74 +/- 0.80  12.578% *  1.0923% (0.53   0.14   0.02) =   0.160%  kept
          QD1   LEU  104 - HN    ILE   89  20.17 +/- 4.09   0.711% *  0.0464% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.51, residual support = 215.3:
          HG13  ILE   89 - HN    ILE   89   3.07 +/- 0.87 100.000% *100.0000% (0.90   5.51 215.30) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.1:
      O   HA    ALA   88 - HN    ALA   88   2.54 +/- 0.29  91.648% * 99.0917% (0.84  10.0   1.63  12.06) =  99.988%  kept
          HA    SER   48 - HN    ALA   88  14.25 +/- 4.15   4.565% *  0.1425% (0.98   1.0   0.02   0.02) =   0.007%
          HB2   SER   82 - HN    ALA   88  10.69 +/- 1.99   2.282% *  0.1303% (0.90   1.0   0.02   0.02) =   0.003%
          HD2   PRO   52 - HN    ALA   88  15.84 +/- 3.37   0.732% *  0.0882% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    ALA   88  28.73 +/- 6.18   0.149% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  28.48 +/- 6.47   0.145% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  27.29 +/- 7.77   0.133% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  30.84 +/- 5.62   0.091% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  26.51 +/- 4.27   0.136% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  24.91 +/- 2.45   0.118% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.08, residual support = 12.1:
      O   QB    ALA   88 - HN    ALA   88   2.45 +/- 0.30  83.210% * 99.1209% (0.73  10.0   2.08  12.06) =  99.991%  kept
          HB3   LEU   80 - HN    ALA   88  11.43 +/- 1.88   2.478% *  0.0938% (0.69   1.0   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    ALA   88   9.85 +/- 2.67   4.644% *  0.0466% (0.34   1.0   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    ALA   88   6.04 +/- 0.96   7.827% *  0.0211% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ALA   88  16.43 +/- 4.02   0.480% *  0.0612% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  20.00 +/- 3.79   0.207% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  25.40 +/- 6.47   0.179% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  26.71 +/- 7.12   0.126% *  0.1365% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  20.44 +/- 7.59   0.562% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  22.64 +/- 3.84   0.156% *  0.0773% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  30.45 +/- 6.52   0.067% *  0.1338% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  28.40 +/- 2.51   0.065% *  0.0421% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.14, residual support = 74.4:
      O   HB2   TRP   87 - HN    TRP   87   3.90 +/- 0.30  94.255% * 99.8429% (0.73  10.0   4.14  74.40) =  99.997%  kept
          HB    THR   46 - HN    TRP   87  13.91 +/- 3.27   4.428% *  0.0469% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   PHE   60 - HN    TRP   87  18.74 +/- 3.23   1.022% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  28.30 +/- 3.53   0.295% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.96, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   3.16 +/- 0.55  94.455% * 97.4923% (0.80   3.96  22.69) =  99.979%  kept
          HB2   ASP-  78 - HN    TRP   87  12.09 +/- 1.95   2.103% *  0.3238% (0.53   0.02   0.02) =   0.007%
          HB2   ASN   28 - HN    TRP   87  24.12 +/- 7.35   0.789% *  0.6155% (1.00   0.02   0.02) =   0.005%
          QE    LYS+  65 - HN    TRP   87  20.82 +/- 4.76   0.676% *  0.5940% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    TRP   87  25.57 +/- 5.32   0.271% *  0.6033% (0.98   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    TRP   87  13.19 +/- 1.79   1.477% *  0.0950% (0.15   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    TRP   87  28.54 +/- 6.15   0.228% *  0.2760% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.01 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   3.36 +/- 0.26  98.991% * 99.8532% (1.00  10.0   4.01  74.40) =  99.999%  kept
          HG2   GLU-  25 - HN    TRP   87  25.37 +/- 7.35   0.754% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  25.76 +/- 2.34   0.256% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.11 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.528, support = 2.21, residual support = 5.18:
          QB    ALA   88 - HN    TRP   87   4.74 +/- 0.45  72.021% * 96.6567% (0.53   2.22   5.21) =  99.484%  kept
          QG2   THR   77 - HN    TRP   87   8.94 +/- 2.46  22.240% *  1.4825% (0.90   0.02   0.02) =   0.471%  kept
          QG2   THR   23 - HN    TRP   87  20.50 +/- 6.24   2.232% *  0.8697% (0.53   0.02   0.02) =   0.028%
          QB    ALA   34 - HN    TRP   87  20.58 +/- 4.99   1.858% *  0.3680% (0.22   0.02   0.02) =   0.010%
          HG2   LYS+  99 - HN    TRP   87  25.46 +/- 6.80   1.050% *  0.2551% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    TRP   87  28.80 +/- 6.63   0.599% *  0.3680% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 0 structures by 0.25 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.825, support = 1.96, residual support = 18.4:
          QD1   ILE   89 - HN    TRP   87   4.12 +/- 0.86  50.231% * 67.9248% (0.76   2.43  19.66) =  69.478%  kept
          QG2   VAL   83 - HN    TRP   87   4.14 +/- 0.57  47.628% * 31.4409% (0.97   0.89  15.59) =  30.494%  kept
          QD2   LEU   31 - HN    TRP   87  18.04 +/- 5.59   2.141% *  0.6343% (0.87   0.02   0.02) =   0.028%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 1.32, residual support = 17.7:
          QD1   ILE   89 - HE1   TRP   87   4.97 +/- 1.48  31.101% * 71.3354% (0.73   1.58  19.66) =  52.905%  kept
          QG2   VAL   83 - HE1   TRP   87   3.04 +/- 1.32  68.899% * 28.6646% (0.45   1.03  15.59) =  47.095%  kept
    Distance limit 4.73 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 = 3.25, residual support = 13.1:
          QB    SER   85 - HN    ASP-  86   3.06 +/- 0.25  71.250% * 82.6606% (0.76   3.33  13.48) =  97.379%  kept
          HA    ALA   88 - HN    ASP-  86   6.05 +/- 0.86  10.789% * 12.7582% (0.69   0.57   0.02) =   2.276%  kept
          HB2   SER   82 - HN    ASP-  86   5.88 +/- 0.58  11.538% *  1.6822% (0.15   0.34   0.02) =   0.321%  kept
          HD2   PRO   52 - HN    ASP-  86  17.82 +/- 3.66   0.578% *  0.5831% (0.90   0.02   0.02) =   0.006%
          QB    SER   48 - HN    ASP-  86  13.86 +/- 3.80   1.967% *  0.1447% (0.22   0.02   0.02) =   0.005%
          HA    SER   48 - HN    ASP-  86  15.83 +/- 3.41   0.920% *  0.2915% (0.45   0.02   0.02) =   0.004%
          HB    THR   94 - HN    ASP-  86  12.81 +/- 3.59   2.257% *  0.1003% (0.15   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    ASP-  86  22.91 +/- 3.65   0.240% *  0.5431% (0.84   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    ASP-  86  26.53 +/- 6.78   0.244% *  0.4721% (0.73   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    ASP-  86  31.76 +/- 8.20   0.129% *  0.4969% (0.76   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    ASP-  86  29.99 +/- 3.07   0.088% *  0.2673% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 10.7:
          HA    VAL   83 - HN    ASP-  86   3.05 +/- 0.24  96.982% * 95.3192% (0.61   2.25  10.74) =  99.969%  kept
          HB2   CYS   53 - HN    ASP-  86  17.39 +/- 2.24   0.800% *  1.3481% (0.97   0.02   0.02) =   0.012%
          HD3   PRO   52 - HN    ASP-  86  18.75 +/- 4.10   1.098% *  0.7350% (0.53   0.02   0.02) =   0.009%
          HA    GLU- 100 - HN    ASP-  86  24.83 +/- 7.74   0.413% *  0.7909% (0.57   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    ASP-  86  25.48 +/- 6.92   0.378% *  0.8473% (0.61   0.02   0.02) =   0.003%
          HD2   PRO   58 - HN    ASP-  86  22.92 +/- 2.66   0.329% *  0.9596% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 42.4:
      O   HB2   ASP-  86 - HN    ASP-  86   2.63 +/- 0.48  96.742% * 99.6258% (0.98  10.0   5.01  42.44) =  99.998%  kept
          HB2   ASN   28 - HN    ASP-  86  23.47 +/- 8.02   0.786% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASP-  86  11.58 +/- 1.39   1.610% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  20.87 +/- 4.53   0.447% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  25.14 +/- 5.63   0.227% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  28.13 +/- 6.48   0.188% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 42.4:
      O   HB3   ASP-  86 - HN    ASP-  86   2.81 +/- 0.56  97.876% * 99.2823% (0.41  10.0   3.55  42.44) =  99.995%  kept
          HG3   MET   96 - HN    ASP-  86  16.20 +/- 5.89   1.403% *  0.2394% (0.99   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    ASP-  86  23.86 +/- 3.04   0.268% *  0.2017% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  86  30.80 +/- 5.54   0.123% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  27.21 +/- 7.94   0.330% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.0:
      O   QB    SER   85 - HN    SER   85   2.20 +/- 0.15  84.935% * 99.3113% (0.76  10.0   3.15  18.04) =  99.991%  kept
          HA    ALA   88 - HN    SER   85   6.18 +/- 1.27   5.720% *  0.0893% (0.69   1.0   0.02   0.02) =   0.006%
          HB2   SER   82 - HN    SER   85   5.63 +/- 0.22   5.412% *  0.0201% (0.15   1.0   0.02   2.90) =   0.001%
          QB    SER   48 - HN    SER   85  13.50 +/- 3.95   1.808% *  0.0289% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   85  15.41 +/- 3.53   0.654% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.76 +/- 3.74   0.283% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  13.20 +/- 3.38   0.926% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  22.66 +/- 3.23   0.093% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  26.70 +/- 6.11   0.080% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  31.69 +/- 7.98   0.054% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  30.38 +/- 2.58   0.035% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.62 +/- 0.02  93.943% * 99.3529% (0.49  10.0   3.27  20.71) =  99.993%  kept
          HA    VAL   75 - HN    SER   85  14.09 +/- 2.48   2.198% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    SER   85  17.81 +/- 3.88   1.495% *  0.1402% (0.69   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    SER   85  19.37 +/- 4.40   1.401% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  26.56 +/- 2.98   0.273% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  27.00 +/- 3.31   0.265% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  22.99 +/- 2.56   0.424% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 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   2.60 +/- 0.12  90.712% * 96.0240% (1.00   3.98  20.71) =  99.970%  kept
          HB3   LEU   80 - HN    SER   85   7.46 +/- 0.99   4.476% *  0.2542% (0.53   0.02   0.02) =   0.013%
          HB3   PRO   93 - HN    SER   85  15.71 +/- 2.61   0.711% *  0.4831% (1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    SER   85  16.01 +/- 3.38   0.690% *  0.3692% (0.76   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    SER   85  20.07 +/- 6.38   0.508% *  0.4663% (0.97   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    SER   85  19.47 +/- 5.73   0.785% *  0.2930% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   73 - HN    SER   85  19.19 +/- 3.47   0.387% *  0.1813% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    SER   85  23.34 +/- 6.62   0.344% *  0.1813% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  22.16 +/- 3.10   0.195% *  0.3125% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    SER   85  20.69 +/- 3.74   0.246% *  0.1491% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  24.96 +/- 6.90   0.182% *  0.1986% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  23.11 +/- 2.62   0.151% *  0.2352% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  28.79 +/- 2.49   0.075% *  0.4333% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  22.34 +/- 4.11   0.208% *  0.1491% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  22.77 +/- 3.96   0.180% *  0.1491% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  27.23 +/- 5.99   0.151% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.84, residual support = 17.7:
      O   HA    ALA   84 - HN    ALA   84   2.77 +/- 0.04  95.730% * 99.3529% (0.49  10.0   3.84  17.71) =  99.996%  kept
          HA    VAL   75 - HN    ALA   84  11.96 +/- 2.33   1.879% *  0.1074% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    ALA   84  17.16 +/- 3.52   0.634% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA   84  18.60 +/- 4.49   1.256% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    ALA   84  24.98 +/- 2.59   0.147% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  25.58 +/- 2.96   0.140% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.60 +/- 1.79   0.214% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 40.7:
          HB    VAL   83 - HN    ALA   84   3.22 +/- 0.32  89.020% * 97.8501% (0.99   5.33  40.70) =  99.982%  kept
          QD    LYS+  65 - HN    ALA   84  18.81 +/- 3.88   1.058% *  0.3573% (0.97   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    ALA   84  14.69 +/- 2.14   1.682% *  0.1948% (0.53   0.02   0.02) =   0.004%
          HB3   MET   92 - HN    ALA   84  12.94 +/- 3.44   4.426% *  0.0648% (0.18   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HN    ALA   84  15.71 +/- 1.72   0.941% *  0.1522% (0.41   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    ALA   84  22.08 +/- 5.72   0.453% *  0.2689% (0.73   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    ALA   84  24.38 +/- 5.46   0.330% *  0.3670% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   84  27.32 +/- 3.31   0.184% *  0.3503% (0.95   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    ALA   84  16.67 +/- 2.12   0.923% *  0.0648% (0.18   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  22.51 +/- 4.37   0.410% *  0.0923% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.53 +/- 4.66   0.446% *  0.0571% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  29.63 +/- 2.32   0.126% *  0.1802% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 4.15, residual support = 17.7:
      O   QB    ALA   84 - HN    ALA   84   1.99 +/- 0.05  89.677% * 99.0428% (0.87  10.0   4.15  17.71) =  99.995%  kept
          HB3   LEU   80 - HN    ALA   84   5.14 +/- 1.06   7.876% *  0.0317% (0.28   1.0   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    ALA   84  14.37 +/- 2.21   0.325% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  18.67 +/- 4.95   0.312% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  14.30 +/- 3.16   0.510% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  18.95 +/- 5.49   0.210% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  17.17 +/- 3.25   0.220% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  19.00 +/- 3.40   0.146% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  20.83 +/- 3.75   0.111% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  22.03 +/- 2.57   0.079% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  24.32 +/- 5.77   0.076% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  20.32 +/- 2.71   0.108% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  25.46 +/- 5.44   0.074% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  21.85 +/- 5.84   0.164% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.55 +/- 2.24   0.036% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  28.40 +/- 5.94   0.077% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.693, support = 5.7, residual support = 39.6:
          QG1   VAL   83 - HN    ALA   84   3.70 +/- 0.76  63.705% * 93.3335% (0.69   5.85  40.70) =  97.372%  kept
          QD2   LEU   80 - HN    ALA   84   5.71 +/- 1.10  30.439% *  5.2106% (0.95   0.24   0.02) =   2.597%  kept
          QD1   LEU   73 - HN    ALA   84  14.42 +/- 3.12   2.402% *  0.2818% (0.61   0.02   0.02) =   0.011%
          QD1   LEU   63 - HN    ALA   84  17.25 +/- 3.48   2.014% *  0.2818% (0.61   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    ALA   84  20.14 +/- 3.69   0.720% *  0.4635% (1.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    ALA   84  18.31 +/- 1.43   0.720% *  0.4288% (0.92   0.02   0.02) =   0.005%
    Distance limit 4.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.752, support = 6.06, residual support = 39.5:
          QG2   VAL   83 - HN    ALA   84   3.59 +/- 0.57  69.106% * 88.1336% (0.76   6.28  40.70) =  95.685%  kept
          QD1   ILE   89 - HN    ALA   84   6.09 +/- 1.23  23.951% * 11.4180% (0.49   1.28  12.76) =   4.296%  kept
          QD2   LEU   31 - HN    ALA   84  16.39 +/- 4.84   2.230% *  0.3666% (1.00   0.02   0.02) =   0.013%
          QG2   VAL   43 - HN    ALA   84  10.99 +/- 2.76   4.713% *  0.0818% (0.22   0.02   0.02) =   0.006%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.754, support = 4.09, residual support = 19.0:
          HB2   SER   82 - HN    VAL   83   3.37 +/- 0.52  79.346% * 97.0044% (0.75   4.09  19.02) =  99.922%  kept
          HA    ALA   88 - HN    VAL   83   8.96 +/- 1.63  14.822% *  0.2685% (0.43   0.02   0.02) =   0.052%
          HA    SER   48 - HN    VAL   83  15.70 +/- 3.70   1.921% *  0.3798% (0.60   0.02   0.02) =   0.009%
          HA    VAL   18 - HN    VAL   83  22.92 +/- 8.18   0.778% *  0.4701% (0.75   0.02   0.02) =   0.005%
          HA    GLU-  29 - HN    VAL   83  23.46 +/- 6.99   0.690% *  0.4649% (0.74   0.02   0.02) =   0.004%
          HD2   PRO   52 - HN    VAL   83  18.29 +/- 3.76   1.090% *  0.1618% (0.26   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    VAL   83  25.91 +/- 5.46   0.321% *  0.4254% (0.68   0.02   0.02) =   0.002%
          HA    GLN   32 - HN    VAL   83  24.22 +/- 5.74   0.448% *  0.2496% (0.40   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   83  22.62 +/- 3.16   0.339% *  0.2877% (0.46   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    VAL   83  24.81 +/- 1.97   0.245% *  0.2877% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.37 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 = 4.69, residual support = 85.2:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.01  97.896% * 99.4506% (0.46  10.0   4.69  85.24) =  99.998%  kept
          HB2   CYS   53 - HN    VAL   83  17.16 +/- 2.32   0.538% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  22.67 +/- 6.50   0.493% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    VAL   83  19.37 +/- 4.11   0.545% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  23.60 +/- 6.15   0.312% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  22.18 +/- 2.09   0.215% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.76, residual support = 85.2:
      O   HB    VAL   83 - HN    VAL   83   2.33 +/- 0.32  94.507% * 99.4176% (0.75  10.0   4.76  85.24) =  99.997%  kept
          QD    LYS+  65 - HN    VAL   83  18.57 +/- 3.96   0.876% *  0.0968% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    VAL   83  15.39 +/- 2.66   0.823% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  13.93 +/- 3.69   1.867% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  15.30 +/- 2.32   0.559% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  21.62 +/- 5.81   0.210% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  23.53 +/- 5.78   0.143% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  27.21 +/- 3.94   0.112% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  23.16 +/- 4.64   0.242% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.17 +/- 2.31   0.315% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  23.15 +/- 4.89   0.281% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.57 +/- 2.77   0.064% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.323, support = 0.02, residual support = 0.0968:
          HB2   LEU   80 - HN    VAL   83   4.05 +/- 0.95  82.450% *  2.8578% (0.19   0.02   0.14) =  64.632%  kept
          HB3   LEU   73 - HN    VAL   83  16.42 +/- 3.95   2.086% *  9.9416% (0.65   0.02   0.02) =   5.687%  kept
          QB    LEU   98 - HN    VAL   83  16.41 +/- 4.75   2.388% *  7.8727% (0.52   0.02   0.02) =   5.158%  kept
          HB    VAL   42 - HN    VAL   83  18.57 +/- 3.50   1.360% * 10.5799% (0.70   0.02   0.02) =   3.947%  kept
          HG3   LYS+  65 - HN    VAL   83  20.55 +/- 3.82   1.338% * 10.5799% (0.70   0.02   0.02) =   3.884%  kept
          HB3   LYS+  74 - HN    VAL   83  15.26 +/- 3.02   2.706% *  4.7118% (0.31   0.02   0.02) =   3.497%  kept
          HG3   LYS+ 106 - HN    VAL   83  18.79 +/- 4.72   1.662% *  7.4142% (0.49   0.02   0.02) =   3.381%  kept
          QB    ALA   12 - HN    VAL   83  27.62 +/- 6.18   0.885% * 10.5799% (0.70   0.02   0.02) =   2.569%  kept
          HG3   LYS+  33 - HN    VAL   83  24.38 +/- 6.09   0.612% * 11.0607% (0.73   0.02   0.02) =   1.858%  kept
          HG3   LYS+ 102 - HN    VAL   83  23.79 +/- 5.86   0.660% *  9.5730% (0.63   0.02   0.02) =   1.734%  kept
          HB2   LYS+ 112 - HN    VAL   83  22.63 +/- 2.82   0.716% *  8.7588% (0.58   0.02   0.02) =   1.720%  kept
          HB3   PRO   93 - HN    VAL   83  14.92 +/- 2.50   2.542% *  1.7684% (0.12   0.02   0.02) =   1.233%  kept
          HD3   LYS+ 121 - HN    VAL   83  28.12 +/- 4.37   0.593% *  4.3014% (0.28   0.02   0.02) =   0.700%  kept
    Distance limit 3.89 A violated in 2 structures by 0.49 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 = 5.12, residual support = 80.3:
          QG1   VAL   83 - HN    VAL   83   2.40 +/- 0.50  65.727% * 86.5811% (0.75   5.33  85.24) =  94.221%  kept
          QD2   LEU   80 - HN    VAL   83   4.32 +/- 1.20  29.579% * 11.5794% (0.31   1.72   0.14) =   5.671%  kept
          QG2   ILE   89 - HN    VAL   83   6.74 +/- 0.90   4.278% *  1.5045% (0.46   0.15   0.02) =   0.107%  kept
          QD1   LEU  104 - HN    VAL   83  19.77 +/- 3.64   0.179% *  0.2120% (0.49   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   83  18.56 +/- 1.76   0.237% *  0.1230% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.18, residual support = 84.4:
          QG2   VAL   83 - HN    VAL   83   3.50 +/- 0.32  82.007% * 93.8619% (0.74   5.23  85.24) =  98.991%  kept
          QD1   ILE   89 - HN    VAL   83   7.07 +/- 1.25  13.072% *  5.9158% (0.73   0.33   0.02) =   0.995%  kept
          QD2   LEU   31 - HN    VAL   83  15.60 +/- 5.44   4.921% *  0.2223% (0.46   0.02   0.02) =   0.014%
    Distance limit 4.12 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   2.73 +/- 0.57  92.103% * 99.3063% (0.87  10.0   4.30  34.69) =  99.996%  kept
          HA    ALA   88 - HN    SER   82  10.21 +/- 1.74   3.590% *  0.0318% (0.28   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   82  16.40 +/- 4.40   1.395% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    SER   82  23.82 +/- 6.92   0.492% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    SER   82  23.49 +/- 8.30   0.367% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  26.42 +/- 5.02   0.229% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  23.36 +/- 2.70   0.221% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  26.17 +/- 1.96   0.145% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  19.33 +/- 4.53   0.902% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  24.75 +/- 5.46   0.345% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  26.21 +/- 4.76   0.211% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.68, residual support = 34.7:
      O   HB3   SER   82 - HN    SER   82   2.79 +/- 0.50  96.318% * 99.2682% (0.69  10.0   3.68  34.69) =  99.996%  kept
          HA    ILE   89 - HN    SER   82  11.09 +/- 0.91   1.995% *  0.1445% (1.00   1.0   0.02   0.02) =   0.003%
          QB    SER   13 - HN    SER   82  28.25 +/- 6.17   0.229% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  25.39 +/- 3.81   0.179% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.58 +/- 3.16   0.203% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  26.70 +/- 4.76   0.150% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  20.39 +/- 4.87   0.561% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  23.16 +/- 6.17   0.364% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.13, residual support = 19.9:
          QB    LYS+  81 - HN    SER   82   3.34 +/- 0.32  85.455% * 96.7548% (0.97   5.14  19.91) =  99.951%  kept
          QB    LYS+ 106 - HN    SER   82  17.78 +/- 4.27   3.227% *  0.3827% (0.98   0.02   0.02) =   0.015%
          HB3   GLN   90 - HN    SER   82  12.81 +/- 2.39   2.370% *  0.3604% (0.92   0.02   0.02) =   0.010%
          HB3   ASP- 105 - HN    SER   82  23.18 +/- 4.88   1.706% *  0.2984% (0.76   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    SER   82  14.96 +/- 3.94   3.284% *  0.1465% (0.38   0.02   0.02) =   0.006%
          HB3   GLN   30 - HN    SER   82  20.66 +/- 6.30   1.039% *  0.2054% (0.53   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    SER   82  21.53 +/- 3.34   0.485% *  0.3386% (0.87   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    SER   82  21.40 +/- 5.19   0.554% *  0.2682% (0.69   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    SER   82  22.99 +/- 4.77   0.427% *  0.3386% (0.87   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    SER   82  21.88 +/- 3.11   0.447% *  0.2835% (0.73   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    SER   82  26.25 +/- 4.31   0.499% *  0.2526% (0.65   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    SER   82  26.90 +/- 5.31   0.225% *  0.2835% (0.73   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  24.83 +/- 2.63   0.283% *  0.0869% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 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   3.70 +/- 1.05  97.480% * 98.7731% (0.25   5.14  19.91) =  99.986%  kept
          HG2   LYS+ 106 - HN    SER   82  20.36 +/- 5.32   1.918% *  0.4761% (0.31   0.02   0.02) =   0.009%
          HG3   ARG+  54 - HN    SER   82  22.29 +/- 3.02   0.602% *  0.7508% (0.49   0.02   0.02) =   0.005%
    Distance limit 5.07 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 = 0.891, support = 3.86, residual support = 15.1:
          QG1   VAL   83 - HN    SER   82   4.48 +/- 0.56  43.303% * 78.6022% (0.95   4.46  19.02) =  78.856%  kept
          QD2   LEU   80 - HN    SER   82   4.32 +/- 0.95  44.509% * 20.4662% (0.69   1.60   0.44) =  21.104%  kept
          QG2   ILE   89 - HN    SER   82   8.30 +/- 1.08   8.078% *  0.1270% (0.34   0.02   0.02) =   0.024%
          QD1   LEU  104 - HN    SER   82  20.79 +/- 3.51   0.723% *  0.3339% (0.90   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    SER   82  14.28 +/- 3.58   1.591% *  0.1149% (0.31   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    SER   82  18.06 +/- 3.41   1.261% *  0.1149% (0.31   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    SER   82  19.73 +/- 1.67   0.535% *  0.2409% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.79, residual support = 111.2:
      O   QB    LYS+  81 - HN    LYS+  81   2.27 +/- 0.22  92.655% * 99.1460% (0.97  10.0   5.79 111.24) =  99.994%  kept
          QB    LYS+ 106 - HN    LYS+  81  18.09 +/- 4.03   1.762% *  0.1007% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LYS+  81  23.36 +/- 4.73   1.591% *  0.0785% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LYS+  81  12.81 +/- 2.87   0.789% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LYS+  81  14.93 +/- 3.70   1.674% *  0.0386% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LYS+  81  25.30 +/- 4.67   0.329% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.22 +/- 3.56   0.217% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.86 +/- 4.51   0.246% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  20.17 +/- 5.49   0.247% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  21.20 +/- 3.35   0.170% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  22.59 +/- 3.95   0.125% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  26.62 +/- 4.83   0.086% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  24.11 +/- 3.05   0.110% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 111.2:
          QG    LYS+  81 - HN    LYS+  81   2.59 +/- 0.52  97.945% * 98.9601% (0.97   5.85 111.24) =  99.996%  kept
          HG2   LYS+ 106 - HN    LYS+  81  20.70 +/- 5.18   0.361% *  0.3239% (0.92   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    LYS+  81  14.40 +/- 1.86   0.950% *  0.1197% (0.34   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    LYS+  81  23.98 +/- 4.66   0.262% *  0.3319% (0.95   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  23.55 +/- 4.29   0.213% *  0.1083% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.75 +/- 4.06   0.159% *  0.0781% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  28.56 +/- 3.77   0.110% *  0.0781% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.434, support = 5.8, residual support = 41.4:
          QD2   LEU   80 - HN    LYS+  81   4.14 +/- 0.60  40.591% * 77.9425% (0.53   5.98  41.46) =  75.274%  kept
          QD1   LEU   80 - HN    LYS+  81   3.78 +/- 0.92  51.566% * 20.1076% (0.15   5.26  41.46) =  24.670%  kept
          QD1   LEU   73 - HN    LYS+  81  13.77 +/- 3.09   1.760% *  0.4443% (0.90   0.02   0.02) =   0.019%
          QD1   LEU   63 - HN    LYS+  81  17.53 +/- 3.50   1.350% *  0.4443% (0.90   0.02   0.02) =   0.014%
          QD2   LEU   63 - HN    LYS+  81  17.80 +/- 3.25   1.207% *  0.4138% (0.84   0.02   0.02) =   0.012%
          QD1   LEU  104 - HN    LYS+  81  20.96 +/- 3.48   1.027% *  0.1529% (0.31   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LYS+  81  15.93 +/- 3.02   1.035% *  0.1377% (0.28   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LYS+  81  19.51 +/- 1.79   0.412% *  0.2805% (0.57   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    LYS+  81  15.44 +/- 3.24   1.054% *  0.0764% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.579, support = 4.05, residual support = 17.6:
          HB2   ASP-  78 - HN    GLU-  79   3.01 +/- 0.53  48.779% * 78.8465% (0.60   4.73  21.59) =  79.348%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.13 +/- 0.95  48.946% * 20.4467% (0.51   1.44   2.09) =  20.647%  kept
          QE    LYS+  65 - HN    GLU-  79  14.36 +/- 4.00   0.816% *  0.0946% (0.17   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    GLU-  79  21.99 +/- 3.36   0.226% *  0.2471% (0.44   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    GLU-  79  11.68 +/- 1.39   0.820% *  0.0461% (0.08   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    GLU-  79  19.13 +/- 4.30   0.237% *  0.1399% (0.25   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    GLU-  79  20.12 +/- 3.43   0.176% *  0.1791% (0.32   0.02   0.02) =   0.001%
    Distance limit 3.56 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 = 4.36, residual support = 56.9:
      O   HB2   GLU-  79 - HN    GLU-  79   2.82 +/- 0.43  95.747% * 98.3341% (0.09  10.0   4.36  56.93) =  99.988%  kept
          HB3   PHE   97 - HN    GLU-  79  19.49 +/- 2.80   1.648% *  0.2174% (0.21   1.0   0.02   0.02) =   0.004%
          HG2   PRO   52 - HN    GLU-  79  17.29 +/- 4.96   1.097% *  0.2857% (0.27   1.0   0.02   0.02) =   0.003%
          HB2   PRO   58 - HN    GLU-  79  19.94 +/- 2.62   0.434% *  0.5103% (0.49   1.0   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    GLU-  79  20.06 +/- 5.65   0.450% *  0.4123% (0.39   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    GLU-  79  23.10 +/- 2.92   0.372% *  0.1419% (0.14   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    GLU-  79  24.87 +/- 2.71   0.252% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.17, residual support = 56.9:
      O   HB3   GLU-  79 - HN    GLU-  79   2.79 +/- 0.57  93.460% * 99.6469% (0.59  10.0   4.17  56.93) =  99.995%  kept
          HB2   GLN   90 - HN    GLU-  79  12.13 +/- 3.32   5.322% *  0.0789% (0.47   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    GLU-  79  21.96 +/- 4.35   0.365% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.20 +/- 1.96   0.245% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  21.94 +/- 4.54   0.366% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  24.66 +/- 3.59   0.242% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.04 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 3.95, residual support = 39.8:
      O   HB3   ASP-  78 - HN    ASP-  78   2.67 +/- 0.65  90.364% * 98.7386% (0.49  10.0   3.95  39.87) =  99.942%  kept
          QE    LYS+  74 - HN    ASP-  78   8.08 +/- 1.75   4.969% *  0.8892% (0.98   1.0   0.09   0.02) =   0.049%
          QB    CYS   50 - HN    ASP-  78  10.84 +/- 3.55   3.603% *  0.1958% (0.97   1.0   0.02   0.02) =   0.008%
          HB2   PHE   72 - HN    ASP-  78  14.69 +/- 1.01   0.824% *  0.0452% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  21.85 +/- 2.85   0.239% *  0.1312% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.967, support = 5.34, residual support = 36.6:
      O   HB2   ASP-  78 - HN    ASP-  78   2.81 +/- 0.40  65.011% * 82.0786% (0.98  10.0   5.36  39.87) =  90.802%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.99 +/- 0.81  30.451% * 17.7475% (0.84   1.0   5.07   4.06) =   9.196%  kept
          QE    LYS+  65 - HN    ASP-  78  13.58 +/- 4.30   2.608% *  0.0233% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ASP-  78  21.77 +/- 3.08   0.243% *  0.0608% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASP-  78  11.86 +/- 1.82   1.215% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.64 +/- 3.16   0.219% *  0.0441% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  19.94 +/- 3.54   0.252% *  0.0344% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.64, residual support = 27.5:
      O   HA    THR   77 - HN    ASP-  78   3.51 +/- 0.10  93.667% * 99.9219% (0.92  10.0   4.64  27.53) =  99.998%  kept
          HD2   PRO   93 - HN    ASP-  78  12.03 +/- 2.44   3.867% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  15.69 +/- 4.36   1.810% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HA    LEU   31 - HN    ASP-  78  19.20 +/- 2.30   0.656% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.6, residual support = 4.06:
          HA    ASP-  76 - HN    ASP-  78   3.60 +/- 0.25  96.886% * 99.6668% (0.95   2.60   4.06) =  99.989%  kept
          HA    LEU   67 - HN    ASP-  78  17.73 +/- 3.53   3.114% *  0.3332% (0.41   0.02   0.02) =   0.011%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.02, residual support = 37.5:
      O   HA    THR   77 - HN    THR   77   2.84 +/- 0.04  95.628% * 99.8846% (0.98  10.0   4.02  37.46) =  99.997%  kept
          HD2   PRO   93 - HN    THR   77  10.82 +/- 2.16   3.174% *  0.0577% (0.57   1.0   0.02   0.02) =   0.002%
          HB2   TRP   27 - HN    THR   77  14.54 +/- 3.78   1.197% *  0.0577% (0.57   1.0   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 3.49, residual support = 15.2:
          HB2   ASP-  76 - HN    THR   77   4.19 +/- 0.30  58.955% * 60.1871% (1.00   3.64  10.64) =  73.033%  kept
          HB2   ASP-  78 - HN    THR   77   5.18 +/- 0.49  33.331% * 39.2863% (0.76   3.10  27.53) =  26.951%  kept
          QE    LYS+  66 - HN    THR   77  15.67 +/- 4.12   5.224% *  0.0657% (0.20   0.02   0.02) =   0.007%
          HB2   ASN   69 - HN    THR   77  19.90 +/- 2.87   0.936% *  0.3202% (0.97   0.02   0.02) =   0.006%
          QE    LYS+  33 - HN    THR   77  19.31 +/- 2.95   0.733% *  0.0827% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    THR   77  18.86 +/- 3.16   0.820% *  0.0581% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 10.6:
          HB3   ASP-  76 - HN    THR   77   4.26 +/- 0.29  59.871% * 95.2529% (0.57   3.64  10.64) =  99.704%  kept
          HG3   MET   92 - HN    THR   77  11.45 +/- 2.92   8.654% *  0.9254% (1.00   0.02   0.02) =   0.140%  kept
          QG    GLN   90 - HN    THR   77  10.28 +/- 2.80   9.561% *  0.3157% (0.34   0.02   0.02) =   0.053%
          HB2   ASP-  44 - HN    THR   77   8.03 +/- 1.14  11.428% *  0.1831% (0.20   0.02   0.02) =   0.037%
          HB2   ASP- 105 - HN    THR   77  18.87 +/- 2.94   1.287% *  0.7410% (0.80   0.02   0.02) =   0.017%
          QG    GLU-  14 - HN    THR   77  21.42 +/- 5.81   3.936% *  0.2060% (0.22   0.02   0.02) =   0.014%
          HG12  ILE  119 - HN    THR   77  17.68 +/- 2.35   1.007% *  0.6357% (0.69   0.02   0.02) =   0.011%
          HB2   GLU-  29 - HN    THR   77  20.56 +/- 3.19   0.654% *  0.9071% (0.98   0.02   0.02) =   0.010%
          HB3   PHE   72 - HN    THR   77  13.63 +/- 0.59   1.911% *  0.2573% (0.28   0.02   0.02) =   0.009%
          HG2   GLU- 100 - HN    THR   77  24.10 +/- 2.70   0.389% *  0.4505% (0.49   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR   77  22.24 +/- 5.77   1.302% *  0.1252% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.56 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 = 4.02, residual support = 37.4:
          QG2   THR   77 - HN    THR   77   2.24 +/- 0.38  86.137% * 96.0919% (0.61   4.02  37.46) =  99.949%  kept
          HB3   LEU   80 - HN    THR   77   7.79 +/- 1.70   4.230% *  0.3237% (0.41   0.02   0.61) =   0.017%
          HB3   ASP-  44 - HN    THR   77   7.98 +/- 1.58   6.002% *  0.1753% (0.22   0.02   0.02) =   0.013%
          QB    ALA   88 - HN    THR   77  11.78 +/- 2.51   1.395% *  0.7448% (0.95   0.02   0.02) =   0.013%
          HB2   LEU   63 - HN    THR   77  13.22 +/- 2.86   1.432% *  0.2430% (0.31   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HN    THR   77  19.03 +/- 4.78   0.332% *  0.5094% (0.65   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    THR   77  18.39 +/- 2.65   0.222% *  0.4458% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    THR   77  23.16 +/- 3.18   0.122% *  0.7599% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    THR   77  22.65 +/- 2.71   0.129% *  0.7062% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.872, support = 2.3, residual support = 2.36:
          QB    ALA   47 - HN    THR   77   8.09 +/- 3.70  43.134% * 65.2074% (0.90   2.56   2.97) =  75.469%  kept
          QG1   VAL   42 - HN    THR   77   9.85 +/- 1.89  26.442% * 34.3251% (0.80   1.51   0.51) =  24.353%  kept
          QB    ALA   64 - HN    THR   77   9.21 +/- 1.42  26.962% *  0.2130% (0.38   0.02   0.02) =   0.154%  kept
          HG2   LYS+ 112 - HN    THR   77  18.08 +/- 3.24   3.462% *  0.2545% (0.45   0.02   0.02) =   0.024%
    Distance limit 4.41 A violated in 13 structures by 2.02 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 82.9:
      O   HA    VAL   75 - HN    VAL   75   2.88 +/- 0.04  86.581% * 99.8428% (0.97  10.0   5.23  82.87) =  99.994%  kept
          HA    ALA   61 - HN    VAL   75   7.58 +/- 1.92  10.682% *  0.0353% (0.34   1.0   0.02   0.02) =   0.004%
          HD3   PRO   58 - HN    VAL   75  13.92 +/- 1.76   0.895% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  12.91 +/- 2.13   1.842% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.846, support = 0.675, residual support = 0.807:
          HB2   ASP-  44 - HN    VAL   75   4.89 +/- 1.56  56.340% * 46.9526% (0.87   0.67   0.61) =  80.739%  kept
          HB3   PHE   72 - HN    VAL   75   7.85 +/- 0.56  12.921% * 46.4585% (0.76   0.75   1.69) =  18.322%  kept
          QG    GLU-  14 - HN    VAL   75  17.04 +/- 5.37  13.274% *  1.3568% (0.84   0.02   0.02) =   0.550%  kept
          QG    GLU-  15 - HN    VAL   75  17.57 +/- 5.23   2.437% *  1.5366% (0.95   0.02   0.02) =   0.114%  kept
          QG    GLN   90 - HN    VAL   75  14.62 +/- 2.28   2.453% *  1.1158% (0.69   0.02   0.02) =   0.084%
          QB    MET   11 - HN    VAL   75  23.02 +/- 4.38   1.751% *  1.4568% (0.90   0.02   0.02) =   0.078%
          HG2   MET   92 - HN    VAL   75  13.55 +/- 2.69   7.654% *  0.2845% (0.18   0.02   0.02) =   0.066%
          HG12  ILE  119 - HN    VAL   75  14.66 +/- 2.62   2.390% *  0.5541% (0.34   0.02   0.02) =   0.040%
          HG3   GLU-  36 - HN    VAL   75  19.94 +/- 1.43   0.779% *  0.2845% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.62 A violated in 0 structures by 0.19 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.403, support = 3.43, residual support = 21.0:
          HB3   LYS+  74 - HN    VAL   75   4.47 +/- 0.18  39.478% * 39.4346% (0.20   4.50  31.85) =  63.590%  kept
          HG    LEU   73 - HN    VAL   75   6.72 +/- 1.19  15.965% * 54.0736% (0.76   1.60   2.05) =  35.263%  kept
          QB    ALA   61 - HN    VAL   75   7.71 +/- 1.70  12.020% *  0.8678% (0.98   0.02   0.02) =   0.426%  kept
          HB3   LEU   67 - HN    VAL   75   9.88 +/- 1.79   4.320% *  0.8834% (1.00   0.02   0.02) =   0.156%  kept
          QG    LYS+  66 - HN    VAL   75  11.60 +/- 1.93   4.087% *  0.8173% (0.92   0.02   0.02) =   0.136%  kept
          HG    LEU   80 - HN    VAL   75  11.46 +/- 2.84   4.111% *  0.7680% (0.87   0.02   0.31) =   0.129%  kept
          HG12  ILE   19 - HN    VAL   75  12.11 +/- 5.36   3.493% *  0.6766% (0.76   0.02   0.02) =   0.097%
          QB    ALA  110 - HN    VAL   75  14.76 +/- 3.27   1.796% *  0.7395% (0.84   0.02   0.02) =   0.054%
          HB2   LEU   80 - HN    VAL   75  10.99 +/- 2.41   4.191% *  0.3020% (0.34   0.02   0.31) =   0.052%
          HG    LEU   67 - HN    VAL   75  10.22 +/- 1.87   4.613% *  0.1752% (0.20   0.02   0.02) =   0.033%
          HG    LEU   40 - HN    VAL   75  11.97 +/- 1.79   3.099% *  0.2462% (0.28   0.02   0.02) =   0.031%
          HB3   LEU  115 - HN    VAL   75  14.20 +/- 2.63   1.572% *  0.2462% (0.28   0.02   0.02) =   0.016%
          HG2   LYS+ 102 - HN    VAL   75  21.00 +/- 3.46   0.463% *  0.5727% (0.65   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - HN    VAL   75  19.19 +/- 3.45   0.791% *  0.1971% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.93, residual support = 31.8:
          HG2   LYS+  74 - HN    VAL   75   3.65 +/- 0.58  71.004% * 95.4217% (0.45   5.94  31.85) =  99.783%  kept
          QB    ALA   91 - HN    VAL   75  11.09 +/- 2.15   4.622% *  0.6914% (0.97   0.02   0.02) =   0.047%
          QG2   ILE   56 - HN    VAL   75  10.91 +/- 1.61   4.141% *  0.6214% (0.87   0.02   0.02) =   0.038%
          HG13  ILE   19 - HN    VAL   75  12.52 +/- 5.34   5.017% *  0.4921% (0.69   0.02   0.02) =   0.036%
          QB    ALA   34 - HN    VAL   75  10.90 +/- 1.40   3.996% *  0.4921% (0.69   0.02   0.02) =   0.029%
          QG2   THR   39 - HN    VAL   75  13.03 +/- 1.90   2.554% *  0.6914% (0.97   0.02   0.02) =   0.026%
          HG    LEU   71 - HN    VAL   75  12.32 +/- 1.56   3.537% *  0.2945% (0.41   0.02   0.02) =   0.015%
          QG2   THR   23 - HN    VAL   75  12.87 +/- 3.18   3.499% *  0.2444% (0.34   0.02   0.02) =   0.013%
          HG3   LYS+  38 - HN    VAL   75  18.70 +/- 2.81   0.774% *  0.7022% (0.98   0.02   0.02) =   0.008%
          HG3   LYS+  99 - HN    VAL   75  18.88 +/- 3.64   0.855% *  0.3487% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.936, support = 4.49, residual support = 81.8:
      O   HB    VAL   75 - HN    VAL   75   2.41 +/- 0.46  79.239% * 85.5379% (0.95  10.0   4.44  82.87) =  97.826%  kept
          HG3   LYS+  74 - HN    VAL   75   4.97 +/- 0.33  10.527% * 14.2499% (0.49   1.0   6.48  31.85) =   2.165%  kept
          QD2   LEU   40 - HN    VAL   75  10.66 +/- 1.65   5.103% *  0.0691% (0.76   1.0   0.02   0.02) =   0.005%
          QD1   LEU   67 - HN    VAL   75   7.68 +/- 1.63   3.476% *  0.0657% (0.73   1.0   0.02   0.02) =   0.003%
          QG2   ILE  103 - HN    VAL   75  13.70 +/- 2.42   0.922% *  0.0548% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.39 +/- 2.03   0.733% *  0.0225% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.497, support = 1.72, residual support = 1.79:
          QD2   LEU   73 - HN    VAL   75   4.80 +/- 1.45  31.446% * 62.6998% (0.41   2.14   2.05) =  77.532%  kept
          QG2   THR   46 - HN    VAL   75   7.12 +/- 3.17  18.496% * 17.1905% (0.69   0.35   1.57) =  12.503%  kept
          QG1   VAL   43 - HN    VAL   75   6.62 +/- 1.75  14.022% * 15.6567% (0.97   0.23   0.02) =   8.633%  kept
          QG2   VAL   18 - HN    VAL   75   9.02 +/- 6.45  17.823% *  1.1405% (0.80   0.02   0.02) =   0.799%  kept
          QG1   VAL   41 - HN    VAL   75  10.11 +/- 2.05   5.619% *  1.4212% (1.00   0.02   0.02) =   0.314%  kept
          QD1   ILE   19 - HN    VAL   75  10.83 +/- 3.67   4.124% *  0.4859% (0.34   0.02   0.02) =   0.079%
          HG    LEU   31 - HN    VAL   75  12.47 +/- 2.56   2.102% *  0.8064% (0.57   0.02   0.02) =   0.067%
          QD1   ILE   56 - HN    VAL   75  10.83 +/- 2.28   4.700% *  0.2819% (0.20   0.02   0.02) =   0.052%
          QD2   LEU  104 - HN    VAL   75  14.08 +/- 2.93   1.669% *  0.3171% (0.22   0.02   0.02) =   0.021%
    Distance limit 4.50 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 = 5.23, residual support = 82.9:
          QG1   VAL   75 - HN    VAL   75   3.38 +/- 0.44  96.355% * 99.6845% (0.92   5.23  82.87) =  99.988%  kept
          QD1   LEU  115 - HN    VAL   75  11.67 +/- 2.37   3.645% *  0.3155% (0.76   0.02   0.02) =   0.012%
    Distance limit 4.54 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 = 0.485, support = 4.94, residual support = 82.1:
          QG2   VAL   75 - HN    VAL   75   3.03 +/- 0.51  82.602% * 94.6422% (0.49   4.98  82.87) =  99.125%  kept
          QG2   VAL   42 - HN    VAL   75   7.63 +/- 1.64  13.205% *  5.1632% (0.34   0.39   0.02) =   0.865%  kept
          QD1   ILE   89 - HN    VAL   75  11.80 +/- 2.91   4.193% *  0.1946% (0.25   0.02   0.02) =   0.010%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.694, support = 4.37, residual support = 183.3:
      O   HB3   LYS+  74 - HN    LYS+  74   2.65 +/- 0.38  48.433% * 90.3119% (0.71  10.0   4.35 186.86) =  97.630%  kept
          HB3   LEU   73 - HN    LYS+  74   3.67 +/- 0.76  23.886% *  3.8492% (0.11   1.0   5.51  42.84) =   2.052%  kept
          HG12  ILE   19 - HN    LYS+  74   9.30 +/- 5.26   2.545% *  5.3317% (0.43   1.0   1.94   7.68) =   0.303%  kept
          HB    VAL   42 - HN    LYS+  74   8.81 +/- 3.30  12.433% *  0.0179% (0.14   1.0   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    LYS+  74   9.08 +/- 2.24   6.686% *  0.0279% (0.22   1.0   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    LYS+  74  12.76 +/- 3.51   0.797% *  0.0785% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LYS+  74  12.67 +/- 2.93   0.665% *  0.0874% (0.68   1.0   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    LYS+  74  12.82 +/- 3.54   0.807% *  0.0441% (0.34   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  19.76 +/- 4.28   0.318% *  0.0905% (0.71   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LYS+  74  10.80 +/- 2.14   1.134% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74   9.97 +/- 1.14   1.108% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  17.25 +/- 3.29   0.392% *  0.0476% (0.37   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  17.67 +/- 3.65   0.286% *  0.0549% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.08 +/- 2.15   0.512% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 6.03, residual support = 42.8:
          QD2   LEU   73 - HN    LYS+  74   3.70 +/- 0.38  89.642% * 97.3763% (0.20   6.03  42.84) =  99.939%  kept
          QD1   ILE   56 - HN    LYS+  74  13.11 +/- 2.53   3.160% *  0.6112% (0.37   0.02   0.02) =   0.022%
          HG3   LYS+ 121 - HN    LYS+  74  20.23 +/- 3.75   1.429% *  1.1514% (0.70   0.02   0.02) =   0.019%
          HG    LEU   31 - HN    LYS+  74  11.08 +/- 2.08   4.462% *  0.2034% (0.12   0.02   0.02) =   0.010%
          QD2   LEU  123 - HN    LYS+  74  16.62 +/- 2.03   1.307% *  0.6577% (0.40   0.02   0.02) =   0.010%
    Distance limit 3.88 A violated in 0 structures by 0.08 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.75, residual support = 42.8:
          HB2   LEU   73 - HN    LYS+  74   3.26 +/- 0.90  82.513% * 97.9763% (0.64   5.75  42.84) =  99.952%  kept
          QG1   ILE   56 - HN    LYS+  74  13.50 +/- 2.59   4.291% *  0.2150% (0.40   0.02   0.02) =   0.011%
          QD    LYS+  99 - HN    LYS+  74  17.11 +/- 4.10   1.869% *  0.3789% (0.71   0.02   0.02) =   0.009%
          QD    LYS+ 106 - HN    LYS+  74  16.13 +/- 3.41   1.785% *  0.3764% (0.70   0.02   0.02) =   0.008%
          HG3   PRO   93 - HN    LYS+  74  14.49 +/- 3.45   4.254% *  0.1295% (0.24   0.02   0.02) =   0.007%
          HB3   MET   92 - HN    LYS+  74  15.92 +/- 3.05   1.794% *  0.2902% (0.54   0.02   0.02) =   0.006%
          HB3   LYS+  99 - HN    LYS+  74  17.84 +/- 4.41   1.459% *  0.1703% (0.32   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    LYS+  74  23.07 +/- 4.56   0.536% *  0.2457% (0.46   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    LYS+  74  20.37 +/- 2.53   0.630% *  0.1425% (0.27   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  19.43 +/- 3.24   0.868% *  0.0752% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.39 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 = 0.563, support = 0.02, residual support = 0.0955:
          HB    VAL   41 - HN    LYS+  74   9.96 +/- 2.91  21.152% * 15.4986% (0.71   0.02   0.02) =  30.614%  kept
          QB    LYS+  66 - HN    LYS+  74  11.28 +/- 1.78  14.595% * 14.9905% (0.68   0.02   0.02) =  20.431%  kept
          HG2   PRO   93 - HN    LYS+  74  14.56 +/- 3.52  10.857% * 11.8708% (0.54   0.02   0.02) =  12.035%  kept
          HB2   LEU   71 - HN    LYS+  74   9.59 +/- 1.74  21.718% *  5.8297% (0.27   0.02   0.66) =  11.824%  kept
          QB    LYS+  65 - HN    LYS+  74   9.84 +/- 1.49  19.402% *  6.3858% (0.29   0.02   0.02) =  11.570%  kept
          HG12  ILE  103 - HN    LYS+  74  15.80 +/- 3.47   4.749% * 14.6936% (0.67   0.02   0.02) =   6.516%  kept
          HG    LEU  123 - HN    LYS+  74  19.66 +/- 2.22   2.417% * 11.2793% (0.51   0.02   0.02) =   2.546%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.24 +/- 3.53   3.170% *  8.1723% (0.37   0.02   0.02) =   2.420%  kept
          HB3   PRO   52 - HN    LYS+  74  20.82 +/- 2.56   1.940% * 11.2793% (0.51   0.02   0.02) =   2.044%  kept
    Distance limit 4.62 A violated in 16 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.772, support = 5.12, residual support = 41.2:
          HB3   PHE   72 - HN    LEU   73   3.52 +/- 0.72  71.961% * 71.3900% (0.76   5.41  44.40) =  91.898%  kept
          HB2   ASP-  44 - HN    LEU   73   7.94 +/- 2.33  16.558% * 27.2091% (0.87   1.82   4.82) =   8.059%  kept
          QG    GLU-  14 - HN    LEU   73  14.10 +/- 4.06   3.087% *  0.2885% (0.84   0.02   0.02) =   0.016%
          QG    GLU-  15 - HN    LEU   73  13.95 +/- 4.46   2.365% *  0.3267% (0.95   0.02   0.02) =   0.014%
          HG12  ILE  119 - HN    LEU   73  14.50 +/- 3.46   1.859% *  0.1178% (0.34   0.02   0.02) =   0.004%
          QB    MET   11 - HN    LEU   73  20.20 +/- 2.63   0.567% *  0.3097% (0.90   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    LEU   73  19.00 +/- 2.32   0.648% *  0.2372% (0.69   0.02   0.02) =   0.003%
          HG2   MET   92 - HN    LEU   73  17.52 +/- 3.14   1.667% *  0.0605% (0.18   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HN    LEU   73  14.84 +/- 1.64   1.288% *  0.0605% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.27, residual support = 173.2:
      O   HB2   LEU   73 - HN    LEU   73   3.44 +/- 0.28  78.950% * 99.3783% (0.99  10.0   6.27 173.26) =  99.986%  kept
          HG3   PRO   93 - HN    LEU   73  15.05 +/- 3.09   4.390% *  0.0689% (0.69   1.0   0.02   0.02) =   0.004%
          HB3   MET   92 - HN    LEU   73  16.58 +/- 2.54   1.883% *  0.0994% (0.99   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    LEU   73  14.63 +/- 3.99   1.518% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    LEU   73  14.83 +/- 3.24   1.459% *  0.0899% (0.90   1.0   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    LEU   73  12.99 +/- 2.74   5.953% *  0.0176% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  18.23 +/- 3.16   0.776% *  0.0728% (0.73   1.0   0.02   0.02) =   0.001%
          QG1   ILE   56 - HN    LEU   73  13.09 +/- 2.40   2.245% *  0.0250% (0.25   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  22.37 +/- 4.28   0.513% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  17.30 +/- 3.55   0.845% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    LEU   73  15.11 +/- 4.51   1.467% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.464, support = 6.14, residual support = 150.4:
      O   HB3   LEU   73 - HN    LEU   73   2.95 +/- 0.48  51.315% * 58.7929% (0.41  10.0   6.54 173.26) =  84.011%  kept
          HB3   LYS+  74 - HN    LEU   73   6.13 +/- 1.14  14.224% * 27.8944% (0.87   1.0   4.50  42.84) =  11.048%  kept
          HB    VAL   42 - HN    LEU   73   6.46 +/- 2.60  14.611% * 11.2100% (0.49   1.0   3.22   1.04) =   4.561%  kept
          HG12  ILE   19 - HN    LEU   73   7.57 +/- 4.65  10.081% *  1.2699% (0.28   1.0   0.64   4.43) =   0.357%  kept
          QB    LEU   98 - HN    LEU   73  10.80 +/- 3.62   1.842% *  0.1427% (1.00   1.0   0.02   0.02) =   0.007%
          HG3   LYS+  33 - HN    LEU   73  10.52 +/- 1.99   1.828% *  0.0810% (0.57   1.0   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    LEU   73  17.00 +/- 4.74   1.233% *  0.1195% (0.84   1.0   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LEU   73  11.58 +/- 1.67   1.118% *  0.0696% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    LEU   73  14.93 +/- 3.19   0.735% *  0.0982% (0.69   1.0   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LEU   73  16.83 +/- 2.64   0.429% *  0.1320% (0.92   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LEU   73  15.08 +/- 3.79   1.070% *  0.0283% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  15.53 +/- 3.71   0.487% *  0.0318% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  19.47 +/- 3.78   0.338% *  0.0441% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  19.06 +/- 4.18   0.264% *  0.0537% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  17.07 +/- 2.93   0.424% *  0.0318% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.973, support = 8.06, residual support = 171.4:
          QD2   LEU   73 - HN    LEU   73   1.89 +/- 0.28  75.087% * 83.3332% (0.98   8.11 173.26) =  98.888%  kept
          QG1   VAL   43 - HN    LEU   73   6.50 +/- 2.60   4.372% * 14.8021% (0.38   3.76   6.40) =   1.023%  kept
          QG1   VAL   41 - HN    LEU   73   6.70 +/- 2.44   3.317% *  1.3940% (0.57   0.23   0.02) =   0.073%
          QG2   VAL   18 - HN    LEU   73   7.89 +/- 4.57  14.354% *  0.0415% (0.20   0.02   0.21) =   0.009%
          HG    LEU   31 - HN    LEU   73   8.56 +/- 2.54   1.482% *  0.2092% (1.00   0.02   1.60) =   0.005%
          QD1   ILE   56 - HN    LEU   73  12.73 +/- 2.22   0.425% *  0.1679% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   73  17.44 +/- 4.32   0.963% *  0.0523% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.98 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 = 0.578, support = 5.99, residual support = 155.9:
          QD1   LEU   73 - HN    LEU   73   3.40 +/- 0.70  53.811% * 61.9433% (0.57   6.55 173.26) =  89.975%  kept
          QG2   VAL   41 - HN    LEU   73   6.01 +/- 2.47  24.934% *  8.9814% (0.61   0.89   0.02) =   6.045%  kept
          QD2   LEU   63 - HN    LEU   73   8.67 +/- 1.65   4.930% * 17.2433% (1.00   1.03   0.13) =   2.295%  kept
          QD1   LEU   63 - HN    LEU   73   8.54 +/- 1.70   5.363% * 11.3999% (0.57   1.21   0.13) =   1.650%  kept
          QD2   LEU   98 - HN    LEU   73   9.14 +/- 3.29   5.080% *  0.1373% (0.41   0.02   0.02) =   0.019%
          QD1   LEU   80 - HN    LEU   73  13.13 +/- 3.62   2.519% *  0.1373% (0.41   0.02   0.02) =   0.009%
          QD2   LEU   80 - HN    LEU   73  12.40 +/- 2.83   2.048% *  0.0743% (0.22   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LEU   73  13.24 +/- 2.66   1.314% *  0.0833% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.38 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 = 0.676, support = 3.03, residual support = 3.98:
          QB    ALA   64 - HN    LEU   73   5.25 +/- 1.28  48.004% * 81.6669% (0.73   3.43   4.63) =  81.952%  kept
          QG1   VAL   42 - HN    LEU   73   5.53 +/- 2.64  48.314% * 17.8472% (0.45   1.21   1.04) =  18.025%  kept
          QB    ALA   47 - HN    LEU   73  14.27 +/- 1.66   2.586% *  0.3711% (0.57   0.02   0.02) =   0.020%
          HG2   LYS+ 112 - HN    LEU   73  19.63 +/- 3.77   1.097% *  0.1148% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.75 A violated in 0 structures by 0.16 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.279, support = 1.75, residual support = 6.17:
          QG2   VAL   43 - HN    LEU   73   6.28 +/- 2.58  45.319% * 91.3059% (0.25   1.83   6.40) =  95.557%  kept
          QD2   LEU   31 - HN    LEU   73   6.52 +/- 2.02  38.075% *  3.9982% (1.00   0.02   1.60) =   3.516%  kept
          QG2   VAL   83 - HN    LEU   73  13.59 +/- 3.74   9.341% *  2.9033% (0.73   0.02   0.02) =   0.626%  kept
          QD1   ILE   89 - HN    LEU   73  15.26 +/- 3.31   7.265% *  1.7925% (0.45   0.02   0.02) =   0.301%  kept
    Distance limit 4.63 A violated in 3 structures by 0.74 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.576, support = 4.71, residual support = 85.5:
      O   HB2   PHE   72 - HN    PHE   72   3.55 +/- 0.39  58.666% * 79.6197% (0.53  10.0   4.96  90.35) =  88.571%  kept
          HA    ALA   64 - HN    PHE   72   5.02 +/- 1.17  29.636% * 20.3270% (0.97   1.0   2.78  47.83) =  11.423%  kept
          HB3   ASN   35 - HN    PHE   72  13.24 +/- 3.18   7.648% *  0.0299% (0.20   1.0   0.02   0.02) =   0.004%
          HB3   ASN   69 - HN    PHE   72   8.88 +/- 0.80   4.051% *  0.0233% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.82 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 = 5.26, residual support = 90.3:
      O   HB3   PHE   72 - HN    PHE   72   3.11 +/- 0.28  82.235% * 99.3598% (0.76  10.0   5.26  90.35) =  99.979%  kept
          QG    GLU-  14 - HN    PHE   72  12.47 +/- 4.52   4.861% *  0.1086% (0.84   1.0   0.02   0.02) =   0.006%
          QG    GLU-  15 - HN    PHE   72  11.94 +/- 5.26   4.085% *  0.1230% (0.95   1.0   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    PHE   72   9.06 +/- 1.39   4.415% *  0.1128% (0.87   1.0   0.02   0.02) =   0.006%
          HG12  ILE  119 - HN    PHE   72  13.58 +/- 3.00   1.884% *  0.0443% (0.34   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   72  18.91 +/- 2.67   0.481% *  0.1166% (0.90   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   72  20.90 +/- 2.27   0.319% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  14.26 +/- 2.24   1.084% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  19.26 +/- 3.20   0.636% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 3.93, residual support = 18.6:
          HG    LEU   71 - HN    PHE   72   5.12 +/- 0.55  32.847% * 88.2225% (0.99   4.17  19.74) =  94.146%  kept
          HG13  ILE   19 - HN    PHE   72   7.52 +/- 4.93  28.849% *  2.4973% (0.95   0.12   1.02) =   2.341%  kept
          HG2   LYS+  74 - HN    PHE   72   8.07 +/- 1.27  12.882% *  4.8158% (1.00   0.23   1.49) =   2.016%  kept
          QG2   THR   39 - HN    PHE   72   7.58 +/- 1.83  13.710% *  3.1843% (0.65   0.23   0.02) =   1.418%  kept
          HG3   LYS+  99 - HN    PHE   72  15.44 +/- 5.80   2.190% *  0.4271% (1.00   0.02   0.02) =   0.030%
          HG3   LYS+  38 - HN    PHE   72  13.19 +/- 2.84   5.345% *  0.1603% (0.38   0.02   0.02) =   0.028%
          QB    ALA   91 - HN    PHE   72  16.54 +/- 1.88   1.025% *  0.2763% (0.65   0.02   0.02) =   0.009%
          QG2   ILE   56 - HN    PHE   72  13.55 +/- 1.63   1.934% *  0.0951% (0.22   0.02   0.02) =   0.006%
          HG12  ILE   89 - HN    PHE   72  21.02 +/- 3.11   0.602% *  0.1756% (0.41   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    PHE   72  22.12 +/- 3.10   0.616% *  0.1457% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.29 A violated in 0 structures by 0.15 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.924, support = 5.2, residual support = 20.1:
          QD2   LEU   71 - HN    PHE   72   3.88 +/- 0.37  40.083% * 89.9373% (0.97   5.46  19.74) =  93.765%  kept
          QD1   LEU   67 - HN    PHE   72   4.69 +/- 1.69  31.817% *  7.1264% (0.31   1.35  26.27) =   5.898%  kept
          HG3   LYS+  74 - HN    PHE   72   8.70 +/- 1.32   4.940% *  2.0305% (0.53   0.23   1.49) =   0.261%  kept
          QD2   LEU   40 - HN    PHE   72   6.81 +/- 1.72  19.170% *  0.0950% (0.28   0.02   0.02) =   0.047%
          QG2   ILE  119 - HN    PHE   72  12.37 +/- 2.42   1.866% *  0.3296% (0.97   0.02   0.02) =   0.016%
          QD1   ILE  103 - HN    PHE   72  13.63 +/- 2.93   1.116% *  0.3408% (1.00   0.02   0.02) =   0.010%
          QG2   ILE  103 - HN    PHE   72  13.83 +/- 2.42   1.008% *  0.1404% (0.41   0.02   0.02) =   0.004%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.734, support = 2.76, residual support = 38.8:
          HA    VAL   70 - HN    PHE   72   4.79 +/- 0.33  30.867% * 73.1713% (0.80   3.26  48.95) =  78.908%  kept
          HA    VAL   18 - HN    PHE   72   6.34 +/- 6.97  46.183% *  8.8491% (0.31   1.02   1.42) =  14.278%  kept
          HB2   SER   37 - HN    PHE   72  10.17 +/- 2.14  11.532% * 16.6300% (0.87   0.68   0.02) =   6.700%  kept
          HA1   GLY   16 - HN    PHE   72  10.59 +/- 6.80   6.578% *  0.2953% (0.53   0.02   0.02) =   0.068%
          HA    LYS+  33 - HN    PHE   72  12.94 +/- 1.47   1.883% *  0.2732% (0.49   0.02   0.02) =   0.018%
          HA    GLN  116 - HN    PHE   72  16.23 +/- 2.73   0.992% *  0.4495% (0.80   0.02   0.02) =   0.016%
          HA    GLU-  29 - HN    PHE   72  14.39 +/- 1.53   1.587% *  0.1915% (0.34   0.02   0.02) =   0.011%
          HB2   SER   82 - HN    PHE   72  21.19 +/- 3.18   0.379% *  0.1400% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 6.25, residual support = 34.1:
          HB    VAL   70 - HN    LEU   71   4.12 +/- 0.33  67.507% * 98.0079% (0.98   6.26  34.20) =  99.751%  kept
          HB2   LYS+  38 - HN    LEU   71  10.10 +/- 2.60  10.849% *  1.0233% (0.28   0.23   0.02) =   0.167%  kept
          QG    GLN   17 - HN    LEU   71   9.41 +/- 4.77  13.643% *  0.3186% (1.00   0.02   0.02) =   0.066%
          HB2   MET   96 - HN    LEU   71  13.62 +/- 2.68   2.628% *  0.2066% (0.65   0.02   0.02) =   0.008%
          HG2   GLU- 100 - HN    LEU   71  15.36 +/- 6.52   3.432% *  0.0711% (0.22   0.02   0.02) =   0.004%
          HB2   GLU-  25 - HN    LEU   71  19.05 +/- 1.49   0.742% *  0.3165% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.25 +/- 1.48   1.198% *  0.0559% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.48 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 = 0.978, support = 6.32, residual support = 137.4:
      O   HB2   LEU   71 - HN    LEU   71   2.85 +/- 0.45  76.852% * 96.6312% (0.98  10.0   6.33 137.85) =  99.692%  kept
          HB    VAL   41 - HN    LEU   71   8.22 +/- 2.38   7.473% *  2.9382% (0.45   1.0   1.33   0.76) =   0.295%  kept
          HB3   GLN   17 - HN    LEU   71  10.33 +/- 5.66   8.557% *  0.0519% (0.53   1.0   0.02   0.02) =   0.006%
          QB    LYS+  65 - HN    LEU   71  10.90 +/- 1.86   2.103% *  0.0977% (0.99   1.0   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    LEU   71  10.25 +/- 0.92   2.349% *  0.0638% (0.65   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    LEU   71  15.89 +/- 4.63   1.086% *  0.0984% (1.00   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  18.47 +/- 3.31   0.754% *  0.0884% (0.90   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   71  15.14 +/- 3.79   0.827% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 5.6, residual support = 129.4:
          HG    LEU   71 - HN    LEU   71   3.23 +/- 0.69  54.669% * 77.3231% (0.99   5.89 137.85) =  93.792%  kept
          HG13  ILE   19 - HN    LEU   71   8.59 +/- 4.34  13.519% * 18.2660% (0.95   1.46   1.25) =   5.479%  kept
          QG2   THR   39 - HN    LEU   71   5.58 +/- 1.91  22.076% *  1.1854% (0.65   0.14   0.13) =   0.581%  kept
          HG2   LYS+  74 - HN    LEU   71  11.40 +/- 1.60   2.290% *  2.4314% (1.00   0.18   0.66) =   0.124%  kept
          HG3   LYS+  99 - HN    LEU   71  13.98 +/- 6.83   2.207% *  0.2650% (1.00   0.02   0.02) =   0.013%
          HG3   LYS+  38 - HN    LEU   71  10.80 +/- 2.71   3.639% *  0.0994% (0.38   0.02   0.02) =   0.008%
          QB    ALA   91 - HN    LEU   71  18.63 +/- 2.24   0.372% *  0.1714% (0.65   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    LEU   71  14.99 +/- 2.39   0.766% *  0.0590% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    LEU   71  23.37 +/- 3.54   0.223% *  0.1089% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  23.38 +/- 2.93   0.240% *  0.0904% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.12 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.9, support = 5.81, residual support = 89.4:
          QD1   LEU   71 - HN    LEU   71   3.48 +/- 0.80  45.528% * 40.7313% (0.84   6.07 137.85) =  54.653%  kept
          QG1   VAL   70 - HN    LEU   71   4.24 +/- 0.29  29.677% * 46.9579% (0.98   5.96  34.20) =  41.072%  kept
          QG1   VAL   18 - HN    LEU   71   8.36 +/- 4.81  14.094% *  9.3018% (1.00   1.16   0.02) =   3.864%  kept
          HB3   LEU   63 - HN    LEU   71   8.84 +/- 1.74   4.821% *  2.7649% (0.69   0.50   0.02) =   0.393%  kept
          QD1   LEU  123 - HN    LEU   71  12.15 +/- 4.07   3.707% *  0.1342% (0.84   0.02   0.02) =   0.015%
          HB3   LEU  104 - HN    LEU   71  15.65 +/- 4.81   1.788% *  0.0782% (0.49   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    LEU   71  18.50 +/- 1.44   0.385% *  0.0318% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 34.2:
          QG2   VAL   70 - HN    LEU   71   3.01 +/- 0.51 100.000% *100.0000% (0.73   6.36  34.20) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 79.3:
      O   HB    VAL   70 - HN    VAL   70   2.84 +/- 0.35  86.636% * 99.6297% (0.76  10.0   4.31  79.28) =  99.985%  kept
          QG    GLN   17 - HN    VAL   70   9.39 +/- 5.29   9.881% *  0.1089% (0.84   1.0   0.02   0.02) =   0.012%
          HB2   LYS+  38 - HN    VAL   70  12.59 +/- 2.76   1.908% *  0.0738% (0.57   1.0   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    VAL   70  14.91 +/- 2.39   0.927% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  21.69 +/- 1.74   0.266% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.81 +/- 2.22   0.382% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.808, support = 0.742, residual support = 2.82:
          HB3   LEU   67 - HN    VAL   70   3.81 +/- 0.69  39.428% * 32.7850% (0.87   0.84   0.34) =  75.017%  kept
          HG    LEU   67 - HN    VAL   70   4.11 +/- 1.63  34.164% *  5.1968% (0.49   0.24   0.34) =  10.303%  kept
          HG    LEU   40 - HN    VAL   70   7.23 +/- 1.30   5.290% * 24.2542% (0.61   0.89  33.77) =   7.447%  kept
          QG    LYS+  66 - HN    VAL   70   8.26 +/- 0.78   4.317% * 13.2816% (0.98   0.30   0.02) =   3.328%  kept
          HG    LEU   73 - HN    VAL   70  11.79 +/- 1.25   2.085% * 18.3437% (0.99   0.41   0.82) =   2.220%  kept
          HG12  ILE   19 - HN    VAL   70  10.88 +/- 4.77   7.829% *  3.1753% (0.41   0.17   0.16) =   1.443%  kept
          QB    ALA   61 - HN    VAL   70  10.43 +/- 1.15   3.906% *  0.6538% (0.73   0.02   0.02) =   0.148%  kept
          HG    LEU   80 - HN    VAL   70  20.75 +/- 4.41   1.321% *  0.4737% (0.53   0.02   0.02) =   0.036%
          HB3   LEU  115 - HN    VAL   70  15.60 +/- 2.36   0.814% *  0.5461% (0.61   0.02   0.02) =   0.026%
          HG2   LYS+ 102 - HN    VAL   70  20.62 +/- 5.66   0.463% *  0.8517% (0.95   0.02   0.02) =   0.023%
          QB    ALA  110 - HN    VAL   70  18.71 +/- 1.87   0.383% *  0.4382% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.37 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 = 0.927, support = 4.71, residual support = 76.3:
          QG1   VAL   70 - HN    VAL   70   2.20 +/- 0.29  74.833% * 52.3650% (0.92   4.77  79.28) =  93.390%  kept
          QD1   LEU   71 - HN    VAL   70   5.85 +/- 1.08   5.838% * 46.9182% (1.00   3.94  34.20) =   6.527%  kept
          QG1   VAL   18 - HN    VAL   70   9.06 +/- 5.30   8.626% *  0.1988% (0.84   0.02   0.02) =   0.041%
          QD1   LEU  123 - HN    VAL   70  10.83 +/- 4.66   5.375% *  0.2380% (1.00   0.02   0.02) =   0.030%
          HB3   LEU   63 - HN    VAL   70   7.22 +/- 2.27   4.947% *  0.0812% (0.34   0.02   0.02) =   0.010%
          HB3   LEU  104 - HN    VAL   70  16.51 +/- 5.17   0.381% *  0.1988% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 79.3:
          QG2   VAL   70 - HN    VAL   70   3.65 +/- 0.46 100.000% *100.0000% (0.98   3.89  79.28) = 100.000%  kept
    Distance limit 4.14 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 = 59.0:
      O   HB2   ASN   69 - HD22  ASN   69   3.71 +/- 0.57  89.182% * 99.7633% (0.55  10.0   2.96  58.99) =  99.996%  kept
          QE    LYS+  66 - HD22  ASN   69  11.75 +/- 2.51   5.224% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD22  ASN   69  20.04 +/- 3.25   1.098% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  14.50 +/- 3.20   3.221% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  23.37 +/- 3.52   0.744% *  0.0739% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HD22  ASN   69  22.02 +/- 2.09   0.530% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.558, support = 3.14, residual support = 23.5:
          QG1   VAL   70 - HD22  ASN   69   4.42 +/- 1.49  42.873% * 92.4525% (0.56   3.26  24.51) =  95.980%  kept
          QD1   LEU   71 - HD22  ASN   69   7.23 +/- 1.96  26.246% *  5.7970% (0.53   0.22   0.02) =   3.684%  kept
          QD1   LEU  123 - HD22  ASN   69  11.53 +/- 6.12  14.050% *  0.5369% (0.53   0.02   0.02) =   0.183%  kept
          HB3   LEU   63 - HD22  ASN   69  10.27 +/- 3.27  10.040% *  0.2986% (0.30   0.02   0.02) =   0.073%
          QG1   VAL   18 - HD22  ASN   69  11.94 +/- 4.53   4.734% *  0.5478% (0.54   0.02   0.02) =   0.063%
          HB3   LEU  104 - HD22  ASN   69  16.66 +/- 6.25   2.058% *  0.3672% (0.36   0.02   0.02) =   0.018%
    Distance limit 4.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.95, residual support = 2.95:
          HA    LEU   67 - HN    ASN   69   4.07 +/- 0.51 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.0:
          HD2   PRO   68 - HN    ASN   69   2.94 +/- 0.75  92.638% * 99.1828% (0.80   5.97  30.96) =  99.976%  kept
          HA    ALA   61 - HN    ASN   69  11.90 +/- 1.26   4.091% *  0.3928% (0.95   0.02   0.02) =   0.017%
          HA    VAL   75 - HN    ASN   69  15.07 +/- 2.09   2.130% *  0.1558% (0.38   0.02   0.02) =   0.004%
          HD3   PRO   58 - HN    ASN   69  16.80 +/- 2.48   1.141% *  0.2686% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.96, residual support = 31.0:
          HD3   PRO   68 - HN    ASN   69   3.85 +/- 0.57  89.045% * 98.4632% (0.99   5.97  30.96) =  99.962%  kept
          HD3   PRO   93 - HN    ASN   69  20.98 +/- 3.86   4.470% *  0.3323% (1.00   0.02   0.02) =   0.017%
          HB2   PHE   59 - HN    ASN   69  14.44 +/- 2.94   2.825% *  0.2545% (0.76   0.02   0.02) =   0.008%
          HB3   CYS   53 - HN    ASN   69  20.12 +/- 3.30   1.471% *  0.3214% (0.97   0.02   0.02) =   0.005%
          QB    PHE   55 - HN    ASN   69  19.20 +/- 2.39   1.153% *  0.3214% (0.97   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HN    ASN   69  21.21 +/- 2.92   1.036% *  0.3074% (0.92   0.02   0.02) =   0.004%
    Distance limit 4.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   9.11 +/- 1.15  32.949% * 39.8620% (0.87   0.02   0.02) =  47.351%  kept
          HB3   ASN   35 - HN    ASN   69  16.04 +/- 4.29  16.031% * 45.9543% (1.00   0.02   0.02) =  26.560%  kept
          HA    ALA   64 - HN    ASN   69   7.63 +/- 1.11  51.019% * 14.1837% (0.31   0.02   0.02) =  26.089%  kept
    Distance limit 3.97 A violated in 19 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.158, support = 3.7, residual support = 23.5:
          HB    VAL   70 - HN    ASN   69   4.72 +/- 0.67  62.332% * 82.1788% (0.15   3.84  24.51) =  95.988%  kept
          QG    GLN   17 - HN    ASN   69   9.98 +/- 5.37  22.650% *  8.3909% (0.20   0.31   0.02) =   3.561%  kept
          HB2   LYS+  38 - HN    ASN   69  13.44 +/- 3.13   6.026% *  2.7506% (0.99   0.02   0.02) =   0.311%  kept
          QB    GLU-  36 - HN    ASN   69  14.58 +/- 3.49   4.565% *  0.4860% (0.18   0.02   0.02) =   0.042%
          HG3   GLU-  29 - HN    ASN   69  21.28 +/- 2.92   0.909% *  2.2222% (0.80   0.02   0.02) =   0.038%
          HB3   GLU-  29 - HN    ASN   69  19.48 +/- 2.94   1.336% *  1.1409% (0.41   0.02   0.02) =   0.029%
          HB2   GLN   90 - HN    ASN   69  27.17 +/- 4.05   0.501% *  1.6832% (0.61   0.02   0.02) =   0.016%
          HB2   GLU-  25 - HN    ASN   69  23.28 +/- 2.41   0.566% *  0.7716% (0.28   0.02   0.02) =   0.008%
          HB3   GLU-  79 - HN    ASN   69  20.39 +/- 3.81   1.116% *  0.3756% (0.14   0.02   0.02) =   0.008%
    Distance limit 4.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.948, support = 6.02, residual support = 30.9:
      O   HB3   PRO   68 - HN    ASN   69   3.83 +/- 0.83  33.675% * 95.4519% (0.99  10.0   6.03  30.96) =  94.934%  kept
          HG2   PRO   68 - HN    ASN   69   3.53 +/- 1.30  43.316% *  3.9276% (0.14   1.0   6.03  30.96) =   5.025%  kept
          QB    GLU-  15 - HN    ASN   69  11.14 +/- 5.15  10.212% *  0.0699% (0.73   1.0   0.02   0.02) =   0.021%
          HB2   GLN   17 - HN    ASN   69  11.70 +/- 5.72   3.910% *  0.0699% (0.73   1.0   0.02   0.02) =   0.008%
          HB    ILE  119 - HN    ASN   69  14.70 +/- 4.73   1.953% *  0.0545% (0.57   1.0   0.02   0.02) =   0.003%
          HG3   GLN   30 - HN    ASN   69  15.08 +/- 2.49   1.213% *  0.0835% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    ASN   69  14.54 +/- 2.08   0.949% *  0.0545% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    ASN   69  19.04 +/- 6.25   0.826% *  0.0623% (0.65   1.0   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    ASN   69  13.13 +/- 3.87   2.220% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASN   69  22.79 +/- 2.97   0.246% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  20.96 +/- 2.62   0.438% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  23.80 +/- 2.39   0.224% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.32 +/- 2.50   0.518% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.31 +/- 2.72   0.301% *  0.0329% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 30.9:
          HG3   PRO   68 - HN    ASN   69   3.91 +/- 0.63  76.644% * 92.7609% (0.38   5.49  30.96) =  99.791%  kept
          HB3   LYS+  38 - HN    ASN   69  12.99 +/- 2.95   4.213% *  0.8513% (0.95   0.02   0.02) =   0.050%
          HB    ILE   56 - HN    ASN   69  17.92 +/- 2.91   2.231% *  0.8979% (1.00   0.02   0.02) =   0.028%
          QB    LYS+  33 - HN    ASN   69  14.40 +/- 2.56   3.481% *  0.5458% (0.61   0.02   0.02) =   0.027%
          HB3   GLN   30 - HN    ASN   69  15.32 +/- 2.14   2.213% *  0.7206% (0.80   0.02   0.02) =   0.022%
          HB2   MET   92 - HN    ASN   69  22.98 +/- 3.63   1.924% *  0.5822% (0.65   0.02   0.02) =   0.016%
          QB    LYS+  81 - HN    ASN   69  23.11 +/- 3.53   1.279% *  0.6877% (0.76   0.02   0.02) =   0.012%
          QB    LYS+ 106 - HN    ASN   69  18.34 +/- 2.69   1.044% *  0.7206% (0.80   0.02   0.02) =   0.011%
          HB3   PRO   58 - HN    ASN   69  15.77 +/- 2.37   1.852% *  0.4035% (0.45   0.02   0.02) =   0.010%
          HB3   ASP- 105 - HN    ASN   69  17.62 +/- 4.46   1.567% *  0.4380% (0.49   0.02   0.02) =   0.010%
          HG2   ARG+  54 - HN    ASN   69  20.22 +/- 3.13   1.633% *  0.4035% (0.45   0.02   0.02) =   0.009%
          HB3   GLN   90 - HN    ASN   69  27.11 +/- 4.18   1.004% *  0.6181% (0.69   0.02   0.02) =   0.009%
          HB    ILE  103 - HN    ASN   69  20.50 +/- 4.05   0.915% *  0.3700% (0.41   0.02   0.02) =   0.005%
    Distance limit 4.28 A violated in 0 structures by 0.14 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.716, support = 4.26, residual support = 23.5:
          QG1   VAL   70 - HN    ASN   69   3.36 +/- 0.90  53.116% * 84.8993% (0.73   4.40  24.51) =  95.906%  kept
          QD1   LEU   71 - HN    ASN   69   6.76 +/- 1.50  13.241% * 13.5228% (0.49   1.05   0.02) =   3.808%  kept
          QG1   VAL   18 - HN    ASN   69  10.16 +/- 5.36  13.591% *  0.4435% (0.84   0.02   0.02) =   0.128%  kept
          HB3   LEU   63 - HN    ASN   69   8.21 +/- 2.46   9.095% *  0.5124% (0.97   0.02   0.02) =   0.099%
          QD1   LEU  123 - HN    ASN   69  10.85 +/- 5.17  10.041% *  0.2585% (0.49   0.02   0.02) =   0.055%
          QG1   VAL  108 - HN    ASN   69  19.81 +/- 2.34   0.310% *  0.2585% (0.49   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    ASN   69  17.63 +/- 5.42   0.607% *  0.1051% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.59 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 = 0.981, support = 3.94, residual support = 18.8:
          HD2   PRO   68 - HN    LEU   67   4.71 +/- 0.45  50.416% * 96.2185% (1.00   3.96  18.73) =  98.232%  kept
          HA    VAL   24 - HE3   TRP   27   5.78 +/- 0.30  28.511% *  2.8571% (0.04   2.74  23.23) =   1.650%  kept
          HA    ALA   61 - HN    LEU   67   8.20 +/- 0.60  10.444% *  0.4694% (0.97   0.02   0.02) =   0.099%
          HD3   PRO   58 - HN    LEU   67  14.28 +/- 1.17   1.959% *  0.1501% (0.31   0.02   0.02) =   0.006%
          HA    VAL   24 - HN    LEU   67  17.49 +/- 2.48   1.528% *  0.1659% (0.34   0.02   0.02) =   0.005%
          HA    ALA   61 - HE3   TRP   27  13.01 +/- 2.23   3.916% *  0.0590% (0.12   0.02   0.02) =   0.005%
          HD2   PRO   68 - HE3   TRP   27  15.50 +/- 2.30   2.039% *  0.0610% (0.13   0.02   0.02) =   0.003%
          HD3   PRO   58 - HE3   TRP   27  18.93 +/- 2.89   1.188% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.24, residual support = 18.7:
          HD3   PRO   68 - HN    LEU   67   4.20 +/- 0.47  78.677% * 97.3559% (0.76   4.24  18.73) =  99.940%  kept
          HD3   PRO   93 - HN    LEU   67  18.21 +/- 3.23   2.283% *  0.4810% (0.80   0.02   0.02) =   0.014%
          HB2   PHE   59 - HN    LEU   67  12.55 +/- 1.46   3.511% *  0.2470% (0.41   0.02   0.02) =   0.011%
          HB3   CYS   53 - HN    LEU   67  17.27 +/- 2.00   1.325% *  0.5682% (0.95   0.02   0.02) =   0.010%
          HD2   ARG+  54 - HN    LEU   67  18.15 +/- 2.21   1.178% *  0.5888% (0.98   0.02   0.02) =   0.009%
          QB    PHE   55 - HN    LEU   67  17.01 +/- 0.87   1.273% *  0.4126% (0.69   0.02   0.02) =   0.007%
          HD3   PRO   93 - HE3   TRP   27  18.46 +/- 3.53   4.912% *  0.0605% (0.10   0.02   0.02) =   0.004%
          HD3   PRO   68 - HE3   TRP   27  15.83 +/- 2.46   2.178% *  0.0577% (0.10   0.02   0.02) =   0.002%
          HB3   CYS   53 - HE3   TRP   27  19.51 +/- 2.75   1.400% *  0.0714% (0.12   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  17.54 +/- 2.71   1.708% *  0.0310% (0.05   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HE3   TRP   27  22.91 +/- 2.85   0.675% *  0.0740% (0.12   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  20.54 +/- 1.90   0.879% *  0.0519% (0.09   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.573, support = 3.29, residual support = 10.8:
          QE    LYS+  66 - HN    LEU   67   5.65 +/- 0.93  28.387% * 75.4532% (0.53   4.66  15.50) =  60.489%  kept
          HA    ALA   64 - HN    LEU   67   4.00 +/- 0.74  58.484% * 23.8775% (0.65   1.20   3.55) =  39.438%  kept
          HB3   ASN   35 - HN    LEU   67  17.33 +/- 4.53   4.078% *  0.5140% (0.84   0.02   0.02) =   0.059%
          HA    ALA   64 - HE3   TRP   27  10.80 +/- 1.63   4.119% *  0.0500% (0.08   0.02   0.02) =   0.006%
          HB3   ASN   35 - HE3   TRP   27  11.39 +/- 1.02   3.141% *  0.0646% (0.10   0.02   0.02) =   0.006%
          QE    LYS+  66 - HE3   TRP   27  16.11 +/- 2.98   1.791% *  0.0407% (0.07   0.02   0.02) =   0.002%
    Distance limit 4.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.607, support = 5.07, residual support = 59.5:
      O   HB2   LEU   67 - HN    LEU   67   3.01 +/- 0.42  57.719% * 82.2564% (0.61  10.0   5.10  60.58) =  97.536%  kept
          HG2   PRO   68 - HN    LEU   67   6.42 +/- 0.43   6.923% * 17.1638% (0.65   1.0   3.91  18.73) =   2.441%  kept
          HB    VAL   18 - HN    LEU   67   9.37 +/- 7.00  13.199% *  0.0463% (0.34   1.0   0.02   0.02) =   0.013%
          HB    ILE   19 - HN    LEU   67  11.89 +/- 3.39   1.992% *  0.0768% (0.57   1.0   0.02   0.02) =   0.003%
          HB    ILE   19 - HE3   TRP   27   6.47 +/- 1.76  10.863% *  0.0097% (0.07   1.0   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    LEU   67  14.82 +/- 1.29   0.624% *  0.1309% (0.97   1.0   0.02   0.02) =   0.002%
          HB2   LEU  115 - HN    LEU   67  15.61 +/- 1.61   0.524% *  0.1283% (0.95   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LEU   67  17.49 +/- 2.37   0.509% *  0.0660% (0.49   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HE3   TRP   27  10.91 +/- 2.81   2.457% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  12.63 +/- 1.64   1.070% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  18.24 +/- 3.26   0.473% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  17.55 +/- 1.70   0.347% *  0.0209% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.39 +/- 3.28   0.356% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  17.15 +/- 2.75   0.511% *  0.0110% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.46 +/- 0.23   1.567% *  0.0034% (0.02   1.0   0.02   0.59) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  21.72 +/- 2.31   0.179% *  0.0268% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.74 +/- 3.39   0.482% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.87 +/- 2.91   0.205% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.921, support = 4.59, residual support = 13.8:
          QB    LYS+  66 - HN    LEU   67   3.79 +/- 0.53  36.227% * 75.4470% (0.95   4.96  15.50) =  88.850%  kept
          QB    LYS+  65 - HN    LEU   67   5.35 +/- 0.59  14.947% * 21.5016% (0.76   1.75   0.33) =  10.447%  kept
          HB    VAL   41 - HE3   TRP   27   8.12 +/- 4.06  15.531% *  1.2022% (0.10   0.74   0.40) =   0.607%  kept
          HB2   LEU   71 - HN    LEU   67   9.34 +/- 1.80   3.709% *  0.2336% (0.73   0.02   0.02) =   0.028%
          HB3   GLN   17 - HN    LEU   67  10.81 +/- 5.70   6.860% *  0.0716% (0.22   0.02   0.02) =   0.016%
          HB    VAL   41 - HN    LEU   67  13.07 +/- 2.18   1.209% *  0.2575% (0.80   0.02   0.02) =   0.010%
          HG2   PRO   93 - HN    LEU   67  16.74 +/- 3.13   0.975% *  0.3188% (0.99   0.02   0.02) =   0.010%
          HG    LEU  123 - HN    LEU   67  13.99 +/- 4.25   1.993% *  0.1207% (0.38   0.02   0.02) =   0.008%
          HG2   PRO   93 - HE3   TRP   27  17.75 +/- 3.77   3.992% *  0.0401% (0.12   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    LEU   67  19.80 +/- 4.01   0.399% *  0.2790% (0.87   0.02   0.02) =   0.004%
          HG12  ILE  103 - HN    LEU   67  18.64 +/- 3.64   0.431% *  0.2081% (0.65   0.02   0.02) =   0.003%
          QB    LYS+  66 - HE3   TRP   27  14.31 +/- 2.95   2.343% *  0.0382% (0.12   0.02   0.02) =   0.003%
          HB2   LEU   71 - HE3   TRP   27  10.75 +/- 2.39   2.459% *  0.0294% (0.09   0.02   0.02) =   0.002%
          QB    LYS+  65 - HE3   TRP   27  13.33 +/- 2.27   1.575% *  0.0309% (0.10   0.02   0.02) =   0.002%
          HG    LEU  123 - HE3   TRP   27  20.70 +/- 4.83   2.988% *  0.0152% (0.05   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  13.75 +/- 4.09   1.192% *  0.0262% (0.08   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  15.23 +/- 4.30   0.863% *  0.0351% (0.11   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   67  21.52 +/- 1.42   0.213% *  0.1207% (0.38   0.02   0.02) =   0.001%
          HB3   GLN   17 - HE3   TRP   27  13.06 +/- 2.29   1.937% *  0.0090% (0.03   0.02   0.02) =   0.001%
          HB3   PRO   52 - HE3   TRP   27  24.22 +/- 2.15   0.157% *  0.0152% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.07 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.614, support = 5.21, residual support = 56.1:
          HG    LEU   67 - HN    LEU   67   3.57 +/- 0.97  22.909% * 44.3727% (1.00   1.0   5.98  60.58) =  46.926%  kept
      O   HB3   LEU   67 - HN    LEU   67   3.23 +/- 0.55  25.015% * 37.0957% (0.25  10.0   4.39  60.58) =  42.836%  kept
          QG    LYS+  66 - HN    LEU   67   4.23 +/- 0.39  12.096% * 16.6587% (0.41   1.0   5.45  15.50) =   9.302%  kept
          HG    LEU   73 - HE3   TRP   27   5.00 +/- 3.59  20.314% *  0.9671% (0.08   1.0   1.71  26.40) =   0.907%  kept
          HG    LEU   40 - HN    LEU   67  10.19 +/- 1.61   1.092% *  0.1475% (0.99   1.0   0.02   0.02) =   0.007%
          HG    LEU   40 - HE3   TRP   27  11.09 +/- 2.95   6.208% *  0.0185% (0.12   1.0   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    LEU   67  11.73 +/- 1.60   0.917% *  0.0902% (0.61   1.0   0.02   0.02) =   0.004%
          HB3   LEU   40 - HN    LEU   67  10.37 +/- 1.96   1.216% *  0.0667% (0.45   1.0   0.02   0.02) =   0.004%
          HB3   LEU  115 - HN    LEU   67  15.17 +/- 1.56   0.242% *  0.1475% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    LEU   67   8.24 +/- 0.52   1.502% *  0.0230% (0.15   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   67  14.22 +/- 2.94   0.322% *  0.1022% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   LEU   40 - HE3   TRP   27  11.61 +/- 2.66   3.850% *  0.0084% (0.06   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   67  15.97 +/- 1.78   0.196% *  0.1022% (0.69   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HE3   TRP   27  13.14 +/- 1.51   0.497% *  0.0187% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  23.03 +/- 5.00   0.085% *  0.1080% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  14.97 +/- 2.89   0.873% *  0.0077% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  17.78 +/- 3.76   0.341% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  18.34 +/- 3.75   0.432% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  18.71 +/- 3.70   0.269% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.68 +/- 4.61   0.248% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  12.95 +/- 1.64   0.551% *  0.0047% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  12.26 +/- 2.30   0.826% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.31, support = 4.17, residual support = 59.7:
          QD1   LEU   67 - HN    LEU   67   3.43 +/- 0.84  43.420% * 89.9712% (0.31   4.22  60.58) =  98.616%  kept
          HG3   LYS+  74 - HE3   TRP   27  10.82 +/- 2.62   6.016% *  3.6268% (0.07   0.79   0.02) =   0.551%  kept
          QD2   LEU   71 - HN    LEU   67   7.04 +/- 1.97  16.152% *  1.3325% (0.97   0.02   0.02) =   0.543%  kept
          HG3   LYS+  74 - HN    LEU   67  10.44 +/- 2.50   5.438% *  0.7264% (0.53   0.02   0.02) =   0.100%
          QG2   ILE  119 - HN    LEU   67  11.17 +/- 2.58   2.394% *  1.3325% (0.97   0.02   0.02) =   0.081%
          QD2   LEU   40 - HN    LEU   67   9.23 +/- 1.51   3.359% *  0.3839% (0.28   0.02   0.02) =   0.033%
          QD2   LEU   71 - HE3   TRP   27   9.10 +/- 2.69   4.899% *  0.1675% (0.12   0.02   0.02) =   0.021%
          QD1   ILE  103 - HN    LEU   67  16.73 +/- 2.85   0.504% *  1.3777% (1.00   0.02   0.02) =   0.018%
          QD2   LEU   40 - HE3   TRP   27   9.88 +/- 2.38  10.896% *  0.0483% (0.03   0.02   0.02) =   0.013%
          QD1   ILE  103 - HE3   TRP   27  12.05 +/- 3.72   2.054% *  0.1732% (0.13   0.02   0.02) =   0.009%
          QG2   ILE  103 - HN    LEU   67  16.37 +/- 2.66   0.583% *  0.5676% (0.41   0.02   0.02) =   0.008%
          QD1   LEU   67 - HE3   TRP   27  10.03 +/- 1.63   2.431% *  0.0536% (0.04   0.02   0.02) =   0.003%
          QG2   ILE  103 - HE3   TRP   27  13.06 +/- 3.48   1.318% *  0.0714% (0.05   0.02   0.02) =   0.002%
          QG2   ILE  119 - HE3   TRP   27  16.08 +/- 3.21   0.536% *  0.1675% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.07, residual support = 31.5:
      O   HA    LYS+  65 - HN    LYS+  66   3.52 +/- 0.09  83.236% * 98.9277% (0.61  10.0   6.07  31.47) =  99.973%  kept
          QB    SER   48 - HN    LYS+  66  16.59 +/- 5.82   4.643% *  0.1617% (0.99   1.0   0.02   0.02) =   0.009%
          HA2   GLY   16 - HN    LYS+  66  14.03 +/- 5.34   3.996% *  0.1120% (0.69   1.0   0.02   0.02) =   0.005%
          QB    SER  117 - HN    LYS+  66  15.57 +/- 2.61   3.193% *  0.0923% (0.57   1.0   0.02   0.02) =   0.004%
          HA    ALA  120 - HN    LYS+  66  14.54 +/- 2.98   1.629% *  0.1574% (0.97   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+  66  15.90 +/- 1.98   1.135% *  0.1543% (0.95   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    LYS+  66  16.40 +/- 2.68   1.101% *  0.1463% (0.90   1.0   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    LYS+  66  18.73 +/- 2.39   0.646% *  0.1362% (0.84   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    LYS+  66  22.57 +/- 3.19   0.421% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 4.15 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 = 2.22, residual support = 6.48:
          HA    LEU   63 - HN    LYS+  66   3.65 +/- 0.38  98.357% * 98.9787% (0.99   2.22   6.48) =  99.991%  kept
          HB2   HIS   22 - HN    LYS+  66  18.35 +/- 2.98   1.075% *  0.6180% (0.69   0.02   0.02) =   0.007%
          HA2   GLY  101 - HN    LYS+  66  22.92 +/- 4.33   0.568% *  0.4033% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.851, support = 4.62, residual support = 22.7:
          HA    ALA   64 - HN    LYS+  66   3.90 +/- 0.39  61.952% * 76.4164% (0.95   4.46   8.20) =  86.834%  kept
          QE    LYS+  66 - HN    LYS+  66   5.23 +/- 0.70  31.230% * 22.8873% (0.22   5.68 118.94) =  13.111%  kept
          HB2   PHE   72 - HN    LYS+  66   9.46 +/- 1.42   5.309% *  0.5201% (0.22   0.13   0.23) =   0.051%
          HB3   ASN   35 - HN    LYS+  66  18.81 +/- 4.64   1.509% *  0.1762% (0.49   0.02   0.02) =   0.005%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.729, support = 5.52, residual support = 98.0:
      O   QB    LYS+  66 - HN    LYS+  66   2.69 +/- 0.39  56.293% * 68.0709% (0.65  10.0   5.36 118.94) =  76.059%  kept
          QB    LYS+  65 - HN    LYS+  66   3.10 +/- 0.28  38.289% * 31.4915% (0.99   1.0   6.04  31.47) =  23.933%  kept
          HB3   GLN   17 - HN    LYS+  66  12.27 +/- 4.69   2.526% *  0.0554% (0.53   1.0   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    LYS+  66  14.91 +/- 3.22   1.073% *  0.0944% (0.90   1.0   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LYS+  66  11.31 +/- 1.76   0.951% *  0.1031% (0.98   1.0   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    LYS+  66  13.91 +/- 2.12   0.521% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  20.37 +/- 3.37   0.147% *  0.1050% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.84 +/- 3.11   0.201% *  0.0325% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.634, support = 3.97, residual support = 49.1:
          HG    LEU   67 - HN    LYS+  66   5.43 +/- 1.20  28.353% * 78.4038% (0.87   3.56  15.50) =  67.321%  kept
          QG    LYS+  66 - HN    LYS+  66   3.50 +/- 0.66  56.558% * 19.0005% (0.15   4.85 118.94) =  32.545%  kept
          HB3   LEU   40 - HN    LYS+  66  11.80 +/- 1.81   2.378% *  0.4067% (0.80   0.02   0.02) =   0.029%
          HG    LEU   40 - HN    LYS+  66  11.22 +/- 1.51   2.349% *  0.3882% (0.76   0.02   0.02) =   0.028%
          QB    ALA  120 - HN    LYS+  66  13.38 +/- 2.63   1.459% *  0.4902% (0.97   0.02   0.02) =   0.022%
          HG    LEU  115 - HN    LYS+  66  14.16 +/- 1.89   1.203% *  0.4902% (0.97   0.02   0.02) =   0.018%
          HB3   LEU  115 - HN    LYS+  66  13.50 +/- 1.45   1.281% *  0.3882% (0.76   0.02   0.02) =   0.015%
          HB2   LYS+  74 - HN    LYS+  66  10.09 +/- 1.87   4.083% *  0.1005% (0.20   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    LYS+  66  11.92 +/- 1.95   2.059% *  0.1412% (0.28   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    LYS+  66  23.71 +/- 4.26   0.277% *  0.1906% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.14 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.55, residual support = 8.2:
          QB    ALA   64 - HN    LYS+  66   4.35 +/- 0.30 100.000% *100.0000% (0.95   3.55   8.20) = 100.000%  kept
    Distance limit 4.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.2, residual support = 160.3:
      O   HA    LYS+  65 - HN    LYS+  65   2.79 +/- 0.05  86.856% * 99.3218% (0.64  10.0   6.20 160.32) =  99.990%  kept
          QB    SER   48 - HN    LYS+  65  15.23 +/- 5.82   4.993% *  0.0822% (0.53   1.0   0.02   0.02) =   0.005%
          HA2   GLY   16 - HN    LYS+  65  15.07 +/- 4.89   1.089% *  0.1038% (0.67   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  14.77 +/- 2.07   0.716% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    LYS+  65  15.15 +/- 2.41   2.713% *  0.0268% (0.17   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LYS+  65  14.27 +/- 1.99   0.949% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  65  16.57 +/- 2.26   0.586% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  21.32 +/- 2.90   0.241% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  17.20 +/- 2.59   0.464% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  17.22 +/- 2.46   0.458% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  18.89 +/- 3.95   0.735% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  23.10 +/- 3.52   0.201% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 29.3:
      O   HA    ALA   64 - HN    LYS+  65   3.57 +/- 0.07  79.058% * 95.3780% (0.65  10.0   4.87  29.29) =  99.291%  kept
          QE    LYS+  66 - HN    LYS+  65   7.04 +/- 0.79  11.788% *  4.5505% (0.15   1.0   4.05  31.47) =   0.706%  kept
          HB2   PHE   72 - HN    LYS+  65   8.65 +/- 1.50   8.072% *  0.0224% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  18.89 +/- 4.19   1.082% *  0.0491% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 6.63, residual support = 156.4:
      O   QB    LYS+  65 - HN    LYS+  65   2.18 +/- 0.20  84.759% * 77.4836% (0.53  10.0   6.69 160.32) =  96.971%  kept
          QB    LYS+  66 - HN    LYS+  65   4.72 +/- 0.34   9.303% * 22.0089% (0.65   1.0   4.59  31.47) =   3.023%  kept
          HG2   PRO   93 - HN    LYS+  65  13.19 +/- 3.22   2.113% *  0.1005% (0.68   1.0   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    LYS+  65  11.57 +/- 2.22   1.239% *  0.0736% (0.50   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  65  13.36 +/- 2.28   0.531% *  0.0812% (0.55   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65  12.78 +/- 4.45   0.974% *  0.0226% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  13.67 +/- 2.43   0.569% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  20.14 +/- 2.87   0.143% *  0.0879% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  18.20 +/- 2.58   0.179% *  0.0656% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  17.91 +/- 1.74   0.191% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.169, support = 4.78, residual support = 136.6:
          HG2   LYS+  65 - HN    LYS+  65   3.61 +/- 0.63  61.627% * 56.5361% (0.14   5.38 160.32) =  85.174%  kept
          HG    LEU   67 - HN    LYS+  65   6.68 +/- 1.19  15.346% * 38.5741% (0.36   1.38   0.33) =  14.472%  kept
          HB3   LEU   40 - HN    LYS+  65  12.20 +/- 1.98   3.119% *  1.0601% (0.69   0.02   0.02) =   0.081%
          HB2   LYS+  74 - HN    LYS+  65   8.90 +/- 1.93   6.158% *  0.5172% (0.34   0.02   0.02) =   0.078%
          QB    ALA  120 - HN    LYS+  65  13.49 +/- 2.03   3.122% *  1.0050% (0.65   0.02   0.02) =   0.077%
          HG    LEU   40 - HN    LYS+  65  11.37 +/- 1.85   3.936% *  0.4368% (0.28   0.02   0.02) =   0.042%
          HG    LEU  115 - HN    LYS+  65  13.15 +/- 1.60   1.653% *  1.0050% (0.65   0.02   0.02) =   0.041%
          HB3   LEU  115 - HN    LYS+  65  12.53 +/- 1.36   1.854% *  0.4368% (0.28   0.02   0.02) =   0.020%
          QG2   THR   26 - HN    LYS+  65  13.86 +/- 2.18   1.636% *  0.2649% (0.17   0.02   0.02) =   0.011%
          HD2   LYS+ 121 - HN    LYS+  65  15.43 +/- 2.70   1.549% *  0.1639% (0.11   0.02   0.02) =   0.006%
    Distance limit 3.84 A violated in 0 structures by 0.11 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.288, support = 4.15, residual support = 104.9:
          HG3   LYS+  65 - HN    LYS+  65   3.55 +/- 0.87  46.907% * 43.4633% (0.17   5.26 160.32) =  64.665%  kept
          HB2   LEU   63 - HN    LYS+  65   5.07 +/- 0.45  21.600% * 50.9742% (0.50   2.12   3.59) =  34.923%  kept
          HB3   ASP-  44 - HN    LYS+  65   8.81 +/- 2.23   8.192% *  0.5531% (0.58   0.02   0.02) =   0.144%  kept
          HB3   PRO   93 - HN    LYS+  65  12.01 +/- 2.47   4.880% *  0.6563% (0.68   0.02   0.02) =   0.102%  kept
          HB3   LEU   73 - HN    LYS+  65  10.22 +/- 1.67   4.566% *  0.2044% (0.21   0.02   0.02) =   0.030%
          QB    ALA  124 - HN    LYS+  65  15.44 +/- 2.20   1.217% *  0.6264% (0.65   0.02   0.02) =   0.024%
          HB    VAL   42 - HN    LYS+  65   9.64 +/- 1.50   3.687% *  0.1651% (0.17   0.02   0.02) =   0.019%
          HB2   LEU   31 - HN    LYS+  65  16.98 +/- 4.01   1.881% *  0.2969% (0.31   0.02   0.02) =   0.018%
          HG    LEU   98 - HN    LYS+  65  16.71 +/- 2.88   0.793% *  0.6563% (0.68   0.02   0.02) =   0.017%
          QB    ALA   84 - HN    LYS+  65  17.18 +/- 2.13   0.715% *  0.6607% (0.69   0.02   0.02) =   0.015%
          HB3   LEU   80 - HN    LYS+  65  17.83 +/- 3.27   0.922% *  0.4016% (0.42   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - HN    LYS+  65  15.82 +/- 2.41   1.149% *  0.2722% (0.28   0.02   0.02) =   0.010%
          HG2   LYS+ 111 - HN    LYS+  65  19.37 +/- 3.11   0.963% *  0.2485% (0.26   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - HN    LYS+  65  18.11 +/- 2.50   0.525% *  0.3484% (0.36   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HN    LYS+  65  16.67 +/- 2.76   1.049% *  0.1310% (0.14   0.02   0.02) =   0.004%
          HG2   LYS+  99 - HN    LYS+  65  19.41 +/- 4.35   0.703% *  0.1160% (0.12   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LYS+  65  23.78 +/- 3.40   0.253% *  0.2259% (0.24   0.02   0.02) =   0.002%
    Distance limit 4.18 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 = 29.3:
          QB    ALA   64 - HN    LYS+  65   2.77 +/- 0.28 100.000% *100.0000% (0.65   4.86  29.29) = 100.000%  kept
    Distance limit 3.50 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 = 0.945, support = 0.747, residual support = 6.87:
          HA    ALA   61 - HN    ALA   64   3.68 +/- 0.34  80.172% * 95.1123% (0.95   0.75   6.90) =  99.556%  kept
          HD2   PRO   68 - HN    ALA   64   8.18 +/- 1.18   9.170% *  2.1470% (0.80   0.02   0.02) =   0.257%  kept
          HD3   PRO   58 - HN    ALA   64   9.94 +/- 1.01   4.986% *  1.7345% (0.65   0.02   0.02) =   0.113%  kept
          HA    VAL   75 - HN    ALA   64   9.96 +/- 1.46   5.672% *  1.0063% (0.38   0.02   0.02) =   0.075%
    Distance limit 4.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.21, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.79 +/- 0.07  85.994% * 99.9016% (0.95  10.0   4.22  20.66) =  99.996%  kept
          HB2   PHE   72 - HN    ALA   64   7.11 +/- 1.26   8.748% *  0.0235% (0.22   1.0   0.02  47.83) =   0.002%
          QE    LYS+  66 - HN    ALA   64   8.32 +/- 1.25   4.556% *  0.0235% (0.22   1.0   0.02   8.20) =   0.001%
          HB3   ASN   35 - HN    ALA   64  17.72 +/- 3.77   0.701% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.876, support = 5.15, residual support = 27.6:
          QB    LYS+  65 - HN    ALA   64   4.46 +/- 0.21  52.631% * 83.7604% (0.92   5.38  29.29) =  91.908%  kept
          QB    LYS+  66 - HN    ALA   64   5.87 +/- 0.76  25.647% * 14.9594% (0.34   2.60   8.20) =   7.999%  kept
          HB2   LEU   71 - HN    ALA   64  10.67 +/- 1.37   4.918% *  0.3192% (0.95   0.02   0.02) =   0.033%
          HG2   PRO   93 - HN    ALA   64  12.06 +/- 2.68   5.811% *  0.2047% (0.61   0.02   0.02) =   0.025%
          HB3   GLN   17 - HN    ALA   64  12.88 +/- 3.80   3.763% *  0.2818% (0.84   0.02   0.83) =   0.022%
          HB    VAL   41 - HN    ALA   64  11.52 +/- 1.91   3.890% *  0.0668% (0.20   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    ALA   64  18.48 +/- 2.89   0.899% *  0.2818% (0.84   0.02   0.02) =   0.005%
          HB2   LYS+  99 - HN    ALA   64  16.65 +/- 3.96   1.456% *  0.0668% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ALA   64  19.39 +/- 2.88   0.984% *  0.0591% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.707, support = 7.4, residual support = 53.6:
          HB2   LEU   63 - HN    ALA   64   2.99 +/- 0.47  56.582% * 82.4558% (0.73   7.55  54.61) =  95.997%  kept
          HG3   LYS+  65 - HN    ALA   64   5.97 +/- 1.09  12.584% * 15.0158% (0.25   4.00  29.29) =   3.888%  kept
          HB3   ASP-  44 - HN    ALA   64   7.24 +/- 1.93   9.656% *  0.2514% (0.84   0.02   0.02) =   0.050%
          HB3   PRO   93 - HN    ALA   64  10.67 +/- 2.08   3.788% *  0.2983% (0.99   0.02   0.02) =   0.023%
          HB    VAL   42 - HN    ALA   64   7.45 +/- 1.39   5.758% *  0.0750% (0.25   0.02   0.02) =   0.009%
          HB3   LEU   73 - HN    ALA   64   9.24 +/- 1.72   4.254% *  0.0929% (0.31   0.02   4.63) =   0.008%
          HB2   LEU   31 - HN    ALA   64  15.76 +/- 3.72   1.637% *  0.1349% (0.45   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ALA   64  14.95 +/- 2.89   0.722% *  0.2983% (0.99   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    ALA   64  14.51 +/- 1.94   0.716% *  0.2847% (0.95   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    ALA   64  16.68 +/- 1.64   0.489% *  0.3003% (1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HN    ALA   64  14.61 +/- 2.30   0.811% *  0.1237% (0.41   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ALA   64  17.37 +/- 2.80   0.465% *  0.1825% (0.61   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ALA   64  16.02 +/- 2.69   0.508% *  0.1583% (0.53   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ALA   64  17.91 +/- 2.81   0.563% *  0.1130% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  15.77 +/- 2.51   0.703% *  0.0596% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  17.88 +/- 4.32   0.544% *  0.0527% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  21.91 +/- 3.49   0.218% *  0.1027% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 6.67, residual support = 54.4:
          HG    LEU   63 - HN    ALA   64   4.34 +/- 0.96  63.518% * 97.6936% (0.53   6.71  54.61) =  99.537%  kept
          QD1   ILE  119 - HN    ALA   64   7.62 +/- 2.06  25.199% *  1.0030% (0.20   0.18   0.02) =   0.405%  kept
          HG3   LYS+ 112 - HN    ALA   64  14.42 +/- 2.38   2.656% *  0.5113% (0.92   0.02   0.02) =   0.022%
          QG2   VAL  108 - HN    ALA   64  13.95 +/- 1.31   2.762% *  0.3359% (0.61   0.02   0.02) =   0.015%
          QG2   VAL   24 - HN    ALA   64  13.99 +/- 2.52   3.765% *  0.2079% (0.38   0.02   0.02) =   0.013%
          HB2   LEU  104 - HN    ALA   64  15.30 +/- 3.12   2.100% *  0.2483% (0.45   0.02   0.02) =   0.008%
    Distance limit 4.74 A violated in 0 structures by 0.07 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.71, residual support = 54.5:
          HB3   LEU   63 - HN    ALA   64   3.37 +/- 0.63  55.991% * 99.3305% (0.97   6.71  54.61) =  99.897%  kept
          QG1   VAL   70 - HN    ALA   64   5.85 +/- 1.27  20.525% *  0.1261% (0.41   0.02   0.02) =   0.046%
          QG1   VAL   18 - HN    ALA   64   7.80 +/- 4.84  15.190% *  0.1613% (0.53   0.02   8.04) =   0.044%
          QD1   LEU   71 - HN    ALA   64   9.94 +/- 1.34   4.064% *  0.0683% (0.22   0.02   0.02) =   0.005%
          QD1   LEU  123 - HN    ALA   64   9.76 +/- 2.02   3.421% *  0.0683% (0.22   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    ALA   64  14.96 +/- 1.13   0.808% *  0.2455% (0.80   0.02   0.02) =   0.004%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.859, support = 6.15, residual support = 54.6:
          QD2   LEU   63 - HN    ALA   64   3.83 +/- 0.95  43.345% * 60.5235% (1.00   5.89  54.61) =  67.557%  kept
          QD1   LEU   63 - HN    ALA   64   4.37 +/- 0.32  32.269% * 38.9699% (0.57   6.70  54.61) =  32.383%  kept
          QD1   LEU   73 - HN    ALA   64   8.83 +/- 2.13  10.638% *  0.1163% (0.57   0.02   4.63) =   0.032%
          QG2   VAL   41 - HN    ALA   64  10.06 +/- 1.46   3.891% *  0.1246% (0.61   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    ALA   64   9.30 +/- 1.12   3.977% *  0.0512% (0.25   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ALA   64  12.30 +/- 2.53   2.360% *  0.0844% (0.41   0.02   0.02) =   0.005%
          QD1   LEU   80 - HN    ALA   64  15.16 +/- 2.82   1.574% *  0.0844% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   64  14.61 +/- 2.48   1.945% *  0.0457% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.01 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   2.02 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.24, residual support = 42.3:
      O   HA    ASP-  62 - HN    LEU   63   3.57 +/- 0.05  91.736% * 99.8321% (0.97  10.0   5.24  42.28) =  99.996%  kept
          HA    SER  117 - HN    LEU   63  13.23 +/- 2.22   6.785% *  0.0425% (0.41   1.0   0.02   0.02) =   0.003%
          HB    THR   26 - HN    LEU   63  18.46 +/- 2.90   1.069% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  22.97 +/- 2.73   0.409% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.705, support = 1.42, residual support = 9.07:
          HA    PHE   60 - HN    LEU   63   3.44 +/- 0.34  69.509% * 73.2438% (0.69   1.50   9.68) =  93.709%  kept
          QB    SER  117 - HN    LEU   63  12.11 +/- 2.34  14.807% * 22.2157% (0.99   0.32   0.02) =   6.055%  kept
          QB    SER   48 - HN    LEU   63  14.95 +/- 5.12   9.922% *  0.8049% (0.57   0.02   0.02) =   0.147%  kept
          HB    THR   94 - HN    LEU   63  13.03 +/- 1.60   1.596% *  0.9766% (0.69   0.02   0.02) =   0.029%
          HA    LYS+ 121 - HN    LEU   63  13.86 +/- 1.49   1.199% *  1.0865% (0.76   0.02   0.02) =   0.024%
          HA    ALA  120 - HN    LEU   63  11.81 +/- 1.78   2.139% *  0.4850% (0.34   0.02   0.02) =   0.019%
          HA2   GLY   51 - HN    LEU   63  16.16 +/- 1.16   0.828% *  1.1875% (0.84   0.02   0.02) =   0.018%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 241.7:
      O   HA    LEU   63 - HN    LEU   63   2.82 +/- 0.05  98.427% * 99.8508% (0.76  10.0   7.54 241.73) =  99.999%  kept
          HB2   HIS   22 - HN    LEU   63  18.56 +/- 3.92   1.337% *  0.0446% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY  101 - HN    LEU   63  22.27 +/- 3.57   0.236% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 42.3:
          HB2   ASP-  62 - HN    LEU   63   3.39 +/- 0.59  96.861% * 99.7488% (0.98   5.24  42.28) =  99.996%  kept
          HB2   PRO   52 - HN    LEU   63  16.37 +/- 1.58   1.134% *  0.1743% (0.45   0.02   0.02) =   0.002%
          QB    ASP- 113 - HN    LEU   63  13.98 +/- 1.71   2.005% *  0.0769% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.01 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   3.21 +/- 0.55  96.790% * 98.9504% (0.95   5.24  42.28) =  99.990%  kept
          HG3   MET   96 - HN    LEU   63  14.77 +/- 2.04   1.430% *  0.3689% (0.92   0.02   0.25) =   0.006%
          HG2   GLU-  36 - HN    LEU   63  20.94 +/- 3.09   0.610% *  0.2902% (0.73   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HN    LEU   63  21.87 +/- 3.48   0.589% *  0.2262% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    LEU   63  21.51 +/- 3.96   0.582% *  0.1643% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 8.15, residual support = 241.7:
      O   HB2   LEU   63 - HN    LEU   63   2.17 +/- 0.15  83.148% * 98.8228% (0.73  10.0   8.15 241.73) =  99.985%  kept
          HB3   ASP-  44 - HN    LEU   63   7.98 +/- 1.98   3.826% *  0.1137% (0.84   1.0   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LEU   63  10.32 +/- 2.26   1.378% *  0.1349% (0.99   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LEU   63   6.71 +/- 0.89   3.474% *  0.0339% (0.25   1.0   0.02   3.59) =   0.001%
          HB2   LEU   31 - HN    LEU   63  17.44 +/- 4.41   1.496% *  0.0610% (0.45   1.0   0.02   0.27) =   0.001%
          HB2   LYS+ 112 - HN    LEU   63  12.78 +/- 2.06   1.376% *  0.0559% (0.41   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LEU   63   8.60 +/- 1.46   1.691% *  0.0339% (0.25   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  13.31 +/- 1.66   0.404% *  0.1287% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  11.26 +/- 2.27   1.125% *  0.0420% (0.31   1.0   0.02   0.13) =   0.001%
          HG2   LYS+ 111 - HN    LEU   63  16.61 +/- 2.59   0.683% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  16.24 +/- 2.86   0.254% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  17.51 +/- 1.86   0.183% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  16.28 +/- 2.55   0.258% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  18.76 +/- 2.99   0.175% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  17.67 +/- 2.89   0.256% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  18.98 +/- 4.00   0.181% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.82 +/- 3.32   0.091% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 241.7:
          HG    LEU   63 - HN    LEU   63   3.46 +/- 0.60  87.007% * 99.5070% (1.00   7.61 241.73) =  99.976%  kept
          QG2   VAL   24 - HN    LEU   63  15.27 +/- 3.32   4.496% *  0.2569% (0.98   0.02   0.02) =   0.013%
          HG3   LYS+ 112 - HN    LEU   63  12.60 +/- 2.17   3.551% *  0.1903% (0.73   0.02   0.02) =   0.008%
          QG1   VAL  107 - HN    LEU   63   9.73 +/- 1.23   4.946% *  0.0459% (0.18   0.02   0.13) =   0.003%
    Distance limit 3.37 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 = 241.7:
      O   HB3   LEU   63 - HN    LEU   63   3.30 +/- 0.26  65.061% * 99.7743% (0.97  10.0   7.61 241.73) =  99.978%  kept
          QG1   VAL   70 - HN    LEU   63   6.66 +/- 1.88  19.680% *  0.0425% (0.41   1.0   0.02   0.02) =   0.013%
          QG1   VAL   18 - HN    LEU   63   9.38 +/- 3.91   5.896% *  0.0544% (0.53   1.0   0.02   0.02) =   0.005%
          QD1   LEU  123 - HN    LEU   63   8.33 +/- 1.68   6.188% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QG1   VAL  108 - HN    LEU   63  14.54 +/- 1.37   0.862% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LEU   63  11.16 +/- 1.50   2.312% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 0.866, support = 7.22, residual support = 240.0:
          QD2   LEU   63 - HN    LEU   63   3.59 +/- 0.83  41.899% * 47.4346% (0.84   7.44 241.73) =  50.558%  kept
          QD1   LEU   63 - HN    LEU   63   3.72 +/- 0.45  39.440% * 48.5643% (0.90   7.09 241.73) =  48.725%  kept
          QD1   LEU   73 - HN    LEU   63  10.40 +/- 2.62   7.443% *  3.6976% (0.90   0.54   0.13) =   0.700%  kept
          QD2   LEU  115 - HN    LEU   63   7.77 +/- 1.18   4.653% *  0.0865% (0.57   0.02   0.02) =   0.010%
          QG2   VAL   41 - HN    LEU   63  11.44 +/- 1.78   2.283% *  0.0425% (0.28   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   63  14.22 +/- 3.26   1.565% *  0.0471% (0.31   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    LEU   63  15.90 +/- 2.68   0.859% *  0.0804% (0.53   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    LEU   63  13.50 +/- 2.47   1.117% *  0.0236% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  16.36 +/- 2.94   0.741% *  0.0236% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.83, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.53 +/- 0.31  98.373% * 99.9341% (0.84  10.0   3.83  40.99) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  14.96 +/- 1.42   0.570% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  13.53 +/- 1.75   1.057% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 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   2.52 +/- 0.41  98.508% * 99.7231% (0.82  10.0   3.83  40.99) =  99.999%  kept
          HG3   MET   96 - HN    ASP-  62  15.86 +/- 1.75   0.647% *  0.0973% (0.80   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  62  22.72 +/- 3.39   0.372% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  21.96 +/- 3.25   0.242% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  22.76 +/- 4.10   0.232% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.338, support = 0.805, residual support = 0.701:
          QB    LYS+  66 - HN    ASP-  62   6.93 +/- 1.71  32.048% * 69.7950% (0.32   0.86   0.75) =  93.504%  kept
          HG    LEU  123 - HN    ASP-  62  11.54 +/- 1.40   7.775% *  4.0908% (0.82   0.02   0.02) =   1.330%  kept
          HG2   ARG+  54 - HN    ASP-  62  10.42 +/- 1.95  12.870% *  2.4483% (0.49   0.02   0.02) =   1.317%  kept
          HG3   PRO   68 - HN    ASP-  62  12.23 +/- 2.23   6.525% *  2.7975% (0.56   0.02   0.02) =   0.763%  kept
          HB    VAL   41 - HN    ASP-  62  14.67 +/- 2.31   6.093% *  2.4483% (0.49   0.02   0.02) =   0.624%  kept
          HB3   PRO   52 - HN    ASP-  62  14.65 +/- 1.22   3.615% *  4.0908% (0.82   0.02   0.02) =   0.618%  kept
          HG2   PRO   93 - HN    ASP-  62  10.83 +/- 2.51  12.966% *  0.7573% (0.15   0.02   0.02) =   0.410%  kept
          HB3   ASP- 105 - HN    ASP-  62  16.08 +/- 2.35   3.831% *  2.2752% (0.45   0.02   0.02) =   0.364%  kept
          HG12  ILE  103 - HN    ASP-  62  18.39 +/- 2.19   2.283% *  3.1402% (0.63   0.02   0.02) =   0.300%  kept
          QB    LYS+  33 - HN    ASP-  62  18.34 +/- 2.99   3.185% *  1.7778% (0.35   0.02   0.02) =   0.237%  kept
          QB    LYS+ 106 - HN    ASP-  62  15.07 +/- 1.49   4.163% *  1.0783% (0.21   0.02   0.02) =   0.188%  kept
          HB    ILE  103 - HN    ASP-  62  20.23 +/- 1.88   1.622% *  2.6229% (0.52   0.02   0.02) =   0.178%  kept
          QB    LYS+  81 - HN    ASP-  62  19.66 +/- 2.69   1.687% *  1.2024% (0.24   0.02   0.02) =   0.085%
          HB3   GLN   90 - HN    ASP-  62  20.04 +/- 2.05   1.338% *  1.4751% (0.29   0.02   0.02) =   0.082%
    Distance limit 4.42 A violated in 12 structures by 1.78 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.792, support = 2.76, residual support = 8.09:
          QB    ALA   61 - HN    ASP-  62   2.73 +/- 0.30  81.686% * 77.5475% (0.80   2.79   8.20) =  98.557%  kept
          QG    LYS+  66 - HN    ASP-  62   7.70 +/- 1.44   5.427% * 13.7054% (0.52   0.75   0.75) =   1.157%  kept
          HB3   LEU   67 - HN    ASP-  62   9.07 +/- 1.63   2.795% *  5.3378% (0.69   0.22   0.02) =   0.232%  kept
          HG    LEU   73 - HN    ASP-  62  12.46 +/- 3.37   4.463% *  0.2477% (0.35   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    ASP-  62  12.47 +/- 2.21   1.300% *  0.6026% (0.86   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    ASP-  62  15.13 +/- 2.91   0.701% *  0.5972% (0.85   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HN    ASP-  62  11.82 +/- 1.98   1.424% *  0.2933% (0.42   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ASP-  62  14.52 +/- 2.37   0.823% *  0.3170% (0.45   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ASP-  62  19.43 +/- 3.43   0.393% *  0.6012% (0.86   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ASP-  62  18.97 +/- 2.50   0.340% *  0.4139% (0.59   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ASP-  62  15.96 +/- 2.32   0.499% *  0.1503% (0.21   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  24.18 +/- 3.15   0.149% *  0.1860% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.833, support = 2.43, residual support = 4.67:
          QB    LYS+  65 - HN    LEU   63   4.73 +/- 0.47  44.638% * 49.0041% (0.76   2.69   3.59) =  61.347%  kept
          QB    LYS+  66 - HN    LEU   63   5.87 +/- 1.19  29.746% * 45.7332% (0.95   2.03   6.48) =  38.152%  kept
          HB2   LEU   71 - HN    LEU   63  12.44 +/- 1.40   3.293% *  3.2236% (0.73   0.19   0.02) =   0.298%  kept
          HG2   PRO   93 - HN    LEU   63  11.52 +/- 2.59   8.373% *  0.4723% (0.99   0.02   0.02) =   0.111%  kept
          HB    VAL   41 - HN    LEU   63  13.05 +/- 2.09   3.333% *  0.3815% (0.80   0.02   0.02) =   0.036%
          HG    LEU  123 - HN    LEU   63  11.03 +/- 2.21   5.001% *  0.1788% (0.38   0.02   0.02) =   0.025%
          HG12  ILE  103 - HN    LEU   63  17.08 +/- 2.54   1.098% *  0.3082% (0.65   0.02   0.02) =   0.009%
          QB    LYS+ 102 - HN    LEU   63  19.29 +/- 2.70   0.740% *  0.4133% (0.87   0.02   0.02) =   0.009%
          HB3   GLN   17 - HN    LEU   63  14.27 +/- 2.99   2.509% *  0.1061% (0.22   0.02   0.02) =   0.007%
          HB3   PRO   52 - HN    LEU   63  16.02 +/- 1.27   1.269% *  0.1788% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.99, residual support = 41.6:
      O   HA    PHE   60 - HN    ALA   61   3.62 +/- 0.03  64.470% * 99.3945% (0.69  10.0   5.00  41.63) =  99.946%  kept
          QB    SER   48 - HN    ALA   61  12.70 +/- 4.99  21.670% *  0.0819% (0.57   1.0   0.02   0.02) =   0.028%
          QB    SER  117 - HN    ALA   61  12.34 +/- 2.08   7.226% *  0.1434% (0.99   1.0   0.02   0.02) =   0.016%
          HB    THR   94 - HN    ALA   61  11.31 +/- 1.27   2.507% *  0.0994% (0.69   1.0   0.02   0.02) =   0.004%
          HA2   GLY   51 - HN    ALA   61  13.22 +/- 1.84   1.463% *  0.1209% (0.84   1.0   0.02   0.02) =   0.003%
          HA    LYS+ 121 - HN    ALA   61  15.42 +/- 1.74   1.048% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.28 +/- 1.28   1.617% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 2.75, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.77 +/- 0.05  85.880% * 94.6193% (0.95  10.0   2.76  17.92) =  99.298%  kept
          HD3   PRO   58 - HN    ALA   61   5.84 +/- 0.80  10.887% *  5.2630% (0.65   1.0   1.63   0.81) =   0.700%  kept
          HD2   PRO   68 - HN    ALA   61  12.09 +/- 1.51   1.191% *  0.0801% (0.80   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA   61  11.20 +/- 1.90   2.042% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.87, residual support = 41.5:
          HB2   PHE   60 - HN    ALA   61   3.15 +/- 0.56  86.945% * 96.7041% (0.84   4.89  41.63) =  99.572%  kept
          HB    THR   46 - HN    ALA   61   8.75 +/- 3.31  12.501% *  2.8710% (0.20   0.61   0.27) =   0.425%  kept
          HB2   TRP   87 - HN    ALA   61  20.16 +/- 4.05   0.554% *  0.4250% (0.90   0.02   0.02) =   0.003%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.99, residual support = 41.6:
          HB3   PHE   60 - HN    ALA   61   3.33 +/- 0.68  93.236% * 99.1918% (0.98   5.00  41.63) =  99.986%  kept
          QE    LYS+ 106 - HN    ALA   61  16.05 +/- 1.62   1.351% *  0.3514% (0.87   0.02   0.02) =   0.005%
          HB3   TRP   27 - HN    ALA   61  15.28 +/- 2.52   2.844% *  0.1521% (0.38   0.02   0.02) =   0.005%
          HB2   PHE   97 - HN    ALA   61  14.77 +/- 2.25   1.981% *  0.1666% (0.41   0.02   0.02) =   0.004%
          HB2   ASN   35 - HN    ALA   61  21.46 +/- 3.83   0.588% *  0.1382% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.04 +/- 0.09  89.222% * 99.0576% (0.73  10.0   4.01  17.92) =  99.988%  kept
          HG    LEU   73 - HN    ALA   61  11.65 +/- 3.55   2.266% *  0.1352% (0.99   1.0   0.02   0.16) =   0.003%
          HG    LEU   40 - HN    ALA   61  12.49 +/- 2.76   2.911% *  0.0827% (0.61   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ALA   61   9.52 +/- 1.23   1.093% *  0.1337% (0.98   1.0   0.02   0.02) =   0.002%
          HB3   LEU  115 - HN    ALA   61   8.71 +/- 1.48   1.443% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA   61  10.02 +/- 1.67   0.956% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ALA   61  11.49 +/- 2.49   0.772% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.68 +/- 1.45   0.740% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ALA   61  15.28 +/- 3.28   0.355% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  17.99 +/- 3.00   0.175% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.62 +/- 2.83   0.066% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 6.07, residual support = 39.8:
          HD3   PRO   58 - HN    PHE   59   2.77 +/- 0.63  90.376% * 95.5220% (0.76   6.09  39.90) =  99.638%  kept
          HA    ALA   61 - HN    PHE   59   6.95 +/- 0.39   7.543% *  4.1058% (0.26   0.75   0.52) =   0.357%  kept
          HA    VAL   75 - HN    PHE   59  14.78 +/- 1.79   0.910% *  0.3089% (0.74   0.02   0.02) =   0.003%
          HD2   PRO   68 - HN    PHE   59  13.60 +/- 2.75   1.170% *  0.0633% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.35, residual support = 57.8:
      O   HB2   PHE   59 - HN    PHE   59   2.64 +/- 0.48  85.482% * 97.3523% (0.76  10.0   4.36  57.85) =  99.827%  kept
          QB    PHE   55 - HN    PHE   59   7.26 +/- 0.73   5.892% *  2.3473% (0.73   1.0   0.51   0.02) =   0.166%  kept
          HB3   CYS   53 - HN    PHE   59   9.75 +/- 1.19   2.901% *  0.0675% (0.53   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    PHE   59  11.24 +/- 1.88   2.053% *  0.0852% (0.67   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    PHE   59   9.77 +/- 1.38   2.461% *  0.0596% (0.47   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    PHE   59  13.31 +/- 2.78   1.210% *  0.0881% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.97, residual support = 57.9:
      O   HB3   PHE   59 - HN    PHE   59   2.33 +/- 0.32  97.392% * 99.9594% (0.67  10.0   4.97  57.85) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.76 +/- 1.55   2.293% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  16.82 +/- 2.26   0.315% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 39.7:
      O   HB2   PRO   58 - HN    PHE   59   3.77 +/- 0.62  79.439% * 96.9473% (0.19  10.0   6.57  39.90) =  99.571%  kept
          HB2   GLN  116 - HN    PHE   59   7.94 +/- 1.38  16.688% *  1.9262% (0.64   1.0   0.12   0.50) =   0.416%  kept
          HB3   PHE   97 - HN    PHE   59  14.67 +/- 2.47   1.795% *  0.2671% (0.53   1.0   0.02   0.02) =   0.006%
          QG    GLU-  79 - HN    PHE   59  18.64 +/- 1.70   0.890% *  0.3113% (0.62   1.0   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    PHE   59  22.52 +/- 3.89   0.850% *  0.1892% (0.38   1.0   0.02   0.02) =   0.002%
          HB2   GLU- 100 - HN    PHE   59  24.70 +/- 2.67   0.339% *  0.3589% (0.71   1.0   0.02   0.02) =   0.002%
    Distance limit 4.43 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   3.09 +/- 0.47  86.775% * 98.7261% (0.76   6.29  39.90) =  99.982%  kept
          HB2   PRO   93 - HN    PHE   59   9.12 +/- 2.16   4.926% *  0.1317% (0.32   0.02   0.02) =   0.008%
          HG3   PRO   52 - HN    PHE   59  13.81 +/- 0.85   1.087% *  0.3139% (0.76   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    PHE   59   9.21 +/- 0.73   4.722% *  0.0561% (0.14   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HN    PHE   59  23.63 +/- 2.73   0.265% *  0.3196% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  16.13 +/- 2.48   0.861% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    PHE   59  29.74 +/- 5.59   0.232% *  0.3203% (0.77   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   59  14.52 +/- 1.35   1.133% *  0.0433% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.19 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 = 0.687, support = 6.24, residual support = 39.7:
      O   HB3   PRO   58 - HN    PHE   59   3.93 +/- 0.38  64.665% * 97.6194% (0.69  10.0   6.29  39.90) =  99.027%  kept
          HB    ILE   56 - HN    PHE   59   5.45 +/- 0.90  30.338% *  2.0356% (0.19   1.0   1.50  20.27) =   0.969%  kept
          HB2   MET   92 - HN    PHE   59  13.93 +/- 1.62   1.598% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    PHE   59  19.58 +/- 2.90   0.745% *  0.0616% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    PHE   59  14.43 +/- 1.32   1.498% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    PHE   59  30.20 +/- 6.11   0.304% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  23.15 +/- 3.06   0.366% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  22.29 +/- 3.22   0.486% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.09 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.3:
          QG1   ILE   56 - HN    PHE   59   3.93 +/- 0.45  81.591% * 97.7315% (0.67   4.26  20.27) =  99.943%  kept
          HB2   LEU   73 - HN    PHE   59  14.78 +/- 3.63   4.200% *  0.3206% (0.47   0.02   0.02) =   0.017%
          HB3   MET   92 - HN    PHE   59  12.69 +/- 1.87   3.635% *  0.2370% (0.35   0.02   0.02) =   0.011%
          QD    LYS+ 106 - HN    PHE   59  15.18 +/- 1.40   1.692% *  0.4233% (0.62   0.02   0.02) =   0.009%
          QD    LYS+  99 - HN    PHE   59  19.03 +/- 2.44   0.931% *  0.4415% (0.64   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    PHE   59  14.34 +/- 1.96   2.047% *  0.1803% (0.26   0.02   0.02) =   0.005%
          HB2   LEU  123 - HN    PHE   59  11.59 +/- 1.63   4.217% *  0.0816% (0.12   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    PHE   59  20.26 +/- 2.94   0.792% *  0.4040% (0.59   0.02   0.02) =   0.004%
          HB    ILE   89 - HN    PHE   59  18.48 +/- 1.56   0.894% *  0.1803% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.533, support = 0.02, residual support = 0.586:
          HA    ALA   61 - HN    ALA   57   8.54 +/- 1.16  69.557% * 14.7090% (0.34   0.02   1.08) =  53.348%  kept
          HA    VAL   24 - HN    ALA   57  21.24 +/- 3.95  11.326% * 41.6148% (0.97   0.02   0.02) =  24.576%  kept
          HD2   PRO   68 - HN    ALA   57  16.52 +/- 2.52  13.023% * 22.6869% (0.53   0.02   0.02) =  15.406%  kept
          HA    LYS+  38 - HN    ALA   57  24.13 +/- 3.19   6.094% * 20.9893% (0.49   0.02   0.02) =   6.670%  kept
    Distance limit 3.62 A violated in 20 structures by 4.80 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.403, support = 0.215, residual support = 0.558:
          HD2   ARG+  54 - HN    ALA   57   6.33 +/- 1.11  40.993% * 86.9560% (0.41   0.23   0.60) =  91.943%  kept
          HB3   CYS   53 - HN    ALA   57   6.75 +/- 1.30  38.332% *  6.2305% (0.34   0.02   0.02) =   6.160%  kept
          HD3   PRO   93 - HN    ALA   57   9.49 +/- 2.57  17.854% *  3.6147% (0.20   0.02   0.02) =   1.665%  kept
          HD3   PRO   68 - HN    ALA   57  16.24 +/- 2.33   2.821% *  3.1988% (0.18   0.02   0.02) =   0.233%  kept
    Distance limit 4.62 A violated in 1 structures by 0.76 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 = 0.643, support = 4.65, residual support = 27.7:
          HB3   PRO   58 - HN    ALA   57   5.68 +/- 0.63  31.949% * 73.0632% (0.90   4.21  25.53) =  60.825%  kept
          HB    ILE   56 - HN    ALA   57   4.54 +/- 0.17  58.385% * 25.7116% (0.25   5.33  31.07) =  39.116%  kept
          HB2   MET   92 - HN    ALA   57  12.19 +/- 2.33   6.014% *  0.2807% (0.73   0.02   0.02) =   0.044%
          HB3   MET   96 - HN    ALA   57  15.53 +/- 1.77   1.754% *  0.0964% (0.25   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    ALA   57  21.73 +/- 2.75   0.688% *  0.2189% (0.57   0.02   0.02) =   0.004%
          HB3   GLU-  14 - HN    ALA   57  25.89 +/- 3.68   0.539% *  0.2034% (0.53   0.02   0.02) =   0.003%
          HG3   MET   11 - HN    ALA   57  32.68 +/- 6.37   0.261% *  0.2807% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    ALA   57  25.22 +/- 3.04   0.412% *  0.1451% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.08 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.85, residual support = 24.1:
      O   QB    ALA   57 - HN    ALA   57   2.24 +/- 0.34  96.672% * 99.4737% (0.92  10.0   4.85  24.13) =  99.998%  kept
          HD3   LYS+ 111 - HN    ALA   57  14.71 +/- 1.70   0.578% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          QD    LYS+  65 - HN    ALA   57  11.53 +/- 2.28   1.047% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA   57  14.37 +/- 2.50   0.467% *  0.1068% (0.99   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  15.65 +/- 2.20   0.397% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  15.45 +/- 1.64   0.360% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.42 +/- 3.26   0.149% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.36 +/- 2.05   0.202% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.02 +/- 3.27   0.128% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.22, residual support = 31.1:
          QG2   ILE   56 - HN    ALA   57   3.62 +/- 0.30  86.750% * 97.4321% (0.87   5.22  31.07) =  99.954%  kept
          QB    ALA   91 - HN    ALA   57  11.34 +/- 1.73   3.985% *  0.4150% (0.97   0.02   0.02) =   0.020%
          QG2   THR   39 - HN    ALA   57  18.89 +/- 2.12   1.134% *  0.4150% (0.97   0.02   0.02) =   0.006%
          HG2   LYS+  74 - HN    ALA   57  14.30 +/- 2.65   2.254% *  0.1928% (0.45   0.02   0.02) =   0.005%
          HG    LEU   71 - HN    ALA   57  19.27 +/- 3.30   2.267% *  0.1768% (0.41   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    ALA   57  18.09 +/- 2.10   0.947% *  0.2954% (0.69   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    ALA   57  20.92 +/- 3.02   0.673% *  0.2954% (0.69   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ALA   57  20.16 +/- 4.02   1.259% *  0.1467% (0.34   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ALA   57  26.15 +/- 3.39   0.365% *  0.4215% (0.98   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ALA   57  23.99 +/- 2.69   0.366% *  0.2093% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.61, residual support = 59.0:
      O   HB2   ASN   69 - HD21  ASN   69   3.05 +/- 0.56  92.451% * 99.6854% (0.36  10.0   3.61  58.99) =  99.992%  kept
          QE    LYS+  66 - HD21  ASN   69  11.61 +/- 2.22   3.303% *  0.1287% (0.47   1.0   0.02   0.02) =   0.005%
          HB3   ASN   35 - HD21  ASN   69  15.29 +/- 4.63   3.395% *  0.0811% (0.30   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HD21  ASN   69  19.87 +/- 3.13   0.539% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  23.27 +/- 3.25   0.312% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.305, support = 3.78, residual support = 22.0:
          QG1   VAL   70 - HD21  ASN   69   4.06 +/- 1.19  43.408% * 80.4715% (0.32   4.12  24.51) =  89.880%  kept
          QD1   LEU   71 - HD21  ASN   69   6.79 +/- 1.83  25.488% *  9.0868% (0.19   0.77   0.02) =   5.959%  kept
          QD1   LEU  123 - HD21  ASN   69  11.49 +/- 5.67  17.341% *  8.8306% (0.19   0.75   0.02) =   3.940%  kept
          HB3   LEU   63 - HD21  ASN   69   9.95 +/- 3.13   9.546% *  0.6903% (0.56   0.02   0.02) =   0.170%  kept
          QG1   VAL   18 - HD21  ASN   69  11.53 +/- 4.48   3.794% *  0.4742% (0.39   0.02   0.02) =   0.046%
          QG1   VAL  108 - HD21  ASN   69  19.88 +/- 3.08   0.424% *  0.4466% (0.36   0.02   0.02) =   0.005%
    Distance limit 4.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.42, support = 0.02, residual support = 0.02:
          HA    LEU  123 - HD21  ASN   69  13.50 +/- 7.72  23.880% * 14.3693% (0.39   0.02   0.02) =  27.097%  kept
          HA    ASN   35 - HD21  ASN   69  13.29 +/- 4.29  18.955% * 17.4728% (0.47   0.02   0.02) =  26.154%  kept
          HA    LYS+  99 - HD21  ASN   69  14.63 +/- 6.51  11.738% * 19.7883% (0.53   0.02   0.02) =  18.343%  kept
          HA    ILE   56 - HD21  ASN   69  18.88 +/- 3.81   8.422% * 16.7505% (0.45   0.02   0.02) =  11.140%  kept
          HA    PHE   59 - HD21  ASN   69  14.40 +/- 3.43  11.659% *  8.6000% (0.23   0.02   0.02) =   7.918%  kept
          HA    LEU   40 - HD21  ASN   69   9.60 +/- 2.51  22.661% *  2.8311% (0.08   0.02   0.02) =   5.066%  kept
          HA    ASP- 113 - HD21  ASN   69  21.37 +/- 4.25   2.686% * 20.1881% (0.54   0.02   0.02) =   4.282%  kept
    Distance limit 4.96 A violated in 10 structures by 2.10 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 = 4.1, residual support = 19.4:
          QB    PHE   55 - HN    ILE   56   2.78 +/- 0.43  67.466% * 68.9527% (0.97   4.29  20.17) =  94.776%  kept
          HB3   CYS   53 - HN    ILE   56   5.64 +/- 0.46   9.801% * 12.0635% (0.97   0.75   0.02) =   2.409%  kept
          HD2   ARG+  54 - HN    ILE   56   6.73 +/- 0.95   7.930% *  8.6867% (0.92   0.56   0.02) =   1.403%  kept
          HB2   PHE   59 - HN    ILE   56   6.92 +/- 0.96   7.041% *  9.5530% (0.76   0.75  20.27) =   1.370%  kept
          HD3   PRO   93 - HN    ILE   56   8.47 +/- 3.22   5.620% *  0.3326% (1.00   0.02   0.02) =   0.038%
          HD3   PRO   68 - HN    ILE   56  17.32 +/- 2.03   0.343% *  0.3304% (0.99   0.02   0.02) =   0.002%
          HD3   PRO   93 - HZ2   TRP   87  15.85 +/- 2.83   0.569% *  0.0144% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.03 +/- 3.20   0.400% *  0.0140% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.62 +/- 3.31   0.306% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  26.17 +/- 5.47   0.159% *  0.0143% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  24.15 +/- 3.77   0.166% *  0.0134% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  22.38 +/- 4.16   0.200% *  0.0111% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.866, support = 5.88, residual support = 121.6:
      O   HB    ILE   56 - HN    ILE   56   3.13 +/- 0.45  60.388% * 94.5182% (0.87  10.0   5.90 122.27) =  99.454%  kept
          HB3   PRO   58 - HN    ILE   56   7.49 +/- 0.71   5.161% *  4.3626% (0.80   1.0   1.00   0.02) =   0.392%  kept
          HG2   ARG+  54 - HN    ILE   56   5.58 +/- 0.94  15.544% *  0.5387% (0.18   1.0   0.56   0.02) =   0.146%  kept
          HB2   MET   92 - HN    ILE   56  11.03 +/- 2.50   2.470% *  0.1031% (0.95   1.0   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    ILE   56  13.99 +/- 2.29   1.292% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  22.62 +/- 2.43   0.234% *  0.1087% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  15.65 +/- 2.43   0.628% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.00 +/- 2.91   0.994% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  19.15 +/- 3.62   0.471% *  0.0448% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  25.93 +/- 3.14   0.121% *  0.1052% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  22.20 +/- 8.87   1.311% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  23.94 +/- 2.52   0.169% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  14.82 +/- 3.69   1.119% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  18.87 +/- 2.60   0.339% *  0.0147% (0.14   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.13 +/- 2.57   0.273% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  14.76 +/- 6.22   1.699% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.95 +/- 1.44   1.350% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  26.44 +/- 8.84   0.425% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  18.05 +/- 9.20   2.627% *  0.0007% (0.01   1.0   0.02   3.29) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  20.42 +/- 3.42   0.313% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.05 +/- 6.28   0.070% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.73 +/- 0.79   0.680% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  20.03 +/- 7.82   1.055% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  23.95 +/- 7.69   0.564% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  25.10 +/- 3.72   0.164% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.79 +/- 3.46   0.289% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  27.75 +/- 5.71   0.141% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  38.30 +/- 9.48   0.107% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.24, residual support = 122.2:
          QG1   ILE   56 - HN    ILE   56   3.86 +/- 0.34  64.897% * 98.0530% (0.87   5.24 122.27) =  99.944%  kept
          HB3   MET   92 - HN    ILE   56  10.00 +/- 2.75   7.855% *  0.1933% (0.45   0.02   0.02) =   0.024%
          QD    LYS+ 106 - HN    ILE   56  15.19 +/- 2.01   1.463% *  0.3453% (0.80   0.02   0.02) =   0.008%
          HB2   LEU   73 - HN    ILE   56  17.02 +/- 3.98   1.437% *  0.2615% (0.61   0.02   0.02) =   0.006%
          HD2   LYS+ 111 - HN    ILE   56  13.22 +/- 1.99   1.986% *  0.1471% (0.34   0.02   1.93) =   0.005%
          QD    LYS+  99 - HN    ILE   56  21.48 +/- 2.72   0.638% *  0.3602% (0.84   0.02   0.02) =   0.004%
          HB    ILE   89 - HN    ILE   56  15.64 +/- 2.11   1.350% *  0.1471% (0.34   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    ILE   56  22.76 +/- 2.90   0.524% *  0.3295% (0.76   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    ILE   56  15.99 +/- 2.19   1.138% *  0.0665% (0.15   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HZ2   TRP   87  14.86 +/- 6.30   3.533% *  0.0150% (0.03   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   9.38 +/- 1.14   5.553% *  0.0064% (0.01   0.02  19.66) =   0.001%
          QD    LYS+  99 - HZ2   TRP   87  21.31 +/- 8.01   1.651% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  14.90 +/- 3.86   2.664% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  19.31 +/- 6.04   1.945% *  0.0113% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  22.19 +/- 9.12   1.314% *  0.0143% (0.03   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  17.54 +/- 3.22   0.892% *  0.0162% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  21.27 +/- 5.34   0.972% *  0.0064% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  29.61 +/- 5.15   0.188% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.425, support = 0.445, residual support = 1.04:
          QB    ALA   61 - HN    ILE   56   7.22 +/- 1.33  15.883% * 26.6332% (0.38   0.51   1.41) =  34.445%  kept
          HG    LEU  115 - HN    ILE   56   8.04 +/- 2.09  14.295% * 20.4872% (0.38   0.39   0.02) =  23.848%  kept
          QB    ALA  110 - HN    ILE   56   7.75 +/- 2.45  16.456% * 17.5825% (0.20   0.64   2.34) =  23.560%  kept
          HB3   LEU  115 - HN    ILE   56   8.42 +/- 1.74  10.746% * 17.7614% (0.92   0.14   0.02) =  15.542%  kept
          HG    LEU   40 - HN    ILE   56  17.64 +/- 2.67   2.587% *  2.5524% (0.92   0.02   0.02) =   0.538%  kept
          HG    LEU   73 - HN    ILE   56  17.37 +/- 3.71   1.917% *  2.4797% (0.90   0.02   0.02) =   0.387%  kept
          HG    LEU   67 - HN    ILE   56  16.71 +/- 1.95   1.686% *  2.3095% (0.84   0.02   0.02) =   0.317%  kept
          QG    LYS+  66 - HN    ILE   56  14.37 +/- 1.32   1.775% *  2.0078% (0.73   0.02   0.02) =   0.290%  kept
          QB    ALA  120 - HN    ILE   56  12.98 +/- 1.33   3.007% *  1.0377% (0.38   0.02   0.02) =   0.254%  kept
          HB3   LEU   67 - HN    ILE   56  16.03 +/- 2.20   1.790% *  1.4547% (0.53   0.02   0.02) =   0.212%  kept
          HG    LEU   80 - HZ2   TRP   87  11.20 +/- 1.67   4.023% *  0.5395% (0.01   0.40   0.24) =   0.177%  kept
          HB3   LEU   40 - HN    ILE   56  19.14 +/- 2.86   2.892% *  0.5472% (0.20   0.02   0.02) =   0.129%  kept
          HG2   LYS+ 102 - HN    ILE   56  26.29 +/- 3.16   0.466% *  2.6684% (0.97   0.02   0.02) =   0.101%  kept
          HG    LEU   73 - HZ2   TRP   87  19.41 +/- 6.61   4.939% *  0.1076% (0.04   0.02   0.02) =   0.043%
          HG    LEU   80 - HN    ILE   56  20.22 +/- 3.24   0.793% *  0.6156% (0.22   0.02   0.02) =   0.040%
          HG12  ILE   19 - HN    ILE   56  21.56 +/- 3.06   0.794% *  0.4266% (0.15   0.02   0.02) =   0.028%
          HG2   LYS+ 102 - HZ2   TRP   87  22.02 +/- 9.57   2.552% *  0.1158% (0.04   0.02   0.02) =   0.024%
          HG    LEU   40 - HZ2   TRP   87  22.01 +/- 7.40   1.813% *  0.1108% (0.04   0.02   0.02) =   0.016%
          HG    LEU   67 - HZ2   TRP   87  23.37 +/- 6.22   1.069% *  0.1002% (0.04   0.02   0.02) =   0.009%
          QG    LYS+  66 - HZ2   TRP   87  23.13 +/- 4.93   1.158% *  0.0871% (0.03   0.02   0.02) =   0.008%
          HB3   LEU  115 - HZ2   TRP   87  20.87 +/- 4.58   0.883% *  0.1108% (0.04   0.02   0.02) =   0.008%
          QB    ALA  110 - HZ2   TRP   87  16.11 +/- 3.34   2.400% *  0.0237% (0.01   0.02   0.02) =   0.005%
          HB3   LEU   67 - HZ2   TRP   87  23.36 +/- 5.46   0.893% *  0.0631% (0.02   0.02   0.02) =   0.005%
          QB    ALA   61 - HZ2   TRP   87  18.14 +/- 3.25   1.128% *  0.0450% (0.02   0.02   0.02) =   0.004%
          HG    LEU  115 - HZ2   TRP   87  20.86 +/- 4.59   0.994% *  0.0450% (0.02   0.02   0.02) =   0.004%
          HB3   LEU   40 - HZ2   TRP   87  23.29 +/- 7.25   1.256% *  0.0237% (0.01   0.02   0.02) =   0.002%
          HG12  ILE   19 - HZ2   TRP   87  24.75 +/- 8.27   1.322% *  0.0185% (0.01   0.02   0.02) =   0.002%
          QB    ALA  120 - HZ2   TRP   87  23.98 +/- 4.53   0.482% *  0.0450% (0.02   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 5 structures by 0.98 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 122.3:
          QG2   ILE   56 - HN    ILE   56   2.20 +/- 0.48  90.330% * 98.4626% (1.00   6.69 122.27) =  99.989%  kept
          QB    ALA   91 - HN    ILE   56  10.44 +/- 2.13   2.320% *  0.2138% (0.73   0.02   0.02) =   0.006%
          QG2   THR   39 - HN    ILE   56  19.58 +/- 2.26   0.635% *  0.2138% (0.73   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    ILE   56  18.76 +/- 2.04   0.413% *  0.2786% (0.95   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   56  26.87 +/- 3.48   0.197% *  0.2786% (0.95   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ILE   56  20.96 +/- 3.55   0.253% *  0.1905% (0.65   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    ILE   56  20.30 +/- 3.15   0.883% *  0.0516% (0.18   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   56  22.10 +/- 2.91   0.255% *  0.1105% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  15.09 +/- 2.48   0.375% *  0.0583% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  19.21 +/- 7.26   0.867% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.14 +/- 2.68   0.132% *  0.0656% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.54 +/- 1.16   0.629% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  16.16 +/- 2.66   0.428% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  27.06 +/- 9.09   0.281% *  0.0121% (0.04   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  20.35 +/- 7.44   0.401% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  21.61 +/- 6.66   0.281% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  23.31 +/- 9.09   0.730% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  25.34 +/- 8.55   0.179% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  19.01 +/- 4.34   0.257% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  24.82 +/- 6.56   0.153% *  0.0022% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.907, support = 5.51, residual support = 77.5:
          HB3   CYS   53 - HN    ARG+  54   3.87 +/- 0.32  30.721% * 35.3275% (0.94   5.32  31.69) =  44.948%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.57 +/- 0.48  19.786% * 45.4494% (0.95   6.78 167.85) =  37.243%  kept
          QB    PHE   55 - HN    ARG+  54   4.25 +/- 0.15  23.140% * 18.3065% (0.76   3.41   4.27) =  17.544%  kept
          HB2   PHE   59 - HN    ASP-  62   5.68 +/- 0.55  11.164% *  0.4951% (0.09   0.75   6.32) =   0.229%  kept
          HD3   PRO   93 - HN    ARG+  54   8.97 +/- 2.85   4.390% *  0.1203% (0.85   0.02   0.02) =   0.022%
          HB2   PHE   59 - HN    ARG+  54  10.68 +/- 0.73   1.541% *  0.0706% (0.50   0.02   0.02) =   0.005%
          HD3   PRO   68 - HN    ASP-  62  10.31 +/- 1.95   2.451% *  0.0218% (0.15   0.02   0.02) =   0.002%
          HB3   CYS   53 - HN    ASP-  62  11.25 +/- 1.70   1.860% *  0.0249% (0.18   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    ASP-  62  11.45 +/- 1.90   1.488% *  0.0251% (0.18   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    ASP-  62  12.55 +/- 2.25   1.535% *  0.0225% (0.16   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    ARG+  54  19.24 +/- 2.38   0.291% *  0.1163% (0.82   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    ASP-  62  10.34 +/- 0.68   1.632% *  0.0201% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.82 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 = 6.54, residual support = 167.8:
      O   HB2   ARG+  54 - HN    ARG+  54   2.66 +/- 0.50  79.643% * 96.9633% (0.26  10.0   6.54 167.85) =  99.979%  kept
          QB    GLU-  15 - HN    ARG+  54  24.84 +/- 4.66   1.036% *  0.2532% (0.69   1.0   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    ARG+  54  14.37 +/- 1.16   0.644% *  0.2793% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ARG+  54  14.65 +/- 1.38   0.786% *  0.1974% (0.54   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    ARG+  54  15.14 +/- 3.77   1.063% *  0.1190% (0.32   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASP-  62   9.28 +/- 0.93   2.636% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ARG+  54  21.68 +/- 3.01   0.272% *  0.3457% (0.94   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  13.14 +/- 2.33   1.080% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  23.99 +/- 4.25   0.287% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  13.09 +/- 1.65   1.031% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  25.13 +/- 2.93   0.164% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASP-  62  17.56 +/- 3.20   0.741% *  0.0566% (0.15   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ARG+  54  27.34 +/- 4.06   0.213% *  0.1835% (0.50   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ASP-  62  15.18 +/- 2.19   0.748% *  0.0523% (0.14   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  15.37 +/- 3.14   0.773% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  17.18 +/- 2.50   0.720% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  24.03 +/- 2.32   0.172% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  11.19 +/- 1.36   1.666% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  16.76 +/- 2.63   0.816% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.45 +/- 1.89   1.812% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  29.12 +/- 3.19   0.076% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.31 +/- 2.02   1.440% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  20.91 +/- 2.78   0.266% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  22.64 +/- 2.84   0.177% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.60 +/- 1.47   0.471% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  22.46 +/- 3.77   0.301% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.84 +/- 2.12   0.804% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.41 +/- 3.07   0.162% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.91, support = 6.45, residual support = 160.5:
          HG2   ARG+  54 - HN    ARG+  54   3.19 +/- 0.45  57.823% * 80.8860% (0.94   6.60 167.85) =  95.576%  kept
          HB3   PRO   52 - HN    ARG+  54   5.37 +/- 0.34  14.359% * 13.3701% (0.29   3.51   1.91) =   3.923%  kept
          HB    ILE   56 - HN    ARG+  54   7.17 +/- 0.91   6.655% *  3.4412% (0.46   0.57   0.02) =   0.468%  kept
          QB    LYS+ 106 - HN    ARG+  54  15.69 +/- 3.77   1.493% *  0.2217% (0.85   0.02   0.02) =   0.007%
          HB3   GLN   90 - HN    ARG+  54  14.03 +/- 2.22   0.918% *  0.2385% (0.91   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ARG+  54  19.62 +/- 3.83   0.651% *  0.2466% (0.94   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ARG+  54  18.07 +/- 3.71   0.700% *  0.2282% (0.87   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    ASP-  62  10.42 +/- 1.95   3.079% *  0.0458% (0.18   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ASP-  62  12.23 +/- 2.23   2.084% *  0.0446% (0.17   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    ASP-  62   8.80 +/- 1.19   3.804% *  0.0225% (0.09   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ARG+  54  20.81 +/- 2.89   0.320% *  0.2385% (0.91   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ARG+  54  23.03 +/- 3.89   0.230% *  0.2423% (0.93   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ARG+  54  18.38 +/- 2.49   0.524% *  0.0763% (0.29   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  25.42 +/- 2.32   0.138% *  0.2450% (0.94   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  15.07 +/- 1.49   0.681% *  0.0415% (0.16   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASP-  62  16.08 +/- 2.35   0.601% *  0.0461% (0.18   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP-  62  18.34 +/- 2.99   0.573% *  0.0458% (0.18   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ASP-  62  11.54 +/- 1.40   1.661% *  0.0143% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  20.19 +/- 3.68   1.062% *  0.0158% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  19.66 +/- 2.69   0.337% *  0.0427% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  20.04 +/- 2.05   0.314% *  0.0446% (0.17   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.23 +/- 1.88   0.265% *  0.0453% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.65 +/- 1.22   0.747% *  0.0143% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  28.03 +/- 3.03   0.115% *  0.0843% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.96 +/- 2.52   0.181% *  0.0489% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  16.95 +/- 2.87   0.685% *  0.0092% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.18, support = 2.69, residual support = 7.89:
          QB    ALA   61 - HN    ASP-  62   2.73 +/- 0.30  72.691% * 48.7352% (0.16   2.79   8.20) =  96.155%  kept
          QB    ALA  110 - HN    ARG+  54   9.46 +/- 1.88   2.757% * 17.7225% (0.95   0.18   0.02) =   1.326%  kept
          QG    LYS+  66 - HN    ASP-  62   7.70 +/- 1.44   4.829% *  8.6133% (0.11   0.75   0.75) =   1.129%  kept
          QB    ALA   61 - HN    ARG+  54   8.27 +/- 2.13   5.210% *  7.1568% (0.87   0.08   0.02) =   1.012%  kept
          HB3   LEU   67 - HN    ASP-  62   9.07 +/- 1.63   2.483% *  3.3546% (0.14   0.22   0.02) =   0.226%  kept
          HG    LEU   73 - HN    ASP-  62  12.46 +/- 3.37   3.961% *  0.1557% (0.07   0.02   0.02) =   0.017%
          QG    LYS+  66 - HN    ARG+  54  15.66 +/- 2.16   0.502% *  1.2275% (0.57   0.02   0.02) =   0.017%
          HB3   LEU   67 - HN    ARG+  54  17.82 +/- 2.25   0.351% *  1.6206% (0.76   0.02   0.02) =   0.015%
          HG    LEU   80 - HN    ARG+  54  19.85 +/- 3.09   0.240% *  2.0194% (0.94   0.02   0.02) =   0.013%
          HG    LEU   73 - HN    ARG+  54  18.63 +/- 3.53   0.552% *  0.8320% (0.39   0.02   0.02) =   0.012%
          QB    ALA  110 - HN    ASP-  62  12.47 +/- 2.21   1.151% *  0.3787% (0.18   0.02   0.02) =   0.012%
          HB3   LYS+  74 - HN    ARG+  54  17.07 +/- 2.80   0.402% *  0.9851% (0.46   0.02   0.02) =   0.011%
          HB2   LEU   80 - HN    ARG+  54  19.15 +/- 2.67   0.279% *  1.3902% (0.65   0.02   0.02) =   0.011%
          HG12  ILE   19 - HN    ARG+  54  23.15 +/- 3.52   0.147% *  2.0060% (0.94   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HN    ARG+  54  20.49 +/- 2.59   0.235% *  1.0648% (0.50   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ASP-  62  15.13 +/- 2.91   0.625% *  0.3753% (0.18   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    ASP-  62  11.82 +/- 1.98   1.266% *  0.1843% (0.09   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ASP-  62  14.52 +/- 2.37   0.732% *  0.1992% (0.09   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ARG+  54  19.78 +/- 2.70   0.263% *  0.5047% (0.24   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ASP-  62  19.43 +/- 3.43   0.351% *  0.3778% (0.18   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ASP-  62  18.97 +/- 2.50   0.303% *  0.2601% (0.12   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  28.29 +/- 4.08   0.097% *  0.6247% (0.29   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ASP-  62  15.96 +/- 2.32   0.444% *  0.0944% (0.04   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  24.18 +/- 3.15   0.132% *  0.1169% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.465, support = 2.66, residual support = 10.7:
      O   HA2   GLY   51 - HN    GLY   51   2.58 +/- 0.28  48.885% * 83.6625% (0.49  10.0   2.21  10.20) =  85.059%  kept
          HD2   PRO   52 - HN    GLY   51   2.93 +/- 0.96  47.116% * 15.2376% (0.34   1.0   5.20  13.31) =  14.931%  kept
          QB    SER   48 - HN    GLY   51   7.20 +/- 0.88   2.079% *  0.1314% (0.76   1.0   0.02   0.02) =   0.006%
          HB    THR   94 - HN    GLY   51  13.09 +/- 2.47   0.561% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    GLY   51  17.18 +/- 3.42   0.286% *  0.1659% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    GLY   51  17.73 +/- 3.84   0.216% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    GLY   51  22.05 +/- 2.18   0.084% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  17.92 +/- 2.72   0.270% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  15.47 +/- 3.10   0.350% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  28.79 +/- 5.62   0.061% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  24.45 +/- 2.33   0.058% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.55 +/- 3.52   0.034% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 7.57:
      O   QB    CYS   50 - HN    CYS   50   2.70 +/- 0.31  94.795% * 99.6096% (0.69  10.0   1.50   7.57) =  99.992%  kept
          HB3   ASP-  78 - HN    CYS   50  12.90 +/- 5.25   3.171% *  0.1611% (0.84   1.0   0.02   0.02) =   0.005%
          QE    LYS+  74 - HN    CYS   50  12.86 +/- 3.33   1.589% *  0.1400% (0.73   1.0   0.02   0.02) =   0.002%
          HB3   ASN   69 - HN    CYS   50  23.87 +/- 4.07   0.249% *  0.0595% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  22.09 +/- 1.89   0.196% *  0.0298% (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 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 1.95, residual support = 6.96:
          QB    ALA   47 - HN    CYS   50   2.74 +/- 0.66  95.478% * 97.6098% (0.57   1.95   6.96) =  99.955%  kept
          QB    ALA   64 - HN    CYS   50  13.04 +/- 2.59   2.238% *  1.2860% (0.73   0.02   0.02) =   0.031%
          QG1   VAL   42 - HN    CYS   50  13.51 +/- 1.19   1.282% *  0.7940% (0.45   0.02   0.02) =   0.011%
          HG2   LYS+ 112 - HN    CYS   50  15.25 +/- 2.93   1.002% *  0.3102% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.295, support = 3.47, residual support = 14.5:
      O   HA    SER   48 - HN    TRP   49   3.47 +/- 0.05  36.254% * 70.3060% (0.22  10.0   3.26  14.47) =  67.794%  kept
          QB    SER   48 - HN    TRP   49   3.27 +/- 0.25  43.413% * 27.8131% (0.45   1.0   3.93  14.47) =  32.115%  kept
          HD2   PRO   52 - HN    TRP   49   6.12 +/- 1.01   8.502% *  0.2043% (0.65   1.0   0.02   2.99) =   0.046%
          HA    LYS+  65 - HN    TRP   49  17.58 +/- 5.86   1.491% *  0.3130% (0.99   1.0   0.02   0.02) =   0.012%
          HA    ALA   88 - HN    TRP   49  13.17 +/- 3.85   3.331% *  0.1298% (0.41   1.0   0.02   0.02) =   0.012%
          HA2   GLY   51 - HN    TRP   49   7.26 +/- 0.80   4.496% *  0.0703% (0.22   1.0   0.02   0.02) =   0.008%
          QB    SER   85 - HN    TRP   49  15.09 +/- 3.22   0.794% *  0.3048% (0.97   1.0   0.02   0.02) =   0.006%
          HB    THR   94 - HN    TRP   49  12.08 +/- 2.01   1.289% *  0.1077% (0.34   1.0   0.02   0.02) =   0.004%
          HA2   GLY   16 - HN    TRP   49  28.28 +/- 7.23   0.117% *  0.3048% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    TRP   49  23.77 +/- 2.46   0.129% *  0.2169% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    TRP   49  28.06 +/- 3.37   0.085% *  0.1416% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  25.73 +/- 2.35   0.099% *  0.0878% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.11, residual support = 86.0:
      O   HB3   TRP   49 - HN    TRP   49   3.08 +/- 0.20  98.851% * 99.8958% (0.80  10.0   4.11  86.03) =  99.999%  kept
          HB3   PHE   59 - HN    TRP   49  14.85 +/- 2.00   1.149% *  0.1042% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.401, support = 2.45, residual support = 9.16:
      O   QB    SER   48 - HN    SER   48   2.26 +/- 0.18  57.867% * 66.2308% (0.45  10.0   2.41   9.17) =  78.917%  kept
      O   HA    SER   48 - HN    SER   48   2.80 +/- 0.05  31.106% * 32.8893% (0.22  10.0   2.61   9.17) =  21.066%  kept
          HA    ALA   88 - HN    SER   48  12.02 +/- 4.24   5.624% *  0.0607% (0.41   1.0   0.02   0.02) =   0.007%
          HD2   PRO   52 - HN    SER   48   7.63 +/- 1.16   1.912% *  0.0956% (0.65   1.0   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    SER   48  17.07 +/- 6.26   1.118% *  0.1464% (0.99   1.0   0.02   0.02) =   0.003%
          QB    SER   85 - HN    SER   48  14.01 +/- 3.12   0.384% *  0.1426% (0.97   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  10.82 +/- 1.61   0.716% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.04 +/- 0.95   1.046% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER   48  27.49 +/- 7.58   0.061% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  23.58 +/- 3.06   0.072% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.76 +/- 3.28   0.043% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  25.34 +/- 2.82   0.050% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.26:
          QB    ALA   47 - HN    SER   48   3.01 +/- 0.35  89.652% * 99.1193% (0.90   4.08   6.26) =  99.971%  kept
          QB    ALA   64 - HN    SER   48  12.73 +/- 4.02   7.273% *  0.2035% (0.38   0.02   0.02) =   0.017%
          QG1   VAL   42 - HN    SER   48  12.92 +/- 1.45   1.779% *  0.4341% (0.80   0.02   0.02) =   0.009%
          HG2   LYS+ 112 - HN    SER   48  16.54 +/- 3.72   1.296% *  0.2431% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.81, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.62 +/- 2.28  61.750% * 52.2208% (0.84   0.02   0.02) =  63.827%  kept
          HB2   TRP   87 - HN    ALA   47  13.45 +/- 3.69  38.250% * 47.7792% (0.76   0.02   0.02) =  36.173%  kept
    Distance limit 4.30 A violated in 18 structures by 4.53 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.45, residual support = 6.64:
          QB    CYS   50 - HN    ALA   47   3.87 +/- 0.73  67.605% * 74.1955% (0.97   1.50   6.96) =  95.309%  kept
          QE    LYS+  74 - HN    ALA   47  10.54 +/- 2.95   9.655% * 24.4142% (0.98   0.49   0.02) =   4.479%  kept
          HB3   ASP-  78 - HN    ALA   47  11.02 +/- 4.29  20.460% *  0.4990% (0.49   0.02   0.49) =   0.194%  kept
          HB3   ASN   69 - HN    ALA   47  21.70 +/- 3.71   1.051% *  0.6631% (0.65   0.02   0.02) =   0.013%
          HB2   PHE   72 - HN    ALA   47  15.89 +/- 1.89   1.229% *  0.2282% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.05 A violated in 0 structures by 0.11 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 11.6:
          QG2   THR   46 - HN    ALA   47   3.58 +/- 0.53  89.994% * 97.5684% (0.97   3.20  11.64) =  99.944%  kept
          QG1   VAL   43 - HN    ALA   47  11.24 +/- 1.37   3.656% *  0.4337% (0.69   0.02   0.02) =   0.018%
          QG2   VAL   18 - HN    ALA   47  16.02 +/- 5.52   2.126% *  0.5662% (0.90   0.02   0.02) =   0.014%
          QD1   ILE   19 - HN    ALA   47  18.26 +/- 3.27   1.849% *  0.5972% (0.95   0.02   0.02) =   0.013%
          QD2   LEU  104 - HN    ALA   47  17.38 +/- 2.83   1.256% *  0.5273% (0.84   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    ALA   47  16.50 +/- 1.17   1.119% *  0.3073% (0.49   0.02   0.02) =   0.004%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.32, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.31 +/- 0.14  96.280% * 99.7622% (0.57  10.0   2.32  10.81) =  99.997%  kept
          QB    ALA   64 - HN    ALA   47  10.83 +/- 2.47   1.715% *  0.1280% (0.73   1.0   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    ALA   47  10.75 +/- 0.82   1.110% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    ALA   47  13.80 +/- 2.87   0.895% *  0.0309% (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 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.23, residual support = 34.2:
      O   HB    THR   46 - HN    THR   46   3.11 +/- 0.50  96.675% * 99.3656% (0.25  10.0   3.23  34.24) =  99.992%  kept
          HA    LYS+ 112 - HN    THR   46  13.88 +/- 1.86   1.878% *  0.3045% (0.76   1.0   0.02   0.02) =   0.006%
          HB2   HIS  122 - HN    THR   46  19.33 +/- 2.71   0.636% *  0.1940% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    THR   46  18.53 +/- 4.50   0.811% *  0.1359% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.32 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 = 0.614, support = 3.25, residual support = 9.33:
          QG2   THR   77 - HN    THR   46   3.85 +/- 2.74  56.648% * 65.2665% (0.61   3.59  10.84) =  86.061%  kept
          QB    ALA   88 - HN    THR   46  10.69 +/- 3.57  18.441% * 19.7752% (0.95   0.70   0.02) =   8.489%  kept
          HB3   ASP-  44 - HN    THR   46   5.91 +/- 0.74  18.313% * 12.6819% (0.22   1.90   0.10) =   5.406%  kept
          HB3   LEU   80 - HN    THR   46  11.30 +/- 2.41   2.229% *  0.2466% (0.41   0.02   0.02) =   0.013%
          HB2   LEU   31 - HN    THR   46  18.63 +/- 3.16   1.033% *  0.3396% (0.57   0.02   0.02) =   0.008%
          HB2   LEU   63 - HN    THR   46  11.90 +/- 2.43   1.845% *  0.1852% (0.31   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HN    THR   46  16.23 +/- 1.86   0.832% *  0.3881% (0.65   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HN    THR   46  21.34 +/- 1.69   0.403% *  0.5380% (0.90   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    THR   46  23.04 +/- 2.31   0.255% *  0.5789% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.89 A violated in 0 structures by 0.13 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.884, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.33 +/- 1.81  42.812% * 32.0586% (0.99   0.02   0.02) =  53.447%  kept
          QD1   ILE  119 - HN    THR   46  12.83 +/- 1.69  25.459% * 25.8997% (0.80   0.02   0.02) =  25.678%  kept
          HB2   LEU  104 - HN    THR   46  17.65 +/- 1.88   9.935% * 32.0586% (0.99   0.02   0.02) =  12.403%  kept
          HG3   LYS+ 112 - HN    THR   46  14.60 +/- 3.11  21.794% *  9.9831% (0.31   0.02   0.02) =   8.473%  kept
    Distance limit 4.75 A violated in 19 structures by 4.51 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.35, residual support = 34.1:
          QG2   THR   46 - HN    THR   46   2.46 +/- 0.48  86.928% * 88.5067% (0.97   3.36  34.24) =  99.730%  kept
          QG2   VAL   18 - HN    THR   46  13.97 +/- 5.80   1.696% *  9.6589% (1.00   0.35   0.02) =   0.212%  kept
          QG1   VAL   43 - HN    THR   46   8.18 +/- 0.97   6.547% *  0.5159% (0.95   0.02   0.02) =   0.044%
          QD1   ILE   19 - HN    THR   46  15.79 +/- 3.65   0.910% *  0.3746% (0.69   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    THR   46  13.66 +/- 0.95   0.699% *  0.4367% (0.80   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    THR   46   9.75 +/- 2.42   2.190% *  0.0842% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    THR   46  15.27 +/- 1.97   0.586% *  0.2869% (0.53   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    THR   46  17.02 +/- 3.08   0.444% *  0.1360% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.65, residual support = 1.56:
          QG1   VAL   75 - HN    THR   46   4.69 +/- 3.18  80.267% * 99.0068% (0.92   1.65   1.57) =  99.754%  kept
          QD1   LEU  115 - HN    THR   46  10.39 +/- 1.80  19.733% *  0.9932% (0.76   0.02   0.02) =   0.246%  kept
    Distance limit 4.59 A violated in 3 structures by 0.89 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 3.43, residual support = 27.6:
          HB    THR   94 - HN    PHE   45   3.63 +/- 0.68  73.446% * 94.4059% (0.65   3.43  27.69) =  99.785%  kept
          HA    LYS+  65 - HN    PHE   45  13.05 +/- 2.60   5.698% *  0.7848% (0.92   0.02   0.02) =   0.064%
          QB    SER   85 - HN    PHE   45  14.04 +/- 3.06   4.452% *  0.8205% (0.97   0.02   0.02) =   0.053%
          QB    SER   48 - HN    PHE   45  10.60 +/- 0.88   4.132% *  0.6497% (0.76   0.02   0.02) =   0.039%
          HD2   PRO   52 - HN    PHE   45  12.07 +/- 1.59   3.265% *  0.2900% (0.34   0.02   0.02) =   0.014%
          HA2   GLY   51 - HN    PHE   45  14.04 +/- 1.71   1.824% *  0.4138% (0.49   0.02   0.02) =   0.011%
          HA    ALA  120 - HN    PHE   45  17.89 +/- 1.97   0.855% *  0.8042% (0.95   0.02   0.02) =   0.010%
          HA2   GLY   16 - HN    PHE   45  21.65 +/- 5.69   0.598% *  0.8205% (0.97   0.02   0.02) =   0.007%
          HA    LYS+ 121 - HN    PHE   45  18.84 +/- 2.60   0.799% *  0.4813% (0.57   0.02   0.02) =   0.006%
          HA    ALA   88 - HN    PHE   45  13.71 +/- 3.10   2.571% *  0.1489% (0.18   0.02   0.85) =   0.006%
          QB    SER  117 - HN    PHE   45  13.88 +/- 1.27   1.753% *  0.2120% (0.25   0.02   0.02) =   0.005%
          HA    GLN   32 - HN    PHE   45  19.98 +/- 2.44   0.607% *  0.1683% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.75 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 = 3.62, residual support = 79.8:
      O   HB2   PHE   45 - HN    PHE   45   2.60 +/- 0.44  96.427% * 99.8561% (0.99  10.0   3.62  79.82) =  99.997%  kept
          QE    LYS+ 111 - HN    PHE   45  13.91 +/- 2.34   2.612% *  0.0988% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   CYS   21 - HN    PHE   45  14.68 +/- 4.04   0.961% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 79.8:
      O   HB3   PHE   45 - HN    PHE   45   3.40 +/- 0.39  71.322% * 99.6079% (0.87  10.0   3.95  79.82) =  99.967%  kept
          QE    LYS+ 112 - HN    PHE   45  11.42 +/- 2.85  12.864% *  0.0996% (0.87   1.0   0.02   0.02) =   0.018%
          HB3   ASP-  86 - HN    PHE   45  13.43 +/- 3.47   5.872% *  0.0919% (0.80   1.0   0.02   0.02) =   0.008%
          HB    VAL  107 - HN    PHE   45   8.07 +/- 1.03   6.075% *  0.0515% (0.45   1.0   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    PHE   45  12.11 +/- 1.81   3.570% *  0.0431% (0.38   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    PHE   45  21.81 +/- 2.28   0.297% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.454, support = 3.63, residual support = 15.6:
          HB3   ASP-  44 - HN    PHE   45   3.79 +/- 0.49  41.639% * 42.8977% (0.49   4.10  18.44) =  75.635%  kept
          QG2   THR   77 - HN    PHE   45   5.39 +/- 1.65  21.694% * 17.0677% (0.31   2.57  10.03) =  15.678%  kept
          QB    ALA   88 - HN    PHE   45  11.94 +/- 3.00   4.159% * 24.5871% (0.69   1.67   0.85) =   4.330%  kept
          HB3   PRO   93 - HN    PHE   45   5.48 +/- 1.19  20.014% *  4.5981% (0.15   1.39   0.53) =   3.897%  kept
          HB2   LEU   31 - HN    PHE   45  16.98 +/- 2.72   0.671% *  7.5334% (0.87   0.40   0.02) =   0.214%  kept
          QB    ALA   84 - HN    PHE   45  10.65 +/- 1.99   2.678% *  1.2486% (0.18   0.33   0.02) =   0.142%  kept
          HB2   LEU   63 - HN    PHE   45   9.84 +/- 2.05   3.400% *  0.2607% (0.61   0.02   0.02) =   0.038%
          HB3   LEU   80 - HN    PHE   45  12.08 +/- 2.43   1.869% *  0.3122% (0.73   0.02   0.02) =   0.025%
          HG2   LYS+ 111 - HN    PHE   45  13.98 +/- 2.27   1.156% *  0.3968% (0.92   0.02   0.02) =   0.019%
          HG2   LYS+  99 - HN    PHE   45  18.37 +/- 1.54   0.447% *  0.4289% (1.00   0.02   0.02) =   0.008%
          HG    LEU   98 - HN    PHE   45  12.69 +/- 1.81   1.591% *  0.1072% (0.25   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    PHE   45  20.72 +/- 2.13   0.317% *  0.4149% (0.97   0.02   0.02) =   0.006%
          QB    ALA  124 - HN    PHE   45  18.57 +/- 1.83   0.366% *  0.1466% (0.34   0.02   0.02) =   0.002%
    Distance limit 4.30 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 = 0.877, support = 0.972, residual support = 7.68:
          QD1   ILE   89 - HN    PHE   45   8.05 +/- 3.39  44.029% * 47.3768% (0.80   1.07  12.38) =  55.394%  kept
          QG2   VAL   83 - HN    PHE   45   8.98 +/- 2.93  32.672% * 48.3984% (0.98   0.89   1.96) =  41.992%  kept
          QD2   LEU   31 - HN    PHE   45  12.30 +/- 2.17  23.299% *  4.2248% (0.84   0.09   0.02) =   2.614%  kept
    Distance limit 4.45 A violated in 11 structures by 2.44 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   3.59 +/- 0.50  79.334% * 98.4414% (1.00   4.10  12.42) =  99.923%  kept
          QE    LYS+ 112 - HN    THR   46  12.71 +/- 2.76   6.668% *  0.4803% (1.00   0.02   0.02) =   0.041%
          HB    VAL  107 - HN    THR   46  11.59 +/- 1.18   3.300% *  0.3854% (0.80   0.02   0.02) =   0.016%
          HB3   ASP-  86 - HN    THR   46  13.09 +/- 3.05   4.737% *  0.2158% (0.45   0.02   0.02) =   0.013%
          HB3   ASP-  62 - HN    THR   46  13.45 +/- 2.81   5.013% *  0.0651% (0.14   0.02   0.02) =   0.004%
          HG2   GLU-  29 - HN    THR   46  23.01 +/- 3.13   0.411% *  0.2919% (0.61   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    THR   46  21.14 +/- 2.70   0.537% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.743, residual support = 7.76:
          HN    CYS   50 - HN    CYS   53   5.11 +/- 0.38  96.943% * 77.1198% (0.87  1.00   0.75   7.83) =  99.073%  kept
        T HN    VAL   83 - HN    CYS   53  18.23 +/- 3.04   3.057% * 22.8802% (0.97 10.00   0.02   0.02) =   0.927%  kept
    Distance limit 4.87 A violated in 0 structures by 0.29 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 55.6:
      O   HA    PRO   52 - HN    CYS   53   3.43 +/- 0.04  97.546% * 99.8358% (0.61  10.0   7.18  55.60) =  99.996%  kept
          HA    LYS+ 111 - HN    CYS   53  12.35 +/- 1.45   2.454% *  0.1642% (1.00   1.0   0.02   0.02) =   0.004%
    Distance limit 4.69 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 = 4.86, residual support = 44.8:
      O   HA    CYS   53 - HN    CYS   53   2.78 +/- 0.04  98.355% * 99.7036% (0.90  10.0   4.86  44.79) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  15.59 +/- 2.37   0.831% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  23.85 +/- 3.33   0.187% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  27.34 +/- 3.07   0.138% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  26.62 +/- 4.01   0.217% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.09 +/- 3.73   0.139% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.10 +/- 2.53   0.134% *  0.0172% (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 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.353, support = 7.81, residual support = 51.2:
          HD2   PRO   52 - HN    CYS   53   2.33 +/- 0.05  82.563% * 60.8852% (0.34   8.19  55.60) =  92.061%  kept
          HA2   GLY   51 - HN    CYS   53   4.48 +/- 0.21  11.889% * 36.3265% (0.49   3.43   0.26) =   7.910%  kept
          QB    SER   48 - HN    CYS   53   8.32 +/- 1.06   2.207% *  0.3330% (0.76   0.02   0.02) =   0.013%
          HB    THR   94 - HN    CYS   53  11.37 +/- 2.35   1.527% *  0.2819% (0.65   0.02   0.02) =   0.008%
          QB    SER   85 - HN    CYS   53  17.38 +/- 3.27   0.312% *  0.4205% (0.97   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    CYS   53  16.93 +/- 2.83   0.273% *  0.4023% (0.92   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    CYS   53  19.71 +/- 1.97   0.160% *  0.4122% (0.95   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  15.46 +/- 2.39   0.431% *  0.1087% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    CYS   53  27.51 +/- 5.43   0.074% *  0.4205% (0.97   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    CYS   53  15.78 +/- 2.72   0.398% *  0.0763% (0.18   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    CYS   53  22.02 +/- 2.04   0.112% *  0.2467% (0.57   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    CYS   53  28.36 +/- 3.29   0.054% *  0.0862% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.949, support = 5.08, residual support = 45.6:
      O   HB2   CYS   53 - HN    CYS   53   2.78 +/- 0.36  65.440% * 84.9098% (0.98  10.0   5.00  44.79) =  92.485%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.01  30.318% * 14.8835% (0.57   1.0   6.07  55.60) =   7.511%  kept
          HD2   PRO   58 - HN    CYS   53   8.59 +/- 1.61   3.413% *  0.0560% (0.65   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    CYS   53  17.95 +/- 2.94   0.658% *  0.0490% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    CYS   53  26.61 +/- 2.38   0.088% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  27.71 +/- 3.30   0.083% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.14, residual support = 43.6:
      O   HB3   CYS   53 - HN    CYS   53   2.63 +/- 0.58  68.186% * 75.7503% (0.97  10.0   6.28  44.79) =  96.195%  kept
          QB    PHE   55 - HN    CYS   53   4.83 +/- 0.28  15.786% *  6.7032% (0.97   1.0   1.77   0.02) =   1.971%  kept
          HD2   ARG+  54 - HN    CYS   53   6.81 +/- 0.71   5.165% * 15.4689% (0.92   1.0   4.27  31.69) =   1.488%  kept
          HD3   PRO   93 - HN    CYS   53   8.24 +/- 3.54   9.549% *  1.9398% (1.00   1.0   0.50   0.02) =   0.345%  kept
          HB2   PHE   59 - HN    CYS   53  11.78 +/- 1.02   1.094% *  0.0600% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    CYS   53  20.41 +/- 2.44   0.220% *  0.0778% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.686, support = 2.92, residual support = 7.82:
          QB    CYS   50 - HN    CYS   53   4.03 +/- 0.77  85.901% * 98.0251% (0.69   2.93   7.83) =  99.890%  kept
          QE    LYS+  74 - HN    CYS   53  13.74 +/- 3.05   8.095% *  0.7084% (0.73   0.02   0.02) =   0.068%
          HB3   ASP-  78 - HN    CYS   53  15.34 +/- 4.81   3.707% *  0.8149% (0.84   0.02   0.02) =   0.036%
          HB3   ASN   69 - HN    CYS   53  23.21 +/- 4.27   1.239% *  0.3011% (0.31   0.02   0.02) =   0.004%
          HB3   HIS  122 - HN    CYS   53  19.78 +/- 2.40   1.058% *  0.1505% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 55.5:
          HG2   PRO   52 - HN    CYS   53   3.18 +/- 0.21  85.031% * 94.9791% (0.25   7.20  55.60) =  99.890%  kept
          HG2   MET   92 - HN    CYS   53  10.35 +/- 3.02   6.393% *  0.8085% (0.76   0.02   0.02) =   0.064%
          QG    GLU- 114 - HN    CYS   53  12.62 +/- 2.42   2.911% *  0.7267% (0.69   0.02   0.02) =   0.026%
          HB2   ASP-  44 - HN    CYS   53  12.12 +/- 1.17   1.651% *  0.2638% (0.25   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HN    CYS   53  17.91 +/- 3.52   0.646% *  0.6416% (0.61   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    CYS   53  12.02 +/- 2.30   2.060% *  0.1432% (0.14   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    CYS   53  26.50 +/- 4.86   0.439% *  0.3609% (0.34   0.02   0.02) =   0.002%
          QB    MET   11 - HN    CYS   53  31.93 +/- 4.70   0.119% *  0.8471% (0.80   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    CYS   53  19.10 +/- 1.84   0.449% *  0.1853% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    CYS   53  31.36 +/- 2.75   0.101% *  0.8085% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  26.74 +/- 3.73   0.199% *  0.2355% (0.22   0.02   0.02) =   0.001%
    Distance limit 5.00 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 = 0.928, support = 7.0, residual support = 54.0:
          HG3   PRO   52 - HN    CYS   53   4.30 +/- 0.13  44.097% * 90.0121% (0.98   7.20  55.60) =  93.576%  kept
          HB2   ARG+  54 - HN    CYS   53   5.04 +/- 0.59  29.907% *  9.0181% (0.18   4.04  31.69) =   6.358%  kept
          HB2   PRO   93 - HN    CYS   53   8.65 +/- 3.51  14.277% *  0.1048% (0.41   0.02   0.02) =   0.035%
          HG2   PRO   58 - HN    CYS   53  10.61 +/- 1.46   3.611% *  0.2500% (0.98   0.02   0.02) =   0.021%
          HB    VAL  108 - HN    CYS   53  14.01 +/- 4.11   7.432% *  0.0345% (0.14   0.02   0.02) =   0.006%
          HB2   GLU-  14 - HN    CYS   53  30.09 +/- 3.76   0.203% *  0.2545% (1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    CYS   53  35.91 +/- 5.41   0.123% *  0.2550% (1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    CYS   53  23.11 +/- 2.89   0.350% *  0.0709% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.672, support = 7.23, residual support = 53.2:
      O   HB3   PRO   52 - HN    CYS   53   3.82 +/- 0.37  53.713% * 77.7275% (0.65  10.0   7.59  55.60) =  89.934%  kept
          HG2   ARG+  54 - HN    CYS   53   5.40 +/- 0.61  21.720% * 21.4519% (0.90   1.0   3.98  31.69) =  10.037%  kept
          QB    LYS+ 106 - HN    CYS   53  14.86 +/- 4.07   4.523% *  0.0680% (0.57   1.0   0.02   0.02) =   0.007%
          HB3   ASP- 105 - HN    CYS   53  19.23 +/- 4.26   2.523% *  0.1042% (0.87   1.0   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    CYS   53   7.70 +/- 1.21  10.340% *  0.0238% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    CYS   53  12.60 +/- 2.81   2.786% *  0.0825% (0.69   1.0   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    CYS   53  17.14 +/- 4.08   1.896% *  0.0729% (0.61   1.0   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    CYS   53  22.28 +/- 4.21   0.542% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    CYS   53  22.01 +/- 2.95   0.336% *  0.1137% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    CYS   53  19.78 +/- 2.47   0.481% *  0.0777% (0.65   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    CYS   53  21.16 +/- 3.77   0.514% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.84 +/- 2.10   0.206% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  20.85 +/- 2.64   0.421% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.771, support = 5.82, residual support = 44.6:
        T HN    GLN   32 - HN    LEU   31   2.83 +/- 0.18  75.641% * 96.1103% (0.78 10.00   5.84  44.89) =  99.055%  kept
          HN    ALA   34 - HN    LEU   31   4.41 +/- 0.27  21.640% *  3.1987% (0.14  1.00   3.60  11.84) =   0.943%  kept
        T HN    GLN   32 - HN    PHE   55  27.31 +/- 3.00   0.104% *  0.4688% (0.38 10.00   0.02   0.02) =   0.001%
          HN    SER   85 - HN    LEU   31  23.28 +/- 6.47   0.307% *  0.1148% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  11.35 +/- 2.15   1.577% *  0.0140% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.79 +/- 2.66   0.240% *  0.0560% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.06 +/- 2.62   0.388% *  0.0287% (0.23  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.44 +/- 2.48   0.103% *  0.0087% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.547, support = 7.04, residual support = 49.7:
        T HN    GLN   30 - HN    LEU   31   2.51 +/- 0.10  81.393% * 78.2207% (0.53 10.00   7.25  52.41) =  94.753%  kept
          HN    GLU-  29 - HN    LEU   31   4.30 +/- 0.27  16.669% * 21.1416% (0.91  1.00   3.12   0.42) =   5.245%  kept
          HN    VAL   18 - HN    LEU   31  13.39 +/- 2.00   1.092% *  0.0384% (0.26  1.00   0.02   0.02) =   0.001%
        T HN    GLN   30 - HN    PHE   55  26.05 +/- 2.75   0.089% *  0.3816% (0.26 10.00   0.02   0.02) =   0.001%
          HN    ASP-  86 - HN    LEU   31  23.19 +/- 7.12   0.354% *  0.0894% (0.60  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  20.74 +/- 2.62   0.177% *  0.0436% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.19 +/- 3.25   0.085% *  0.0661% (0.44  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  22.58 +/- 4.32   0.142% *  0.0187% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.24, residual support = 20.5:
      O   HA    PHE   55 - HN    PHE   55   2.79 +/- 0.06  74.795% * 96.3371% (0.48  10.0   3.24  20.54) =  99.770%  kept
          HA    TRP   27 - HN    LEU   31   4.53 +/- 0.34  18.559% *  0.5307% (0.13   1.0   0.40  24.70) =   0.136%  kept
          HA    ALA  110 - HN    PHE   55   9.88 +/- 2.38   2.653% *  2.4196% (0.71   1.0   0.34   0.65) =   0.089%
          HA    VAL  107 - HN    PHE   55  14.09 +/- 2.85   1.471% *  0.0899% (0.45   1.0   0.02   0.02) =   0.002%
          HA    GLN   90 - HN    PHE   55  15.22 +/- 2.49   0.576% *  0.1272% (0.64   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    PHE   55  12.98 +/- 2.48   1.002% *  0.0653% (0.33   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LEU   31  24.32 +/- 4.53   0.165% *  0.0963% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.72 +/- 3.02   0.223% *  0.0681% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.72 +/- 3.38   0.131% *  0.1079% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  23.24 +/- 3.39   0.172% *  0.0495% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  26.05 +/- 3.06   0.111% *  0.0730% (0.37   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  24.05 +/- 2.71   0.143% *  0.0354% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 20.3:
      O   QB    PHE   55 - HN    PHE   55   2.05 +/- 0.07  85.163% * 82.2270% (0.79  10.0   3.02  20.54) =  98.511%  kept
          HD2   ARG+  54 - HN    PHE   55   5.20 +/- 0.67   6.412% * 13.9880% (0.69   1.0   3.89   4.27) =   1.262%  kept
          HB3   CYS   53 - HN    PHE   55   5.33 +/- 0.22   4.970% *  3.1972% (0.73   1.0   0.83   0.02) =   0.224%  kept
          HD3   PRO   93 - HN    PHE   55   9.22 +/- 3.17   1.569% *  0.0828% (0.79   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HN    PHE   55   9.26 +/- 0.97   1.063% *  0.0693% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    LEU   31  17.66 +/- 2.75   0.242% *  0.0628% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  19.19 +/- 2.14   0.116% *  0.0830% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.12 +/- 3.40   0.137% *  0.0627% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.38 +/- 3.32   0.138% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  23.01 +/- 2.98   0.076% *  0.0580% (0.56   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.41 +/- 2.43   0.065% *  0.0623% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  26.35 +/- 3.46   0.049% *  0.0545% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.326, support = 3.56, residual support = 9.07:
      O   HA    ARG+  54 - HN    PHE   55   3.50 +/- 0.04  40.201% * 65.5842% (0.25  10.0   3.27   4.27) =  68.293%  kept
          HA    ASN   28 - HN    LEU   31   3.45 +/- 0.15  41.954% * 28.6532% (0.50   1.0   4.26  19.77) =  31.138%  kept
          HA    THR   26 - HN    LEU   31   7.05 +/- 0.46   5.120% *  3.9046% (0.39   1.0   0.75   0.02) =   0.518%  kept
          HA    ALA   34 - HN    LEU   31   6.53 +/- 0.51   6.722% *  0.1553% (0.58   1.0   0.02  11.84) =   0.027%
          HA    LEU  115 - HN    PHE   55  11.86 +/- 2.24   1.654% *  0.1843% (0.69   1.0   0.02   3.66) =   0.008%
          HA1   GLY  101 - HN    LEU   31  14.27 +/- 6.23   1.752% *  0.1606% (0.60   1.0   0.02   0.02) =   0.007%
          HA    GLU- 114 - HN    PHE   55  13.78 +/- 2.07   0.873% *  0.2010% (0.75   1.0   0.02   0.02) =   0.005%
          HA    LEU  115 - HN    LEU   31  20.55 +/- 3.72   0.335% *  0.1396% (0.52   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    PHE   55  25.28 +/- 3.38   0.151% *  0.1775% (0.66   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LEU   31  24.13 +/- 3.77   0.176% *  0.1523% (0.57   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  25.85 +/- 2.59   0.111% *  0.2051% (0.77   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    PHE   55  27.75 +/- 3.07   0.094% *  0.2120% (0.79   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    PHE   55  27.64 +/- 3.38   0.107% *  0.1375% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  24.73 +/- 6.17   0.361% *  0.0358% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  21.56 +/- 2.65   0.214% *  0.0473% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  23.45 +/- 3.12   0.175% *  0.0497% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.15, residual support = 232.0:
      O   HA    LEU   31 - HN    LEU   31   2.73 +/- 0.06  99.841% * 99.9512% (0.60  10.0   7.15 231.96) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  24.57 +/- 2.76   0.159% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.5, support = 5.97, residual support = 43.4:
          HB2   GLN   30 - HN    LEU   31   3.45 +/- 0.45  35.709% * 34.2222% (0.48   6.20  52.41) =  49.440%  kept
          HG3   GLN   30 - HN    LEU   31   4.81 +/- 0.59  15.932% * 49.3018% (0.60   7.22  52.41) =  31.778%  kept
          HB2   ARG+  54 - HN    PHE   55   3.57 +/- 0.38  32.080% * 14.4280% (0.39   3.26   4.27) =  18.726%  kept
          HB3   GLU- 100 - HN    LEU   31  14.49 +/- 5.31   4.200% *  0.1196% (0.52   0.02   0.02) =   0.020%
          HB2   PRO   93 - HN    PHE   55   9.05 +/- 3.35   4.044% *  0.0405% (0.18   0.02   0.02) =   0.007%
          HB    ILE  119 - HN    PHE   55  13.07 +/- 1.54   0.967% *  0.1458% (0.64   0.02   0.02) =   0.006%
          HB    VAL  108 - HN    PHE   55  14.72 +/- 3.11   0.968% *  0.1031% (0.45   0.02   0.02) =   0.004%
          HB2   LYS+ 111 - HN    PHE   55  12.77 +/- 1.52   0.787% *  0.1031% (0.45   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31  10.42 +/- 0.33   1.268% *  0.0426% (0.19   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LEU   31  13.89 +/- 2.30   0.726% *  0.0671% (0.29   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    LEU   31  18.65 +/- 2.96   0.387% *  0.1196% (0.52   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    LEU   31  13.56 +/- 1.99   0.635% *  0.0671% (0.29   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    PHE   55  25.00 +/- 4.36   0.463% *  0.0886% (0.39   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    PHE   55  21.71 +/- 2.59   0.181% *  0.1579% (0.69   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LEU   31  21.60 +/- 4.17   0.238% *  0.1104% (0.48   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    PHE   55  25.64 +/- 2.94   0.097% *  0.1804% (0.79   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  24.28 +/- 3.81   0.180% *  0.0886% (0.39   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  24.52 +/- 2.29   0.109% *  0.1458% (0.64   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    LEU   31  19.57 +/- 3.40   0.493% *  0.0307% (0.13   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  22.08 +/- 2.20   0.147% *  0.0781% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  29.15 +/- 2.90   0.068% *  0.1579% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  25.32 +/- 4.10   0.119% *  0.0781% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  25.56 +/- 3.41   0.110% *  0.0671% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  28.15 +/- 3.98   0.091% *  0.0562% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.14, residual support = 231.6:
      O   HB2   LEU   31 - HN    LEU   31   2.76 +/- 0.32  79.829% * 95.4252% (0.78  10.0   7.15 231.96) =  99.851%  kept
          HB2   LEU   63 - HN    LEU   31  15.58 +/- 3.62   3.155% *  3.2710% (0.92   1.0   0.58   0.27) =   0.135%  kept
          HG    LEU   98 - HN    LEU   31  12.45 +/- 4.23   1.658% *  0.0991% (0.81   1.0   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    PHE   55   9.34 +/- 3.09   3.351% *  0.0405% (0.33   1.0   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    LEU   31  14.50 +/- 4.98   2.182% *  0.0556% (0.45   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   31  15.23 +/- 2.12   0.710% *  0.1140% (0.93   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  12.23 +/- 1.53   1.176% *  0.0556% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    LEU   31  19.23 +/- 5.75   0.581% *  0.1081% (0.88   1.0   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LEU   31  19.48 +/- 3.33   0.691% *  0.0830% (0.68   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  11.71 +/- 1.57   1.287% *  0.0429% (0.35   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    PHE   55  13.07 +/- 1.16   0.846% *  0.0552% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  13.06 +/- 1.85   1.051% *  0.0426% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   31  20.83 +/- 4.94   0.376% *  0.1081% (0.88   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  18.89 +/- 4.42   0.418% *  0.0873% (0.71   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  16.08 +/- 2.07   0.562% *  0.0426% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  17.99 +/- 2.15   0.345% *  0.0527% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.23 +/- 2.47   0.275% *  0.0527% (0.43   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.07 +/- 3.77   0.130% *  0.0873% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  18.11 +/- 3.76   0.433% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.44 +/- 2.58   0.182% *  0.0483% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.76 +/- 3.30   0.161% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.55 +/- 3.21   0.405% *  0.0110% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.50 +/- 3.12   0.108% *  0.0271% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  28.58 +/- 3.51   0.090% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.15, residual support = 231.9:
      O   HB3   LEU   31 - HN    LEU   31   3.46 +/- 0.11  68.419% * 99.4260% (0.83  10.0   7.15 231.96) =  99.984%  kept
          QB    ALA   20 - HN    LEU   31  10.02 +/- 1.34   3.863% *  0.0994% (0.83   1.0   0.02   0.02) =   0.006%
          HD3   LYS+ 112 - HN    PHE   55   9.22 +/- 2.84   9.433% *  0.0167% (0.14   1.0   0.02   0.86) =   0.002%
          QG2   VAL  107 - HN    PHE   55  10.12 +/- 2.33   7.613% *  0.0167% (0.14   1.0   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    PHE   55  11.92 +/- 1.48   2.084% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.93 +/- 0.32   4.046% *  0.0247% (0.21   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    LEU   31  20.31 +/- 4.17   0.573% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    LEU   31  20.95 +/- 5.71   0.621% *  0.0583% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    PHE   55  19.11 +/- 2.66   0.540% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  16.85 +/- 2.60   0.761% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  19.54 +/- 2.21   0.465% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.28 +/- 4.07   1.050% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  24.79 +/- 3.28   0.225% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  25.33 +/- 4.65   0.305% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.63, support = 7.34, residual support = 215.0:
          HG    LEU   31 - HN    LEU   31   2.29 +/- 0.51  71.822% * 64.6562% (0.64   7.71 231.96) =  92.134%  kept
          QD1   ILE   56 - HN    PHE   55   5.11 +/- 1.04  15.920% * 19.6033% (0.45   3.32  20.17) =   6.192%  kept
          QD2   LEU   73 - HN    LEU   31   6.89 +/- 2.38   5.599% * 15.0044% (0.78   1.47   1.60) =   1.667%  kept
          QG1   VAL   41 - HN    LEU   31   7.48 +/- 3.30   5.270% *  0.0427% (0.16   0.02   0.02) =   0.004%
          QD1   ILE   56 - HN    LEU   31  17.93 +/- 2.25   0.224% *  0.2419% (0.92   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    PHE   55  15.52 +/- 2.41   0.402% *  0.0994% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   31  20.86 +/- 5.76   0.179% *  0.1676% (0.64   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  19.96 +/- 2.30   0.208% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.32 +/- 3.03   0.103% *  0.0818% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  18.80 +/- 2.15   0.272% *  0.0209% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.9, residual support = 231.9:
          QD2   LEU   31 - HN    LEU   31   2.00 +/- 0.50  97.473% * 97.7508% (0.18   6.90 231.96) =  99.970%  kept
          QG2   VAL   43 - HN    LEU   31  10.12 +/- 3.28   1.691% *  1.4189% (0.92   0.02   0.02) =   0.025%
          QG2   VAL   43 - HN    PHE   55  14.22 +/- 1.78   0.625% *  0.6922% (0.45   0.02   0.02) =   0.005%
          QD2   LEU   31 - HN    PHE   55  19.80 +/- 2.43   0.211% *  0.1382% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.626, support = 1.52, residual support = 1.35:
          QD1   LEU   73 - HN    LEU   31   6.18 +/- 3.02  37.750% * 47.0191% (0.60   1.84   1.60) =  76.242%  kept
          QD1   LEU   63 - HN    LEU   31  12.75 +/- 3.92  16.800% * 15.8620% (0.60   0.62   0.27) =  11.446%  kept
          QD1   LEU  104 - HN    LEU   31  13.41 +/- 4.27   7.115% * 16.4057% (0.92   0.42   0.02) =   5.014%  kept
          QD2   LEU   80 - HN    LEU   31  15.00 +/- 5.41   7.628% * 13.7311% (0.90   0.36   0.02) =   4.499%  kept
          QD2   LEU  115 - HN    PHE   55   8.47 +/- 1.63  13.909% *  4.2222% (0.43   0.23   3.66) =   2.523%  kept
          QG1   VAL   83 - HN    LEU   31  16.47 +/- 5.85   5.340% *  0.5110% (0.60   0.02   0.02) =   0.117%  kept
          QD1   LEU   63 - HN    PHE   55  11.47 +/- 1.82   4.670% *  0.2493% (0.29   0.02   0.02) =   0.050%
          QD2   LEU  115 - HN    LEU   31  17.92 +/- 3.32   1.168% *  0.7472% (0.88   0.02   0.02) =   0.037%
          QD2   LEU   80 - HN    PHE   55  17.85 +/- 2.33   1.345% *  0.3719% (0.44   0.02   0.02) =   0.021%
          QD1   LEU   73 - HN    PHE   55  16.41 +/- 3.22   2.002% *  0.2493% (0.29   0.02   0.02) =   0.021%
          QG1   VAL   83 - HN    PHE   55  16.86 +/- 1.90   1.433% *  0.2493% (0.29   0.02   0.02) =   0.015%
          QD1   LEU  104 - HN    PHE   55  19.37 +/- 3.17   0.841% *  0.3819% (0.45   0.02   0.02) =   0.014%
    Distance limit 4.85 A violated in 0 structures by 0.27 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.664, support = 8.17, residual support = 51.7:
          HB3   GLN   30 - HN    LEU   31   2.96 +/- 0.29  69.101% * 88.1704% (0.68   8.27  52.41) =  97.804%  kept
          HB    ILE   56 - HN    PHE   55   5.46 +/- 0.68  13.338% * 10.0988% (0.17   3.76  20.17) =   2.162%  kept
          HB3   GLU-  14 - HN    LEU   31  15.51 +/- 3.15   7.030% *  0.1103% (0.35   0.02   0.02) =   0.012%
          HB3   PRO   58 - HN    PHE   55   8.69 +/- 1.08   3.420% *  0.1405% (0.44   0.02   0.02) =   0.008%
          HB2   MET   92 - HN    PHE   55  11.50 +/- 2.70   2.674% *  0.1243% (0.39   0.02   0.02) =   0.005%
          HB3   LYS+  38 - HN    LEU   31  12.52 +/- 1.59   1.437% *  0.1546% (0.49   0.02   0.02) =   0.004%
          HB3   PRO   58 - HN    LEU   31  22.08 +/- 4.36   0.362% *  0.2879% (0.91   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    LEU   31  22.61 +/- 4.43   0.318% *  0.1663% (0.53   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  22.95 +/- 2.93   0.196% *  0.2548% (0.81   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  14.48 +/- 3.63   0.953% *  0.0453% (0.14   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  22.81 +/- 2.83   0.184% *  0.1103% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.50 +/- 2.43   0.149% *  0.1041% (0.33   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  16.97 +/- 2.44   0.544% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  28.05 +/- 3.08   0.104% *  0.0754% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  29.06 +/- 3.82   0.123% *  0.0538% (0.17   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  35.70 +/- 6.34   0.066% *  0.0811% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.546, support = 6.21, residual support = 44.0:
          HG2   GLN   30 - HN    LEU   31   4.85 +/- 0.37  52.969% * 68.9275% (0.49   7.56  52.41) =  74.263%  kept
          HB3   ASN   28 - HN    LEU   31   5.32 +/- 0.30  41.093% * 30.7844% (0.71   2.32  19.77) =  25.731%  kept
          QE    LYS+ 121 - HN    LEU   31  18.80 +/- 4.85   3.747% *  0.0469% (0.13   0.02   0.02) =   0.004%
          HB3   ASN   28 - HN    PHE   55  27.29 +/- 3.74   0.424% *  0.1292% (0.35   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    PHE   55  25.44 +/- 2.55   0.416% *  0.0890% (0.24   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    PHE   55  17.54 +/- 1.88   1.350% *  0.0229% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.09 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.64, residual support = 52.2:
      O   HA    GLN   30 - HN    LEU   31   3.59 +/- 0.05  55.309% * 98.0721% (0.64  10.0   6.67  52.41) =  99.634%  kept
          HB2   CYS   53 - HN    PHE   55   4.97 +/- 0.27  21.211% *  0.8655% (0.13   1.0   0.89   0.02) =   0.337%  kept
          HD3   PRO   52 - HN    PHE   55   6.48 +/- 0.33   9.656% *  0.0532% (0.35   1.0   0.02   0.38) =   0.009%
          HB    THR   39 - HN    LEU   31  11.07 +/- 2.28   2.668% *  0.1037% (0.68   1.0   0.02   0.02) =   0.005%
          HB3   SER   37 - HN    LEU   31   9.66 +/- 1.25   3.282% *  0.0808% (0.53   1.0   0.02   0.02) =   0.005%
          HB3   SER   82 - HN    LEU   31  21.20 +/- 7.45   1.286% *  0.1399% (0.91   1.0   0.02   0.02) =   0.003%
          QB    SER   13 - HN    LEU   31  15.83 +/- 3.17   1.608% *  0.1091% (0.71   1.0   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    PHE   55  15.75 +/- 1.85   0.804% *  0.0394% (0.26   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    PHE   55  13.94 +/- 2.53   1.893% *  0.0155% (0.10   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    LEU   31  24.28 +/- 4.74   0.278% *  0.0808% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  22.45 +/- 3.46   0.327% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  19.58 +/- 4.29   0.622% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  28.06 +/- 2.88   0.135% *  0.1091% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.92 +/- 2.78   0.277% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  25.68 +/- 2.45   0.177% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  27.86 +/- 3.73   0.167% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.60 +/- 2.59   0.152% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.22 +/- 3.39   0.149% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.53, residual support = 167.8:
      O   HA    ARG+  54 - HN    ARG+  54   2.74 +/- 0.05  87.551% * 99.0002% (0.61  10.0   6.53 167.85) =  99.994%  kept
          HA    LEU  115 - HN    ARG+  54  13.30 +/- 2.31   1.205% *  0.1527% (0.94   1.0   0.02   0.02) =   0.002%
          HA    GLU- 114 - HN    ARG+  54  15.51 +/- 2.39   0.731% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.29 +/- 1.44   2.166% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    ASP-  62   8.82 +/- 1.35   3.309% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    ASP-  62  17.53 +/- 3.20   1.232% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.68 +/- 3.46   0.178% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  18.88 +/- 4.11   0.626% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  25.62 +/- 2.55   0.123% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.01 +/- 1.82   0.932% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  23.08 +/- 2.43   0.180% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  27.59 +/- 3.57   0.108% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.73 +/- 3.06   0.385% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.28 +/- 1.35   0.446% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  26.97 +/- 3.44   0.128% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.04 +/- 3.20   0.173% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  20.66 +/- 3.48   0.301% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  20.73 +/- 2.10   0.226% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 4.09, residual support = 86.0:
      O   HB2   TRP   49 - HN    TRP   49   3.55 +/- 0.11  90.423% * 99.6106% (0.98  10.0   4.09  86.03) =  99.990%  kept
          HA2   GLY  109 - HN    TRP   49  14.96 +/- 3.50   5.259% *  0.0911% (0.90   1.0   0.02   0.02) =   0.005%
          HA    ALA   84 - HN    TRP   49  13.57 +/- 2.91   3.293% *  0.1007% (0.99   1.0   0.02   0.02) =   0.004%
          HA    ILE  119 - HN    TRP   49  20.27 +/- 2.26   0.574% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    TRP   49  21.95 +/- 2.37   0.451% *  0.1014% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.67 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 = 0.996, support = 2.54, residual support = 16.1:
          QB    ALA   47 - HE1   TRP   49   3.14 +/- 0.89  68.500% * 98.5609% (1.00   2.54  16.17) =  99.847%  kept
          HG2   LYS+ 112 - HE1   TRP   49  16.43 +/- 4.86  10.778% *  0.5344% (0.69   0.02   0.02) =   0.085%
          QB    ALA   64 - HE1   TRP   49  13.69 +/- 4.54  18.370% *  0.1540% (0.20   0.02   0.02) =   0.042%
          QG1   VAL   42 - HE1   TRP   49  13.69 +/- 2.00   2.352% *  0.7508% (0.97   0.02   0.02) =   0.026%
    Distance limit 4.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.73, residual support = 16.2:
          QB    ALA   47 - HN    TRP   49   2.61 +/- 0.33  95.439% * 99.0157% (1.00   3.73  16.17) =  99.989%  kept
          QG1   VAL   42 - HN    TRP   49  13.87 +/- 1.41   0.912% *  0.5135% (0.97   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HN    TRP   49  16.40 +/- 3.31   0.831% *  0.3655% (0.69   0.02   0.02) =   0.003%
          QB    ALA   64 - HN    TRP   49  13.47 +/- 3.49   2.818% *  0.1053% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.06 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 = 0.888, support = 0.168, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   4.03 +/- 1.15  71.718% * 71.2098% (0.90   0.17   0.02) =  97.341%  kept
          HD3   PRO   52 - HN    ALA   47   7.85 +/- 1.63  18.037% *  3.8038% (0.41   0.02   0.02) =   1.308%  kept
          HD2   PRO   58 - HN    ALA   47  10.90 +/- 2.13   5.776% *  7.4087% (0.80   0.02   0.02) =   0.816%  kept
          HA    VAL   83 - HN    ALA   47  14.25 +/- 2.24   2.835% *  6.7186% (0.73   0.02   0.02) =   0.363%  kept
          HA    GLU- 100 - HN    ALA   47  24.91 +/- 2.64   0.917% *  6.3555% (0.69   0.02   0.02) =   0.111%  kept
          HA    GLN   30 - HN    ALA   47  23.31 +/- 2.24   0.717% *  4.5036% (0.49   0.02   0.02) =   0.062%
    Distance limit 4.50 A violated in 1 structures by 0.26 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 = 3.13, residual support = 39.6:
      O   HB2   ASP-  44 - HN    ASP-  44   2.91 +/- 0.41  84.044% * 96.0963% (0.87  10.0   3.14  39.73) =  99.633%  kept
          HB3   PHE   72 - HN    ASP-  44   7.45 +/- 1.98   8.499% *  3.4544% (0.76   1.0   0.82   0.02) =   0.362%  kept
          QG    GLN   90 - HN    ASP-  44  14.05 +/- 2.53   1.330% *  0.0761% (0.69   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP-  44  17.82 +/- 5.02   0.686% *  0.1048% (0.95   1.0   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ASP-  44  12.16 +/- 2.45   2.927% *  0.0194% (0.18   1.0   0.02   0.38) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  12.64 +/- 2.48   1.434% *  0.0378% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  18.15 +/- 4.25   0.553% *  0.0925% (0.84   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    ASP-  44  24.19 +/- 3.40   0.188% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.67 +/- 1.27   0.339% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.849, support = 2.44, residual support = 4.45:
          HB2   LEU   73 - HN    ASP-  44   7.49 +/- 3.02  26.902% * 79.8527% (0.87   2.62   4.82) =  91.688%  kept
          HB3   MET   92 - HN    ASP-  44  10.98 +/- 2.16   9.949% * 14.5457% (0.73   0.57   0.38) =   6.176%  kept
          HG3   PRO   93 - HN    ASP-  44  10.07 +/- 2.24  13.000% *  1.3971% (0.31   0.13   0.02) =   0.775%  kept
          HB    ILE   89 - HN    ASP-  44  12.76 +/- 3.72   9.897% *  1.2596% (0.15   0.23   0.02) =   0.532%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.03 +/- 2.03  11.178% *  0.6894% (0.98   0.02   0.02) =   0.329%  kept
          QG1   ILE   56 - HN    ASP-  44   9.40 +/- 1.65  13.838% *  0.4266% (0.61   0.02   0.02) =   0.252%  kept
          QD    LYS+  99 - HN    ASP-  44  14.97 +/- 1.53   3.386% *  0.6971% (0.99   0.02   0.02) =   0.101%  kept
          HB3   LYS+  99 - HN    ASP-  44  15.12 +/- 2.05   3.694% *  0.3423% (0.49   0.02   0.02) =   0.054%
          HD2   LYS+ 111 - HN    ASP-  44  17.88 +/- 3.02   2.860% *  0.4266% (0.61   0.02   0.02) =   0.052%
          HB2   LEU  123 - HN    ASP-  44  18.04 +/- 3.26   2.611% *  0.2399% (0.34   0.02   0.02) =   0.027%
          QD    LYS+ 102 - HN    ASP-  44  16.50 +/- 1.88   2.685% *  0.1232% (0.18   0.02   0.02) =   0.014%
    Distance limit 4.64 A violated in 11 structures by 1.51 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.591, support = 1.06, residual support = 3.78:
          HB2   LYS+  74 - HN    ASP-  44   7.46 +/- 2.05  30.620% * 49.2657% (0.65   1.17   4.29) =  64.583%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.06 +/- 2.26  25.042% * 21.8385% (0.28   1.20   4.29) =  23.413%  kept
          QD    LYS+  66 - HN    ASP-  44  13.08 +/- 1.83   9.222% * 15.1598% (0.90   0.26   0.02) =   5.985%  kept
          HG2   LYS+  65 - HN    ASP-  44  11.71 +/- 2.46  12.441% *  9.8093% (0.95   0.16   0.02) =   5.225%  kept
          QG2   THR   26 - HN    ASP-  44  13.08 +/- 2.36   6.822% *  1.1708% (0.90   0.02   0.02) =   0.342%  kept
          HD2   LYS+ 121 - HN    ASP-  44  16.15 +/- 3.11   3.518% *  1.2796% (0.98   0.02   0.02) =   0.193%  kept
          HG    LEU  104 - HN    ASP-  44  14.58 +/- 2.24   4.617% *  0.5367% (0.41   0.02   0.02) =   0.106%  kept
          HB3   LYS+ 121 - HN    ASP-  44  16.22 +/- 3.36   3.505% *  0.5367% (0.41   0.02   0.02) =   0.081%
          HB3   LYS+ 111 - HN    ASP-  44  15.50 +/- 2.26   4.212% *  0.4029% (0.31   0.02   0.02) =   0.073%
    Distance limit 4.78 A violated in 11 structures by 1.54 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.99, support = 3.96, residual support = 39.7:
      O   HB3   ASP-  44 - HN    ASP-  44   3.27 +/- 0.43  66.625% * 98.7397% (0.99  10.0   3.97  39.73) =  99.882%  kept
          HB3   PRO   93 - HN    ASP-  44   8.07 +/- 1.94  11.397% *  0.5356% (0.84   1.0   0.13   0.02) =   0.093%
          HB2   LEU   63 - HN    ASP-  44   8.26 +/- 1.93   7.905% *  0.0942% (0.95   1.0   0.02   0.02) =   0.011%
          HG    LEU   98 - HN    ASP-  44  10.90 +/- 1.65   2.428% *  0.0942% (0.95   1.0   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    ASP-  44  12.14 +/- 3.25   2.163% *  0.0864% (0.87   1.0   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    ASP-  44  11.97 +/- 2.44   1.840% *  0.0864% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ASP-  44  13.90 +/- 2.52   1.316% *  0.0723% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    ASP-  44  11.72 +/- 2.14   2.219% *  0.0277% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  17.96 +/- 2.47   0.573% *  0.0987% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  16.69 +/- 2.50   0.769% *  0.0644% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  16.25 +/- 2.08   0.671% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  15.38 +/- 2.34   0.972% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  17.23 +/- 2.19   0.620% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  18.09 +/- 1.96   0.503% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.72, residual support = 16.1:
          QG1   VAL   43 - HN    ASP-  44   4.13 +/- 0.48  49.870% * 91.9516% (0.90   4.81  16.39) =  98.200%  kept
          QG2   THR   46 - HN    ASP-  44   6.66 +/- 1.59  20.664% *  2.3191% (0.99   0.11   0.10) =   1.026%  kept
          QG1   VAL   41 - HN    ASP-  44   8.63 +/- 0.83   6.145% *  4.6342% (0.73   0.30   0.02) =   0.610%  kept
          QG2   VAL   18 - HN    ASP-  44  10.46 +/- 5.18  11.830% *  0.4257% (1.00   0.02   0.02) =   0.108%  kept
          QD1   ILE   19 - HN    ASP-  44  11.62 +/- 2.86   3.852% *  0.3261% (0.76   0.02   0.02) =   0.027%
          QD2   LEU  104 - HN    ASP-  44  11.38 +/- 1.95   4.022% *  0.2588% (0.61   0.02   0.02) =   0.022%
          HG    LEU   31 - HN    ASP-  44  12.21 +/- 2.71   3.617% *  0.0844% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.639, support = 3.82, residual support = 16.0:
          QG2   VAL   43 - HN    ASP-  44   3.35 +/- 0.44  72.724% * 84.3740% (0.65   3.89  16.39) =  97.772%  kept
          QG2   VAL   83 - HN    ASP-  44   9.89 +/- 3.74   9.140% *  6.8025% (0.31   0.66   0.02) =   0.991%  kept
          QD1   ILE   89 - HN    ASP-  44  10.44 +/- 3.93  13.729% *  4.1615% (0.14   0.92   0.02) =   0.910%  kept
          QD2   LEU   31 - HN    ASP-  44   9.69 +/- 1.98   4.406% *  4.6620% (0.76   0.18   0.02) =   0.327%  kept
    Distance limit 3.57 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.519, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.03 +/- 0.41  75.559% * 36.5033% (0.53   0.02   0.02) =  78.622%  kept
          HA    ASP-  78 - HN    VAL   43  15.71 +/- 1.23  10.962% * 42.0822% (0.61   0.02   0.02) =  13.150%  kept
          HA    THR   23 - HN    VAL   43  16.34 +/- 3.16  13.479% * 21.4145% (0.31   0.02   0.02) =   8.228%  kept
    Distance limit 4.68 A violated in 20 structures by 3.28 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 = 16.2:
          HA    MET   96 - HN    VAL   43   5.25 +/- 1.12 100.000% *100.0000% (0.53   1.50  16.20) = 100.000%  kept
    Distance limit 4.68 A violated in 6 structures by 0.75 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 2.94, residual support = 16.1:
          HB2   MET   96 - HN    VAL   43   3.87 +/- 1.58  65.837% * 94.0402% (0.97   2.96  16.20) =  99.491%  kept
          HB3   ASP-  76 - HN    VAL   43  12.30 +/- 2.41   5.428% *  3.7833% (0.49   0.24   0.02) =   0.330%  kept
          HB    VAL   70 - HN    VAL   43   9.56 +/- 1.89   8.972% *  0.5911% (0.90   0.02   0.02) =   0.085%
          HB2   ASP- 105 - HN    VAL   43   9.85 +/- 1.54  12.324% *  0.1832% (0.28   0.02   0.02) =   0.036%
          QG    GLN   17 - HN    VAL   43  14.82 +/- 3.75   3.652% *  0.5505% (0.84   0.02   0.02) =   0.032%
          HB2   GLU-  25 - HN    VAL   43  18.62 +/- 2.94   1.732% *  0.4786% (0.73   0.02   0.02) =   0.013%
          HG2   GLU- 100 - HN    VAL   43  14.81 +/- 2.36   2.055% *  0.3731% (0.57   0.02   0.02) =   0.012%
    Distance limit 4.71 A violated in 3 structures by 0.38 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.22, residual support = 61.5:
      O   HB    VAL   43 - HN    VAL   43   2.88 +/- 0.50  93.645% * 99.7821% (0.87  10.0   4.22  61.49) =  99.996%  kept
          HB2   LYS+  99 - HN    VAL   43  11.17 +/- 1.96   2.369% *  0.0879% (0.76   1.0   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    VAL   43  17.14 +/- 3.67   1.735% *  0.0921% (0.80   1.0   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    VAL   43  14.81 +/- 3.77   1.217% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  16.66 +/- 4.10   1.033% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.815, support = 5.04, residual support = 35.3:
          HB    VAL   42 - HN    VAL   43   4.34 +/- 0.27  25.687% * 69.7481% (0.84   5.67  40.09) =  84.642%  kept
          HB3   LEU   73 - HN    VAL   43   8.13 +/- 3.38  12.743% * 18.1046% (0.90   1.37   6.40) =  10.900%  kept
          HB3   ASP-  44 - HN    VAL   43   6.33 +/- 0.68   9.014% *  8.8758% (0.25   2.42  16.39) =   3.780%  kept
          HB2   LEU   63 - HN    VAL   43   9.16 +/- 2.20   6.247% *  1.1660% (0.18   0.45   0.02) =   0.344%  kept
          HB3   PRO   93 - HN    VAL   43   9.69 +/- 2.38   9.240% *  0.1905% (0.65   0.02   0.02) =   0.083%
          HG    LEU   98 - HN    VAL   43   7.49 +/- 2.19  10.866% *  0.1433% (0.49   0.02   0.02) =   0.074%
          HG3   LYS+ 106 - HN    VAL   43   8.77 +/- 2.19   5.183% *  0.2938% (1.00   0.02   0.02) =   0.072%
          QB    LEU   98 - HN    VAL   43   6.64 +/- 2.26  14.420% *  0.0516% (0.18   0.02   0.02) =   0.035%
          HB2   LYS+ 112 - HN    VAL   43  15.84 +/- 3.11   1.891% *  0.2841% (0.97   0.02   0.02) =   0.025%
          HG3   LYS+  65 - HN    VAL   43  13.88 +/- 1.91   0.962% *  0.2459% (0.84   0.02   0.02) =   0.011%
          HG3   LYS+ 102 - HN    VAL   43  14.50 +/- 2.32   0.815% *  0.2718% (0.92   0.02   0.02) =   0.010%
          HG3   LYS+  33 - HN    VAL   43  14.60 +/- 1.61   0.880% *  0.2250% (0.76   0.02   0.02) =   0.009%
          QB    ALA   84 - HN    VAL   43  13.87 +/- 3.00   1.049% *  0.1786% (0.61   0.02   0.02) =   0.009%
          QB    ALA  124 - HN    VAL   43  16.76 +/- 2.92   0.614% *  0.1105% (0.38   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    VAL   43  20.50 +/- 3.20   0.390% *  0.1105% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.69 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 = 5.31, residual support = 59.1:
          QG1   VAL   43 - HN    VAL   43   2.44 +/- 0.68  76.790% * 69.5059% (0.90   5.41  61.49) =  95.953%  kept
          QG1   VAL   41 - HN    VAL   43   6.47 +/- 0.59   7.539% * 29.4754% (0.73   2.84   1.34) =   3.995%  kept
          QD2   LEU  104 - HN    VAL   43   8.22 +/- 2.00   7.650% *  0.1737% (0.61   0.02   0.02) =   0.024%
          QG2   VAL   18 - HN    VAL   43  11.47 +/- 3.88   1.985% *  0.2857% (1.00   0.02   0.02) =   0.010%
          QG2   THR   46 - HN    VAL   43   9.42 +/- 1.06   1.856% *  0.2838% (0.99   0.02   0.02) =   0.009%
          QD1   ILE   19 - HN    VAL   43  11.55 +/- 2.29   1.521% *  0.2188% (0.76   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    VAL   43  11.26 +/- 3.18   2.659% *  0.0567% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.676, support = 1.89, residual support = 1.84:
          QG2   VAL   41 - HN    VAL   43   5.39 +/- 0.82  20.139% * 76.3935% (0.73   2.22   1.34) =  80.624%  kept
          QD1   LEU   73 - HN    VAL   43   7.27 +/- 2.66  16.008% * 14.0426% (0.45   0.66   6.40) =  11.780%  kept
          QD1   LEU   63 - HN    VAL   43   7.23 +/- 2.71  16.052% *  7.3219% (0.45   0.34   0.02) =   6.159%  kept
          QD2   LEU   63 - HN    VAL   43   7.87 +/- 2.74  14.106% *  0.9305% (0.98   0.02   0.02) =   0.688%  kept
          QD2   LEU   98 - HN    VAL   43   5.84 +/- 2.17  23.673% *  0.4994% (0.53   0.02   0.02) =   0.620%  kept
          QD1   LEU   80 - HN    VAL   43  12.47 +/- 3.25   2.572% *  0.4994% (0.53   0.02   0.02) =   0.067%
          QD2   LEU  115 - HN    VAL   43  10.43 +/- 2.66   5.024% *  0.1662% (0.18   0.02   0.02) =   0.044%
          QD2   LEU   80 - HN    VAL   43  12.15 +/- 2.60   2.427% *  0.1465% (0.15   0.02   0.02) =   0.019%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.963, support = 5.08, residual support = 40.0:
          QG1   VAL   42 - HN    VAL   43   2.69 +/- 0.57  89.154% * 96.9312% (0.97   5.09  40.09) =  99.797%  kept
          QB    ALA   64 - HN    VAL   43   7.23 +/- 1.42   6.769% *  2.4045% (0.20   0.62   0.02) =   0.188%  kept
          QB    ALA   47 - HN    VAL   43  12.00 +/- 1.73   1.830% *  0.3935% (1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - HN    VAL   43  16.10 +/- 3.72   2.247% *  0.2709% (0.69   0.02   0.02) =   0.007%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   9.09 +/- 2.72  45.419% * 27.6841% (0.73   0.02   0.02) =  38.925%  kept
          QG2   VAL   83 - HN    VAL   43  11.38 +/- 3.98  27.138% * 38.1246% (1.00   0.02   0.02) =  32.028%  kept
          QD1   ILE   89 - HN    VAL   43  11.74 +/- 4.25  27.443% * 34.1913% (0.90   0.02   0.02) =  29.047%  kept
    Distance limit 4.14 A violated in 17 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.954, support = 5.36, residual support = 23.9:
          HB    VAL   41 - HN    VAL   42   3.57 +/- 0.65  58.748% * 93.9418% (0.97   5.42  24.24) =  98.583%  kept
          HB2   LEU   71 - HN    VAL   42   7.61 +/- 2.48  18.409% *  4.0716% (0.22   1.02   0.78) =   1.339%  kept
          HG12  ILE  103 - HN    VAL   42   9.90 +/- 2.34   4.396% *  0.3589% (1.00   0.02   0.02) =   0.028%
          HG2   PRO   93 - HN    VAL   42  14.47 +/- 3.00   4.241% *  0.2032% (0.57   0.02   0.02) =   0.015%
          QB    LYS+  66 - HN    VAL   42  11.61 +/- 1.39   1.941% *  0.2998% (0.84   0.02   0.02) =   0.010%
          HG    LEU  123 - HN    VAL   42  16.45 +/- 4.55   0.942% *  0.3219% (0.90   0.02   0.02) =   0.005%
          QB    LYS+  65 - HN    VAL   42  11.29 +/- 1.77   3.073% *  0.0895% (0.25   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    VAL   42  12.60 +/- 2.69   1.986% *  0.1224% (0.34   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    VAL   42  20.62 +/- 2.43   0.446% *  0.3219% (0.90   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    VAL   42  12.31 +/- 2.10   1.953% *  0.0710% (0.20   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    VAL   42  11.78 +/- 1.64   2.041% *  0.0554% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    VAL   42  13.16 +/- 1.43   1.309% *  0.0799% (0.22   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  18.77 +/- 2.01   0.515% *  0.0629% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.978, support = 5.54, residual support = 85.3:
      O   HB    VAL   42 - HN    VAL   42   2.78 +/- 0.40  56.554% * 92.0284% (0.98  10.0   5.59  86.33) =  98.829%  kept
          HB3   LEU   73 - HN    VAL   42   7.47 +/- 2.42   8.230% *  3.9343% (0.95   1.0   0.89   1.04) =   0.615%  kept
          QB    LEU   98 - HN    VAL   42   7.38 +/- 3.12   8.332% *  3.4096% (0.57   1.0   1.28   0.32) =   0.539%  kept
          HB3   LYS+  74 - HN    VAL   42   9.26 +/- 3.03  10.173% *  0.0290% (0.31   1.0   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    VAL   42  12.48 +/- 2.68   5.143% *  0.0209% (0.22   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    VAL   42  11.65 +/- 1.48   0.902% *  0.0937% (1.00   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    VAL   42  13.03 +/- 1.89   0.805% *  0.0920% (0.98   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    VAL   42  11.88 +/- 2.21   1.028% *  0.0718% (0.76   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    VAL   42   8.10 +/- 2.88   5.002% *  0.0127% (0.14   1.0   0.02   0.32) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  15.32 +/- 3.24   0.523% *  0.0867% (0.92   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  14.75 +/- 4.52   1.630% *  0.0261% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   42  17.97 +/- 3.13   0.456% *  0.0814% (0.87   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  18.23 +/- 2.87   0.296% *  0.0784% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.56 +/- 3.31   0.506% *  0.0164% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  15.93 +/- 2.89   0.419% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 1.22, residual support = 1.7:
          QD1   LEU   40 - HN    VAL   42   4.78 +/- 1.13  67.090% * 97.8971% (0.98   1.22   1.71) =  99.378%  kept
          QD2   LEU   67 - HN    VAL   42   7.95 +/- 1.66  29.174% *  1.3079% (0.80   0.02   0.02) =   0.577%  kept
          QG1   VAL  108 - HN    VAL   42  14.15 +/- 1.40   3.736% *  0.7950% (0.49   0.02   0.02) =   0.045%
    Distance limit 4.64 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.811, support = 5.22, residual support = 32.2:
          QG1   VAL   43 - HN    VAL   42   4.52 +/- 0.79  33.848% * 52.9714% (0.90   5.04  40.09) =  50.360%  kept
          QG1   VAL   41 - HN    VAL   42   4.19 +/- 0.31  38.156% * 46.1941% (0.73   5.42  24.24) =  49.506%  kept
          QG2   VAL   18 - HN    VAL   42   9.77 +/- 4.18   8.547% *  0.2340% (1.00   0.02   0.02) =   0.056%
          QD1   ILE   19 - HN    VAL   42   9.14 +/- 2.33   6.169% *  0.1793% (0.76   0.02   0.02) =   0.031%
          QD2   LEU  104 - HN    VAL   42   8.75 +/- 2.35   5.580% *  0.1423% (0.61   0.02   0.02) =   0.022%
          QG2   THR   46 - HN    VAL   42  11.18 +/- 1.69   2.620% *  0.2325% (0.99   0.02   0.02) =   0.017%
          HG    LEU   31 - HN    VAL   42  10.04 +/- 2.62   5.081% *  0.0464% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 5.75, residual support = 23.2:
          QG2   VAL   41 - HN    VAL   42   3.46 +/- 0.42  43.921% * 86.8805% (0.73   5.98  24.24) =  95.760%  kept
          QD2   LEU   63 - HN    VAL   42   7.15 +/- 2.42  14.360% *  6.1294% (0.98   0.31   0.02) =   2.209%  kept
          QD1   LEU   73 - HN    VAL   42   6.90 +/- 2.21  11.471% *  5.5538% (0.45   0.62   1.04) =   1.599%  kept
          QD2   LEU   98 - HN    VAL   42   6.29 +/- 2.79  16.516% *  0.9148% (0.53   0.09   0.32) =   0.379%  kept
          QD1   LEU   63 - HN    VAL   42   7.09 +/- 2.17   9.193% *  0.1793% (0.45   0.02   0.02) =   0.041%
          QD1   LEU   80 - HN    VAL   42  13.65 +/- 3.30   1.140% *  0.2104% (0.53   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    VAL   42  11.86 +/- 2.54   1.990% *  0.0700% (0.18   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    VAL   42  13.04 +/- 2.96   1.408% *  0.0617% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.45, residual support = 86.3:
          QG1   VAL   42 - HN    VAL   42   3.54 +/- 0.33  96.611% * 99.2607% (0.87   5.45  86.33) =  99.987%  kept
          HG2   LYS+ 112 - HN    VAL   42  18.11 +/- 3.68   1.618% *  0.4186% (1.00   0.02   0.02) =   0.007%
          QB    ALA   47 - HN    VAL   42  14.21 +/- 1.36   1.771% *  0.3207% (0.76   0.02   0.02) =   0.006%
    Distance limit 4.50 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 = 5.1, residual support = 81.3:
          QG2   VAL   42 - HN    VAL   42   3.10 +/- 0.65  49.332% * 87.7085% (0.61   5.36  86.33) =  94.190%  kept
          QG2   VAL   70 - HN    VAL   42   4.33 +/- 1.61  36.185% *  4.0965% (0.14   1.12   0.41) =   3.227%  kept
          QG2   VAL   75 - HN    VAL   42   6.34 +/- 2.01  14.483% *  8.1950% (0.45   0.68   0.02) =   2.584%  kept
    Distance limit 3.75 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 = 4.35, residual support = 73.4:
      O   HB    VAL   41 - HN    VAL   41   3.31 +/- 0.35  67.726% * 98.6354% (0.90  10.0   4.36  73.47) =  99.874%  kept
          HB2   LEU   71 - HN    VAL   41   8.11 +/- 2.54   8.239% *  0.7883% (0.61   1.0   0.24   0.76) =   0.097%
          HG12  ILE  103 - HN    VAL   41   8.99 +/- 3.37   9.004% *  0.0841% (0.76   1.0   0.02   0.02) =   0.011%
          QB    LYS+ 102 - HN    VAL   41  10.38 +/- 3.84   7.743% *  0.0841% (0.76   1.0   0.02   0.02) =   0.010%
          QB    LYS+  66 - HN    VAL   41  13.41 +/- 2.01   1.748% *  0.1090% (0.99   1.0   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    VAL   41  17.48 +/- 2.98   1.383% *  0.1040% (0.95   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    VAL   41  13.82 +/- 1.80   1.403% *  0.0711% (0.65   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  16.79 +/- 4.86   0.938% *  0.0535% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   41  14.49 +/- 3.46   1.425% *  0.0170% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.32 +/- 3.35   0.391% *  0.0535% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.197, support = 3.94, residual support = 19.5:
          HG    LEU   40 - HN    VAL   41   3.52 +/- 0.71  56.211% * 67.7474% (0.18   4.14  20.55) =  94.855%  kept
          HG    LEU   73 - HN    VAL   41  10.16 +/- 3.00   8.936% * 18.5076% (0.61   0.33   0.02) =   4.119%  kept
          HB3   LEU   67 - HN    VAL   41  10.40 +/- 1.98   7.005% *  1.7688% (0.95   0.02   0.02) =   0.309%  kept
          QB    ALA   61 - HN    VAL   41  12.81 +/- 2.34   3.330% *  1.8657% (1.00   0.02   0.02) =   0.155%  kept
          HG12  ILE   19 - HN    VAL   41  10.89 +/- 3.05   3.660% *  1.6770% (0.90   0.02   0.02) =   0.153%  kept
          QG    LYS+  66 - HN    VAL   41  14.14 +/- 2.50   2.603% *  1.4973% (0.80   0.02   0.02) =   0.097%
          HB3   LYS+  74 - HN    VAL   41  12.99 +/- 3.09   4.814% *  0.5771% (0.31   0.02   0.02) =   0.069%
          HG2   LYS+ 102 - HN    VAL   41  12.51 +/- 4.82   3.022% *  0.9102% (0.49   0.02   0.02) =   0.069%
          HD3   LYS+ 121 - HN    VAL   41  13.73 +/- 5.17   3.994% *  0.6378% (0.34   0.02   0.02) =   0.063%
          HB3   LEU  115 - HN    VAL   41  14.47 +/- 3.96   4.463% *  0.3275% (0.18   0.02   0.02) =   0.036%
          QB    ALA  110 - HN    VAL   41  17.19 +/- 2.08   0.739% *  1.7688% (0.95   0.02   0.02) =   0.033%
          HG    LEU   80 - HN    VAL   41  18.84 +/- 4.54   0.650% *  1.8046% (0.97   0.02   0.02) =   0.029%
          HB2   LEU   80 - HN    VAL   41  18.68 +/- 3.68   0.572% *  0.9102% (0.49   0.02   0.02) =   0.013%
    Distance limit 3.75 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.776, support = 1.52, residual support = 6.66:
          QB    ALA   34 - HN    VAL   41   5.58 +/- 2.05  41.600% * 73.7658% (0.90   1.55   8.25) =  80.119%  kept
          QG2   THR   39 - HN    VAL   41   5.58 +/- 0.92  34.674% * 20.9939% (0.28   1.42   0.27) =  19.006%  kept
          HG3   LYS+  38 - HN    VAL   41   9.87 +/- 1.21   7.878% *  2.8896% (0.53   0.10   0.02) =   0.594%  kept
          QG2   ILE   56 - HN    VAL   41  14.56 +/- 2.85  10.676% *  0.7696% (0.73   0.02   0.02) =   0.215%  kept
          QG2   THR   23 - HN    VAL   41  16.03 +/- 2.65   1.518% *  1.0505% (0.99   0.02   0.02) =   0.042%
          QG2   THR   77 - HN    VAL   41  14.28 +/- 1.60   2.469% *  0.2360% (0.22   0.02   0.02) =   0.015%
          QB    ALA   91 - HN    VAL   41  17.56 +/- 1.82   1.185% *  0.2947% (0.28   0.02   0.02) =   0.009%
    Distance limit 4.45 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.917, support = 4.56, residual support = 20.2:
          QD2   LEU   40 - HN    VAL   41   3.22 +/- 0.78  58.969% * 91.0141% (0.92   4.64  20.55) =  98.076%  kept
          QD2   LEU   71 - HN    VAL   41   7.26 +/- 2.00  14.207% *  6.7364% (0.65   0.49   0.76) =   1.749%  kept
          QD1   LEU   67 - HN    VAL   41   8.14 +/- 1.73   8.036% *  0.4023% (0.95   0.02   0.02) =   0.059%
          QG2   ILE  103 - HN    VAL   41   8.79 +/- 2.13   5.113% *  0.4215% (0.99   0.02   0.02) =   0.039%
          HB    VAL   75 - HN    VAL   41  11.54 +/- 2.30   2.719% *  0.6326% (0.34   0.09   0.02) =   0.031%
          QD1   ILE  103 - HN    VAL   41   8.74 +/- 2.84   7.380% *  0.2237% (0.53   0.02   0.02) =   0.030%
          HG3   LYS+  74 - HN    VAL   41  14.34 +/- 2.90   1.134% *  0.4243% (1.00   0.02   0.02) =   0.009%
          QG2   ILE  119 - HN    VAL   41  12.98 +/- 3.27   2.443% *  0.1451% (0.34   0.02   0.02) =   0.006%
    Distance limit 3.55 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.52, residual support = 73.1:
          QG1   VAL   41 - HN    VAL   41   2.35 +/- 0.46  73.401% * 91.9427% (1.00   4.54  73.47) =  99.440%  kept
          QG1   VAL   43 - HN    VAL   41   6.57 +/- 0.89   5.160% *  6.7642% (0.95   0.35   1.34) =   0.514%  kept
          QG2   VAL   18 - HN    VAL   41  11.38 +/- 3.03   2.879% *  0.3093% (0.76   0.02   0.02) =   0.013%
          QD2   LEU  104 - HN    VAL   41   6.80 +/- 3.04  10.693% *  0.0801% (0.20   0.02   0.02) =   0.013%
          QD2   LEU   73 - HN    VAL   41   7.93 +/- 1.95   3.060% *  0.1814% (0.45   0.02   0.02) =   0.008%
          HG    LEU   31 - HN    VAL   41  10.30 +/- 2.79   1.530% *  0.2455% (0.61   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    VAL   41   9.58 +/- 2.04   2.151% *  0.1249% (0.31   0.02   0.02) =   0.004%
          QG2   THR   46 - HN    VAL   41  14.20 +/- 1.40   0.484% *  0.2618% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  13.75 +/- 2.24   0.644% *  0.0901% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.77 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 = 67.3:
          QG2   VAL   41 - HN    VAL   41   3.21 +/- 0.76  49.495% * 79.8221% (0.73   4.34  73.47) =  87.865%  kept
          QD2   LEU   98 - HN    VAL   41   5.73 +/- 3.80  28.740% * 18.7945% (0.53   1.41  22.81) =  12.013%  kept
          QD2   LEU   63 - HN    VAL   41   8.76 +/- 2.29   4.305% *  0.4962% (0.98   0.02   0.02) =   0.048%
          QD1   LEU   63 - HN    VAL   41   8.73 +/- 1.89   6.268% *  0.2270% (0.45   0.02   0.02) =   0.032%
          QD1   LEU   73 - HN    VAL   41   9.01 +/- 2.42   5.961% *  0.2270% (0.45   0.02   0.02) =   0.030%
          QD2   LEU  115 - HN    VAL   41  13.15 +/- 3.12   3.672% *  0.0887% (0.18   0.02   0.02) =   0.007%
          QD1   LEU   80 - HN    VAL   41  16.18 +/- 3.63   0.741% *  0.2664% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   41  15.52 +/- 3.36   0.818% *  0.0781% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 0.177, support = 2.6, residual support = 2.58:
          QG2   VAL   70 - HN    VAL   41   5.18 +/- 1.29  69.162% * 98.3902% (0.18   2.62   2.60) =  99.276%  kept
          QG2   THR  118 - HN    VAL   41   9.53 +/- 3.46  30.838% *  1.6098% (0.38   0.02   0.02) =   0.724%  kept
    Distance limit 4.99 A violated in 1 structures by 0.37 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.718, support = 1.29, residual support = 11.5:
          HB2   SER   37 - HN    LEU   40   6.00 +/- 1.24  33.434% * 50.5019% (0.92   1.19   0.71) =  52.803%  kept
          HA    VAL   70 - HN    LEU   40   5.34 +/- 1.77  46.572% * 22.6283% (0.28   1.76  33.77) =  32.956%  kept
          HA1   GLY   16 - HN    LEU   40  10.97 +/- 5.75  17.083% * 26.6133% (0.98   0.59   0.02) =  14.217%  kept
          HA    GLN  116 - HN    LEU   40  17.60 +/- 4.05   2.911% *  0.2565% (0.28   0.02   0.02) =   0.023%
    Distance limit 4.69 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 4.08, residual support = 23.8:
          HB    THR   39 - HN    LEU   40   3.29 +/- 1.03  73.011% * 83.5452% (0.41   4.20  24.67) =  96.374%  kept
          HB3   SER   37 - HN    LEU   40   7.09 +/- 1.34  17.621% * 12.6000% (0.28   0.94   0.71) =   3.508%  kept
          HA    GLN   30 - HN    LEU   40  10.76 +/- 1.93   6.512% *  0.9155% (0.95   0.02   0.02) =   0.094%
          QB    SER   13 - HN    LEU   40  14.87 +/- 2.38   1.390% *  0.4339% (0.45   0.02   0.02) =   0.010%
          HB3   SER   82 - HN    LEU   40  24.16 +/- 4.33   0.430% *  0.7396% (0.76   0.02   0.02) =   0.005%
          HB2   CYS   53 - HN    LEU   40  21.69 +/- 1.82   0.449% *  0.5479% (0.57   0.02   0.02) =   0.004%
          HD3   PRO   52 - HN    LEU   40  27.11 +/- 2.32   0.245% *  0.9487% (0.98   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   40  25.51 +/- 3.87   0.343% *  0.2691% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 0.443, support = 0.858, residual support = 4.74:
          QE    LYS+  99 - HN    LEU   40   8.43 +/- 6.21  40.711% * 44.4716% (0.57   0.59   8.53) =  50.907%  kept
          QE    LYS+  38 - HN    LEU   40   6.69 +/- 1.70  36.220% * 47.4317% (0.31   1.15   0.82) =  48.306%  kept
          HB3   TRP   27 - HN    LEU   40  13.29 +/- 2.19   3.829% *  2.6098% (0.98   0.02   0.02) =   0.281%  kept
          HB2   PHE   97 - HN    LEU   40  12.13 +/- 2.78   3.368% *  2.5695% (0.97   0.02   1.30) =   0.243%  kept
          QE    LYS+ 102 - HN    LEU   40  14.78 +/- 4.40  12.362% *  0.4108% (0.15   0.02   0.02) =   0.143%  kept
          QE    LYS+ 106 - HN    LEU   40  16.07 +/- 2.48   1.543% *  1.5074% (0.57   0.02   0.02) =   0.065%
          HB3   PHE   60 - HN    LEU   40  14.73 +/- 1.95   1.968% *  0.9993% (0.38   0.02   0.02) =   0.055%
    Distance limit 4.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 101.5:
      O   HB2   LEU   40 - HN    LEU   40   2.86 +/- 0.50  88.561% * 99.7221% (0.97  10.0   4.86 101.49) =  99.995%  kept
          HB    VAL   18 - HN    LEU   40  12.54 +/- 4.43   8.014% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    LEU   40  13.39 +/- 1.98   1.447% *  0.0954% (0.92   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HN    LEU   40  14.34 +/- 3.65   1.539% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    LEU   40  22.11 +/- 2.46   0.251% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  23.77 +/- 2.27   0.188% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.648, support = 4.89, residual support = 101.5:
      O   HB3   LEU   40 - HN    LEU   40   2.68 +/- 0.47  62.821% * 69.1571% (0.61  10.0   4.76 101.49) =  86.820%  kept
          HG    LEU   40 - HN    LEU   40   4.21 +/- 0.45  21.758% * 30.2705% (0.92   1.0   5.75 101.49) =  13.162%  kept
          HG    LEU   67 - HN    LEU   40   9.18 +/- 2.00   2.664% *  0.1118% (0.98   1.0   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    LEU   40  15.18 +/- 5.71   2.251% *  0.0646% (0.57   1.0   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    LEU   40  16.79 +/- 3.73   0.916% *  0.1053% (0.92   1.0   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    LEU   40   9.37 +/- 1.99   5.390% *  0.0176% (0.15   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU   40  11.58 +/- 2.41   1.653% *  0.0511% (0.45   1.0   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LEU   40  14.68 +/- 3.90   0.655% *  0.0952% (0.84   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   40  18.02 +/- 3.65   0.553% *  0.0952% (0.84   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   40  13.26 +/- 2.03   1.337% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.495, support = 3.2, residual support = 15.5:
          QG2   THR   39 - HN    LEU   40   2.91 +/- 0.82  65.015% * 30.3416% (0.28   4.13  24.67) =  61.894%  kept
          QB    ALA   34 - HN    LEU   40   5.43 +/- 1.36  27.551% * 38.2522% (0.90   1.61   0.50) =  33.066%  kept
          HG3   LYS+  38 - HN    LEU   40   7.70 +/- 1.23   5.291% * 30.2335% (0.53   2.17   0.82) =   5.019%  kept
          QG2   ILE   56 - HN    LEU   40  16.43 +/- 2.67   0.807% *  0.3839% (0.73   0.02   0.02) =   0.010%
          QG2   THR   23 - HN    LEU   40  16.78 +/- 1.90   0.556% *  0.5241% (0.99   0.02   0.02) =   0.009%
          QG2   THR   77 - HN    LEU   40  16.38 +/- 1.59   0.531% *  0.1177% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   40  20.08 +/- 1.97   0.250% *  0.1470% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.9, support = 1.25, residual support = 17.1:
          QG1   VAL   70 - HN    LEU   40   5.65 +/- 1.75  29.977% * 51.8452% (0.84   1.61  33.77) =  48.304%  kept
          QD1   LEU   71 - HN    LEU   40   5.15 +/- 2.55  41.981% * 36.3986% (0.98   0.96   1.60) =  47.492%  kept
          QG1   VAL   18 - HN    LEU   40  10.25 +/- 3.44  12.523% * 10.0919% (0.73   0.36   0.02) =   3.928%  kept
          QD1   LEU  123 - HN    LEU   40  13.19 +/- 4.53   5.817% *  0.7578% (0.98   0.02   0.02) =   0.137%  kept
          HB3   LEU  104 - HN    LEU   40  12.91 +/- 3.98   4.997% *  0.7137% (0.92   0.02   0.02) =   0.111%  kept
          HB3   LEU   63 - HN    LEU   40  11.10 +/- 1.39   4.705% *  0.1928% (0.25   0.02   0.02) =   0.028%
    Distance limit 4.21 A violated in 1 structures by 0.29 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.653, support = 3.95, residual support = 73.4:
          QD2   LEU   40 - HN    LEU   40   3.89 +/- 0.80  42.117% * 66.5114% (0.53   5.00 101.49) =  71.878%  kept
          QD2   LEU   71 - HN    LEU   40   5.33 +/- 2.41  34.446% * 31.5954% (0.98   1.27   1.60) =  27.926%  kept
          QD1   LEU   67 - HN    LEU   40   7.54 +/- 1.76  15.157% *  0.2865% (0.57   0.02   0.02) =   0.111%  kept
          QD1   ILE  103 - HN    LEU   40  12.15 +/- 2.81   2.567% *  0.4672% (0.92   0.02   0.02) =   0.031%
          QG2   ILE  103 - HN    LEU   40  12.09 +/- 2.24   2.882% *  0.3476% (0.69   0.02   0.02) =   0.026%
          QG2   ILE  119 - HN    LEU   40  13.60 +/- 3.53   1.565% *  0.3868% (0.76   0.02   0.02) =   0.016%
          HG3   LYS+  74 - HN    LEU   40  15.04 +/- 2.97   1.266% *  0.4052% (0.80   0.02   0.02) =   0.013%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.94, residual support = 33.8:
          QG2   VAL   70 - HN    LEU   40   4.72 +/- 1.03 100.000% *100.0000% (0.57   5.94  33.77) = 100.000%  kept
    Distance limit 4.54 A violated in 2 structures by 0.45 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.627, support = 1.83, residual support = 1.94:
          HA    GLU-  36 - HN    THR   39   6.30 +/- 0.85  33.662% * 77.7353% (0.80   1.91   1.33) =  70.050%  kept
          HA    ALA   34 - HN    THR   39   4.39 +/- 1.81  59.516% * 18.7289% (0.22   1.65   3.39) =  29.840%  kept
          HA    ALA  124 - HN    THR   39  20.59 +/- 6.37   1.960% *  0.9819% (0.97   0.02   0.02) =   0.052%
          HA    ASN   28 - HN    THR   39  13.40 +/- 1.26   2.238% *  0.3819% (0.38   0.02   0.02) =   0.023%
          HA    LEU  115 - HN    THR   39  19.50 +/- 3.78   1.855% *  0.3471% (0.34   0.02   0.02) =   0.017%
          HA    ARG+  54 - HN    THR   39  24.73 +/- 2.45   0.429% *  0.9125% (0.90   0.02   0.02) =   0.010%
          HA    LYS+  81 - HN    THR   39  26.15 +/- 3.55   0.339% *  0.9125% (0.90   0.02   0.02) =   0.008%
    Distance limit 4.42 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 3.3, residual support = 10.0:
          HA    SER   37 - HN    THR   39   4.14 +/- 0.83  55.575% * 57.2660% (0.90   3.31   4.43) =  72.244%  kept
          HA    LEU   40 - HN    THR   39   5.21 +/- 0.48  29.763% * 40.9387% (0.65   3.28  24.67) =  27.659%  kept
          HA    GLN   17 - HN    THR   39  13.43 +/- 4.05   4.983% *  0.3459% (0.90   0.02   0.02) =   0.039%
          HA    GLU-  15 - HN    THR   39  12.08 +/- 4.25   4.627% *  0.3221% (0.84   0.02   0.02) =   0.034%
          HA    SER   13 - HN    THR   39  15.97 +/- 3.21   1.255% *  0.3221% (0.84   0.02   0.02) =   0.009%
          HA    VAL   42 - HN    THR   39  11.02 +/- 0.79   2.959% *  0.1315% (0.34   0.02   0.02) =   0.009%
          HA    PRO   58 - HN    THR   39  20.98 +/- 2.85   0.500% *  0.3088% (0.80   0.02   0.02) =   0.004%
          HA    THR   46 - HN    THR   39  22.60 +/- 1.19   0.338% *  0.3648% (0.95   0.02   0.02) =   0.003%
    Distance limit 4.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 3.88, residual support = 37.2:
      O   HB    THR   39 - HN    THR   39   2.89 +/- 0.52  64.522% * 90.9888% (0.41  10.0   3.93  38.68) =  95.812%  kept
          HB3   SER   37 - HN    THR   39   4.20 +/- 1.14  31.478% *  8.1297% (0.28   1.0   2.64   4.43) =   4.176%  kept
          HA    GLN   30 - HN    THR   39   9.29 +/- 2.04   2.774% *  0.2094% (0.95   1.0   0.02   0.02) =   0.009%
          QB    SER   13 - HN    THR   39  14.40 +/- 2.81   0.787% *  0.0992% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    THR   39  25.49 +/- 5.10   0.148% *  0.1691% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  24.65 +/- 2.11   0.127% *  0.1253% (0.57   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.03 +/- 2.68   0.071% *  0.2169% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  27.75 +/- 4.06   0.092% *  0.0615% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.673, support = 4.07, residual support = 28.8:
          QG2   THR   39 - HN    THR   39   2.71 +/- 0.65  60.089% * 20.9476% (0.49   3.74  38.68) =  51.051%  kept
          HG3   LYS+  38 - HN    THR   39   5.32 +/- 0.64  12.017% * 56.1284% (0.76   6.37  30.35) =  27.357%  kept
          QB    ALA   34 - HN    THR   39   4.59 +/- 1.35  23.804% * 22.3537% (1.00   1.94   3.39) =  21.581%  kept
          HG13  ILE   19 - HN    THR   39  10.68 +/- 2.91   3.260% *  0.0456% (0.20   0.02   0.02) =   0.006%
          QG2   THR   23 - HN    THR   39  16.67 +/- 1.66   0.395% *  0.1999% (0.87   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    THR   39  19.11 +/- 2.83   0.247% *  0.2127% (0.92   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    THR   39  22.16 +/- 2.02   0.187% *  0.1122% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 6.64, residual support = 221.2:
      O   HA    LYS+  38 - HN    LYS+  38   2.40 +/- 0.27  88.610% * 99.7734% (0.80  10.0   6.64 221.19) =  99.991%  kept
          HA    GLU- 100 - HN    LYS+  38  10.37 +/- 6.98  10.781% *  0.0705% (0.57   1.0   0.02   0.02) =   0.009%
          HD2   PRO   58 - HN    LYS+  38  24.69 +/- 3.22   0.197% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.00 +/- 0.63   0.282% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  26.11 +/- 6.05   0.131% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 221.2:
      O   HB2   LYS+  38 - HN    LYS+  38   2.95 +/- 0.41  91.850% * 99.7624% (1.00  10.0   5.95 221.19) =  99.997%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.61 +/- 1.68   1.054% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.41 +/- 1.68   1.744% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    LYS+  38  11.73 +/- 2.70   2.839% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    LYS+  38  13.61 +/- 3.05   1.978% *  0.0249% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    LYS+  38  18.87 +/- 1.51   0.436% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  30.94 +/- 3.80   0.099% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 221.2:
      O   HB3   LYS+  38 - HN    LYS+  38   3.85 +/- 0.27  73.897% * 99.4497% (0.90  10.0   5.20 221.19) =  99.985%  kept
          HB3   GLN   30 - HN    LYS+  38  10.41 +/- 1.20   4.998% *  0.1099% (0.99   1.0   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LYS+  38   6.59 +/- 0.78  18.175% *  0.0219% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    LYS+  38  23.67 +/- 3.96   0.599% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+  38  24.72 +/- 3.18   0.336% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  18.61 +/- 1.38   0.715% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  26.93 +/- 2.72   0.242% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  21.46 +/- 2.63   0.512% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.65 +/- 3.89   0.360% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  30.86 +/- 3.73   0.166% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.85, residual support = 221.1:
          HG2   LYS+  38 - HN    LYS+  38   3.20 +/- 0.40  88.361% * 98.4026% (0.65   5.85 221.19) =  99.969%  kept
          HG2   LYS+  99 - HN    LYS+  38  11.61 +/- 5.85   6.908% *  0.2735% (0.53   0.02   0.02) =   0.022%
          HB2   LEU   31 - HN    LYS+  38  10.10 +/- 0.68   3.166% *  0.1157% (0.22   0.02   0.02) =   0.004%
          QG2   THR   77 - HN    LYS+  38  19.30 +/- 1.82   0.468% *  0.4917% (0.95   0.02   0.02) =   0.003%
          QB    ALA   88 - HN    LYS+  38  26.16 +/- 4.33   0.245% *  0.4917% (0.95   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    LYS+  38  16.94 +/- 1.04   0.672% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  27.93 +/- 3.36   0.179% *  0.1445% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 30.3:
          HB2   LYS+  38 - HN    THR   39   4.04 +/- 0.55  73.684% * 99.2181% (1.00   6.04  30.35) =  99.967%  kept
          HB    VAL   70 - HN    THR   39  10.06 +/- 2.02  12.164% *  0.0650% (0.20   0.02   0.02) =   0.011%
          QG    GLN   17 - HN    THR   39  12.40 +/- 3.42   7.923% *  0.0819% (0.25   0.02   0.02) =   0.009%
          HG3   GLU-  29 - HN    THR   39  15.26 +/- 2.16   1.855% *  0.2384% (0.73   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    THR   39  13.06 +/- 2.32   3.268% *  0.1120% (0.34   0.02   0.02) =   0.005%
          HB2   GLU-  25 - HN    THR   39  19.06 +/- 2.10   0.887% *  0.1120% (0.34   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    THR   39  29.82 +/- 3.30   0.219% *  0.1727% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.12 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 = 29.4:
      O   HB3   SER   37 - HN    SER   37   2.91 +/- 0.56  76.211% * 93.7488% (0.99  10.0   3.80  29.70) =  98.772%  kept
          HB    THR   39 - HN    SER   37   5.85 +/- 0.81  15.045% *  5.8815% (0.99   1.0   1.25   4.43) =   1.223%  kept
          QB    SER   13 - HN    SER   37  14.04 +/- 2.87   1.491% *  0.0927% (0.98   1.0   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    SER   37   7.81 +/- 1.12   6.294% *  0.0187% (0.20   1.0   0.02   0.02) =   0.002%
          HB    THR  118 - HN    SER   37  20.32 +/- 4.63   0.586% *  0.0687% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    SER   37  26.62 +/- 5.64   0.191% *  0.0723% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  29.42 +/- 4.27   0.109% *  0.0937% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  31.90 +/- 3.14   0.074% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.998, support = 3.71, residual support = 18.9:
          QB    GLU-  36 - HN    SER   37   3.37 +/- 0.53  81.876% * 97.0978% (1.00   3.71  18.96) =  99.767%  kept
          HG3   GLU- 100 - HN    SER   37  12.08 +/- 6.77  12.360% *  1.3165% (0.18   0.29   0.02) =   0.204%  kept
          HB3   GLU-  29 - HN    SER   37  10.96 +/- 1.39   3.408% *  0.4536% (0.87   0.02   0.02) =   0.019%
          HG3   GLU-  29 - HN    SER   37  13.19 +/- 1.43   1.852% *  0.2545% (0.49   0.02   0.02) =   0.006%
          HB3   GLU-  79 - HN    SER   37  23.14 +/- 3.10   0.372% *  0.5183% (0.99   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    SER   37  31.40 +/- 3.83   0.132% *  0.3592% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.87, residual support = 21.0:
          HG2   LYS+  38 - HN    SER   37   4.77 +/- 0.46  83.824% * 97.5107% (0.38   4.88  21.02) =  99.922%  kept
          HG2   LYS+  99 - HN    SER   37  12.76 +/- 5.71  11.568% *  0.2962% (0.28   0.02   0.02) =   0.042%
          QG2   THR   77 - HN    SER   37  19.63 +/- 1.95   1.518% *  1.0560% (0.99   0.02   0.02) =   0.020%
          QG2   THR   23 - HN    SER   37  16.00 +/- 0.96   2.442% *  0.3634% (0.34   0.02   0.02) =   0.011%
          QB    ALA   88 - HN    SER   37  26.64 +/- 4.17   0.648% *  0.7737% (0.73   0.02   0.02) =   0.006%
    Distance limit 4.67 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.04, residual support = 52.1:
          HB2   ASN   35 - HN    GLU-  36   3.47 +/- 0.55  74.648% * 97.9468% (0.65   6.04  52.16) =  99.848%  kept
          QE    LYS+  33 - HN    GLU-  36   5.89 +/- 0.93  22.148% *  0.4346% (0.87   0.02   0.02) =   0.131%  kept
          HB2   ASN   28 - HN    GLU-  36  12.87 +/- 0.90   1.780% *  0.4739% (0.95   0.02   0.02) =   0.012%
          QE    LYS+  65 - HN    GLU-  36  19.80 +/- 3.77   0.842% *  0.4999% (1.00   0.02   0.02) =   0.006%
          HB2   ASP-  86 - HN    GLU-  36  27.87 +/- 6.76   0.360% *  0.4739% (0.95   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    GLU-  36  26.02 +/- 2.35   0.221% *  0.1709% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.04 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   3.41 +/- 0.51  97.419% * 99.4313% (0.97   4.82  86.28) =  99.994%  kept
          HG3   MET   96 - HN    GLU-  36  18.15 +/- 2.69   0.871% *  0.3423% (0.80   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    GLU-  36  21.40 +/- 4.17   1.325% *  0.1604% (0.38   0.02   0.02) =   0.002%
          HG3   GLN  116 - HN    GLU-  36  26.80 +/- 4.05   0.385% *  0.0660% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.3, residual support = 86.3:
      O   QB    GLU-  36 - HN    GLU-  36   2.29 +/- 0.18  94.593% * 99.6951% (0.90  10.0   7.30  86.28) =  99.997%  kept
          HG3   GLU- 100 - HN    GLU-  36  12.44 +/- 6.33   2.991% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  36  10.03 +/- 1.15   1.324% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  36  12.15 +/- 1.13   0.739% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  23.32 +/- 2.73   0.106% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.87 +/- 0.64   0.205% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  31.64 +/- 3.87   0.042% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.82, residual support = 86.2:
          HG3   GLU-  36 - HN    GLU-  36   3.41 +/- 0.70  85.228% * 97.3056% (0.65   4.82  86.28) =  99.954%  kept
          QG    GLU-  15 - HN    GLU-  36  12.33 +/- 3.33   4.791% *  0.2798% (0.45   0.02   0.02) =   0.016%
          QB    MET   11 - HN    GLU-  36  18.18 +/- 3.43   1.389% *  0.5597% (0.90   0.02   0.02) =   0.009%
          QG    GLU-  14 - HN    GLU-  36  13.77 +/- 2.78   2.790% *  0.1926% (0.31   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    GLU-  36  11.96 +/- 1.39   3.310% *  0.1556% (0.25   0.02   0.02) =   0.006%
          QG    GLU- 114 - HN    GLU-  36  22.94 +/- 3.30   0.626% *  0.3533% (0.57   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    GLU-  36  19.05 +/- 1.96   0.830% *  0.2129% (0.34   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    GLU-  36  28.29 +/- 3.54   0.295% *  0.4037% (0.65   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    GLU-  36  23.51 +/- 2.38   0.351% *  0.3038% (0.49   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  28.16 +/- 3.52   0.222% *  0.1235% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.08 +/- 3.35   0.170% *  0.1093% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.472, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  14.97 +/- 1.77  39.812% * 42.5614% (0.57   0.02   0.02) =  58.728%  kept
          HA2   GLY  101 - HD22  ASN   35  12.83 +/- 7.86  49.519% * 14.8773% (0.20   0.02   0.02) =  25.533%  kept
          HD2   PRO   93 - HD22  ASN   35  26.00 +/- 3.64  10.669% * 42.5614% (0.57   0.02   0.02) =  15.738%  kept
    Distance limit 4.96 A violated in 15 structures by 5.18 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 3.59, residual support = 54.8:
      O   HB2   ASN   35 - HD22  ASN   35   3.78 +/- 0.44  85.387% * 98.5950% (0.76  10.0   3.59  54.84) =  99.895%  kept
          QE    LYS+  33 - HD22  ASN   35   9.63 +/- 1.29   7.992% *  1.0085% (0.76   1.0   0.20   4.80) =   0.096%
          QE    LYS+  65 - HD22  ASN   35  20.74 +/- 5.51   3.061% *  0.1245% (0.96   1.0   0.02   0.02) =   0.005%
          HB2   ASN   28 - HD22  ASN   35  13.11 +/- 1.88   2.633% *  0.1119% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HD22  ASN   35  26.69 +/- 7.21   0.537% *  0.1279% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   35  25.54 +/- 3.62   0.391% *  0.0322% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.735, support = 1.61, residual support = 3.83:
          HA    GLN   32 - HD21  ASN   35   4.37 +/- 1.38  50.057% * 39.8854% (0.76   1.35   3.33) =  64.357%  kept
          HA    LYS+  33 - HD21  ASN   35   6.20 +/- 1.04  19.585% * 55.6996% (0.69   2.10   4.80) =  35.165%  kept
          HA    VAL   18 - HD21  ASN   35  15.74 +/- 3.82  10.765% *  0.6709% (0.87   0.02   0.02) =   0.233%  kept
          HA    VAL   70 - HD21  ASN   35  13.25 +/- 4.50  13.573% *  0.2903% (0.38   0.02   0.02) =   0.127%  kept
          HA    GLU-  29 - HD21  ASN   35   9.66 +/- 1.31   4.362% *  0.6460% (0.83   0.02   0.02) =   0.091%
          HB2   SER   82 - HD21  ASN   35  25.92 +/- 6.21   0.391% *  0.7140% (0.92   0.02   0.02) =   0.009%
          HA    GLN  116 - HD21  ASN   35  24.44 +/- 5.22   0.624% *  0.2903% (0.38   0.02   0.02) =   0.006%
          HA    SER   48 - HD21  ASN   35  27.92 +/- 4.29   0.233% *  0.7464% (0.96   0.02   0.02) =   0.006%
          HA    ALA   88 - HD21  ASN   35  29.94 +/- 5.62   0.216% *  0.6193% (0.80   0.02   0.02) =   0.004%
          HD2   PRO   52 - HD21  ASN   35  30.30 +/- 4.55   0.194% *  0.4379% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.73 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 = 0.609, support = 3.57, residual support = 54.4:
      O   HB2   ASN   35 - HD21  ASN   35   3.12 +/- 0.49  87.534% * 91.5241% (0.61  10.0   3.59  54.84) =  99.127%  kept
          QE    LYS+  33 - HD21  ASN   35   8.67 +/- 1.44   8.776% *  7.9835% (0.90   1.0   1.18   4.80) =   0.867%  kept
          HB2   ASN   28 - HD21  ASN   35  12.37 +/- 1.44   1.831% *  0.1456% (0.96   1.0   0.02   0.02) =   0.003%
          QE    LYS+  65 - HD21  ASN   35  20.51 +/- 5.02   1.247% *  0.1509% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HD21  ASN   35  26.72 +/- 7.19   0.384% *  0.1393% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD21  ASN   35  25.44 +/- 3.16   0.228% *  0.0566% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.658, support = 4.27, residual support = 42.3:
      O   HA    GLN   32 - HN    GLN   32   2.80 +/- 0.07  60.039% * 74.3499% (0.65  10.0   4.30  44.29) =  93.821%  kept
          HA    LYS+  33 - HN    GLN   32   5.14 +/- 0.16   9.893% * 22.5502% (0.80   1.0   4.90  16.14) =   4.689%  kept
          HA    GLU-  29 - HN    GLN   32   3.67 +/- 0.32  27.907% *  2.5332% (0.92   1.0   0.48   0.02) =   1.486%  kept
          HA    VAL   18 - HN    GLN   32  13.18 +/- 1.43   0.678% *  0.1087% (0.95   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   32  23.40 +/- 7.28   0.374% *  0.1127% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  13.86 +/- 2.12   0.685% *  0.0559% (0.49   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   32  26.15 +/- 3.17   0.095% *  0.1031% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  23.97 +/- 4.56   0.163% *  0.0559% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  27.87 +/- 5.65   0.100% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.64 +/- 3.13   0.065% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.2, residual support = 152.9:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.02  68.973% * 98.8358% (0.87  10.0   6.22 153.21) =  99.769%  kept
          HA    GLU-  29 - HN    LYS+  33   4.60 +/- 0.91  22.319% *  0.6825% (0.73   1.0   0.16   0.02) =   0.223%  kept
          HB2   SER   37 - HN    LYS+  33   7.32 +/- 1.03   5.269% *  0.0555% (0.49   1.0   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    LYS+  33  12.93 +/- 2.10   1.139% *  0.1139% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    LYS+  33  12.41 +/- 1.42   1.045% *  0.0783% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LYS+  33  24.00 +/- 4.31   0.182% *  0.1139% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  24.59 +/- 6.79   0.290% *  0.0691% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  14.49 +/- 2.46   0.686% *  0.0225% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  27.00 +/- 2.59   0.096% *  0.0284% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.324, support = 4.06, residual support = 24.7:
      O   HA    ASN   28 - HN    GLU-  29   3.60 +/- 0.05  34.353% * 71.5529% (0.18  10.0   5.02  32.02) =  76.592%  kept
          HA    THR   26 - HN    GLU-  29   3.33 +/- 0.14  43.202% * 14.1788% (0.95   1.0   0.73   0.72) =  19.087%  kept
          HA    GLU-  25 - HN    GLU-  29   4.89 +/- 0.51  15.073% *  8.5468% (0.22   1.0   1.88   0.02) =   4.014%  kept
          HA    ALA   34 - HN    GLU-  29   9.78 +/- 0.94   1.879% *  4.7289% (0.31   1.0   0.75   0.56) =   0.277%  kept
          HA    ILE   19 - HN    GLU-  29  10.38 +/- 2.23   4.360% *  0.1680% (0.41   1.0   0.02   0.02) =   0.023%
          HA1   GLY  101 - HN    GLU-  29  17.14 +/- 6.24   0.633% *  0.1989% (0.49   1.0   0.02   0.02) =   0.004%
          HA    CYS   53 - HN    GLU-  29  25.59 +/- 2.86   0.122% *  0.2806% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    GLU-  29  26.75 +/- 4.45   0.130% *  0.2643% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  23.17 +/- 4.30   0.247% *  0.0809% (0.20   1.0   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.47, residual support = 105.6:
      O   HB2   ASN   28 - HD22  ASN   28   3.21 +/- 0.09  87.323% * 99.6000% (0.95  10.0   4.47 105.59) =  99.987%  kept
          HB2   ASP-  86 - HD22  ASN   28  20.53 +/- 8.42   5.431% *  0.0996% (0.95   1.0   0.02   0.02) =   0.006%
          QE    LYS+  33 - HD22  ASN   28   9.91 +/- 1.27   3.628% *  0.0913% (0.87   1.0   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD22  ASN   28  17.42 +/- 3.65   1.457% *  0.1051% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HD22  ASN   28  13.12 +/- 1.51   1.533% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  18.64 +/- 3.81   0.630% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.11, residual support = 159.5:
      O   HG2   GLN   30 - HE21  GLN   30   3.93 +/- 0.20  90.077% * 96.3028% (0.61  10.0   4.12 159.91) =  99.714%  kept
          HB3   ASN   28 - HE21  GLN   30   9.87 +/- 1.17   6.746% *  3.6694% (0.84   1.0   0.55  16.37) =   0.285%  kept
          QE    LYS+ 121 - HE21  GLN   30  18.27 +/- 5.22   3.177% *  0.0278% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.18, residual support = 159.6:
      O   HG2   GLN   30 - HE22  GLN   30   3.13 +/- 0.40  93.629% * 96.3028% (0.61  10.0   4.19 159.91) =  99.792%  kept
          HB3   ASN   28 - HE22  GLN   30   8.72 +/- 0.98   5.102% *  3.6694% (0.84   1.0   0.55  16.37) =   0.207%  kept
          QE    LYS+ 121 - HE22  GLN   30  18.11 +/- 5.06   1.269% *  0.0278% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 105.6:
      O   HB3   ASN   28 - HD22  ASN   28   3.33 +/- 0.09  85.034% * 99.7665% (0.90  10.0   4.12 105.59) =  99.984%  kept
          HG2   GLN   30 - HD22  ASN   28   7.32 +/- 0.63   8.806% *  0.1110% (1.00   1.0   0.02  16.37) =   0.012%
          QE    LYS+ 121 - HD22  ASN   28  20.28 +/- 5.93   3.823% *  0.0808% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   HIS  122 - HD22  ASN   28  20.69 +/- 6.49   2.337% *  0.0418% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.66, residual support = 14.7:
          QG2   VAL   24 - HD22  ASN   28   3.09 +/- 0.28  95.013% * 97.9273% (0.97   1.66  14.76) =  99.956%  kept
          HG    LEU   63 - HD22  ASN   28  17.23 +/- 4.35   2.995% *  1.0632% (0.87   0.02   0.02) =   0.034%
          QG1   VAL  107 - HD22  ASN   28  16.66 +/- 3.98   1.655% *  0.4600% (0.38   0.02   0.02) =   0.008%
          HG3   LYS+ 112 - HD22  ASN   28  24.61 +/- 4.89   0.338% *  0.5495% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.95 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 = 6.08, residual support = 91.4:
      O   HA    GLU-  29 - HN    GLU-  29   2.80 +/- 0.04  88.483% * 95.4293% (0.84  10.0   6.08  91.53) =  99.853%  kept
          HA    LYS+  33 - HN    GLU-  29   8.84 +/- 0.70   2.958% *  4.0528% (0.95   1.0   0.75   0.02) =   0.142%  kept
          HA    VAL   18 - HN    GLU-  29  12.94 +/- 1.70   1.274% *  0.0915% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLU-  29  22.12 +/- 8.46   0.957% *  0.0830% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.93 +/- 0.39   3.943% *  0.0176% (0.15   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  16.10 +/- 1.81   0.539% *  0.1120% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  12.42 +/- 1.44   1.204% *  0.0429% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLU-  29  24.89 +/- 5.08   0.287% *  0.1120% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  25.56 +/- 3.83   0.189% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  26.99 +/- 5.90   0.167% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.963, support = 6.01, residual support = 31.2:
          HB2   ASN   28 - HN    GLU-  29   2.72 +/- 0.45  85.329% * 83.9969% (0.97   6.13  32.02) =  97.563%  kept
          QE    LYS+  33 - HN    GLU-  29   7.11 +/- 1.43  11.755% * 15.1789% (0.90   1.19   0.02) =   2.429%  kept
          QE    LYS+  65 - HN    GLU-  29  18.42 +/- 3.47   1.029% *  0.2837% (1.00   0.02   0.02) =   0.004%
          HB2   ASN   35 - HN    GLU-  29  12.07 +/- 0.98   1.290% *  0.1721% (0.61   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HN    GLU-  29  23.93 +/- 8.16   0.362% *  0.2619% (0.92   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  21.46 +/- 4.00   0.235% *  0.1065% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.712, support = 5.49, residual support = 30.4:
          HB3   ASN   28 - HN    GLU-  29   3.45 +/- 0.26  66.751% * 46.9893% (0.65   5.77  32.02) =  70.390%  kept
          HG2   GLN   30 - HN    GLU-  29   5.08 +/- 0.62  25.043% * 52.6097% (0.87   4.82  26.50) =  29.567%  kept
          QE    LYS+ 121 - HN    GLU-  29  21.13 +/- 5.91   7.253% *  0.2381% (0.95   0.02   0.02) =   0.039%
          HB3   HIS  122 - HN    GLU-  29  21.56 +/- 5.94   0.952% *  0.1629% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.32, residual support = 91.4:
          HG2   GLU-  29 - HN    GLU-  29   3.36 +/- 0.54  82.391% * 97.1386% (0.57   5.33  91.53) =  99.839%  kept
          QG    GLN   32 - HN    GLU-  29   7.08 +/- 0.88  14.866% *  0.7811% (0.28   0.09   0.02) =   0.145%  kept
          HB3   PHE   45 - HN    GLU-  29  19.80 +/- 3.20   0.534% *  0.6386% (0.99   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    GLU-  29  21.60 +/- 3.32   0.575% *  0.5382% (0.84   0.02   0.02) =   0.004%
          QE    LYS+ 112 - HN    GLU-  29  24.20 +/- 4.66   0.479% *  0.6386% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    GLU-  29  23.86 +/- 8.22   1.155% *  0.2649% (0.41   0.02   0.02) =   0.004%
    Distance limit 4.00 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 = 0.564, support = 5.44, residual support = 13.6:
          HA    ASN   28 - HN    GLN   30   3.92 +/- 0.20  37.822% * 60.2191% (0.45   6.75  16.37) =  75.606%  kept
          HA    THR   26 - HN    GLN   30   4.73 +/- 0.52  23.455% * 28.1061% (0.97   1.46   4.73) =  21.884%  kept
          HA    ALA   34 - HN    GLN   30   7.47 +/- 0.96   6.511% *  9.6523% (0.65   0.75   6.79) =   2.086%  kept
          HA1   GLY  101 - HN    LYS+  99   5.71 +/- 0.92  14.084% *  0.8188% (0.05   0.75   1.39) =   0.383%  kept
          HA    ILE   19 - HN    GLN   30   8.91 +/- 1.72   8.814% *  0.0614% (0.15   0.02  13.91) =   0.018%
          HA1   GLY  101 - HN    GLN   30  15.87 +/- 6.09   1.222% *  0.3323% (0.84   0.02   0.02) =   0.013%
          HA    GLU- 114 - HN    GLN   30  25.32 +/- 3.84   0.200% *  0.3764% (0.95   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    GLN   30  21.67 +/- 3.71   0.375% *  0.1937% (0.49   0.02   0.02) =   0.002%
          HA    ALA   34 - HN    LYS+  99  12.74 +/- 4.55   2.445% *  0.0169% (0.04   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLN   30  24.44 +/- 2.51   0.189% *  0.1357% (0.34   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  15.30 +/- 4.99   2.131% *  0.0117% (0.03   0.02   0.02) =   0.001%
          HA    THR   26 - HN    LYS+  99  19.34 +/- 5.47   0.810% *  0.0252% (0.06   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+  99  18.81 +/- 1.88   0.376% *  0.0247% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.77 +/- 2.12   0.547% *  0.0127% (0.03   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.35 +/- 4.64   0.714% *  0.0040% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  21.87 +/- 3.28   0.305% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 6.35, residual support = 26.4:
      O   HA    GLU-  29 - HN    GLN   30   3.49 +/- 0.03  64.262% * 94.9951% (1.00  10.0   6.38  26.50) =  99.440%  kept
          HA    LYS+  33 - HN    GLN   30   7.31 +/- 0.47   7.232% *  3.4995% (0.98   1.0   0.75   0.53) =   0.412%  kept
          HA    GLN   32 - HN    GLN   30   6.86 +/- 0.22   8.530% *  0.9915% (0.38   1.0   0.55   1.67) =   0.138%  kept
          HA    VAL   18 - HN    GLN   30  11.19 +/- 1.31   2.563% *  0.0944% (0.99   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    GLN   30  21.89 +/- 7.90   1.253% *  0.0919% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    GLN   30  13.81 +/- 1.66   1.224% *  0.0728% (0.76   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  10.31 +/- 1.47   3.251% *  0.0147% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLN   30  23.32 +/- 4.46   0.396% *  0.0728% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  24.69 +/- 3.20   0.240% *  0.0616% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  14.12 +/- 5.65   2.239% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  26.58 +/- 5.73   0.245% *  0.0391% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  15.66 +/- 4.18   1.074% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  17.14 +/- 4.85   0.961% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  17.26 +/- 4.49   0.792% *  0.0062% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  14.54 +/- 4.91   2.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  27.29 +/- 2.78   0.160% *  0.0212% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.55 +/- 5.82   0.373% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.54 +/- 2.80   0.447% *  0.0048% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  14.08 +/- 5.04   1.793% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  24.12 +/- 6.64   0.442% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  24.36 +/- 3.28   0.250% *  0.0040% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.28 +/- 4.05   0.272% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (3.84, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.41, residual support = 159.9:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.01  87.754% * 99.5516% (0.92  10.0   6.41 159.91) =  99.996%  kept
          HB    THR   39 - HN    GLN   30  11.97 +/- 2.67   1.841% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  21.68 +/- 7.99   0.913% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  10.22 +/- 1.54   2.309% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          QB    SER   13 - HN    GLN   30  15.42 +/- 3.21   1.373% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    GLN   30  23.65 +/- 2.73   0.197% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  28.77 +/- 2.74   0.096% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  12.21 +/- 4.94   2.144% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  25.09 +/- 4.77   0.189% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  15.46 +/- 4.49   0.878% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  14.86 +/- 4.76   1.007% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  22.23 +/- 5.74   0.283% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.80 +/- 4.08   0.157% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  22.20 +/- 3.42   0.281% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.54 +/- 4.06   0.277% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  22.68 +/- 5.17   0.299% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.984, support = 7.02, residual support = 140.3:
          HG2   GLN   30 - HN    GLN   30   3.22 +/- 0.49  68.627% * 63.8055% (1.00   7.40 159.91) =  86.328%  kept
          HB3   ASN   28 - HN    GLN   30   5.13 +/- 0.20  19.268% * 35.9701% (0.90   4.64  16.37) =  13.664%  kept
          QE    LYS+ 121 - HN    GLN   30  19.75 +/- 5.12   2.483% *  0.1255% (0.73   0.02   0.02) =   0.006%
          HB3   HIS  122 - HN    GLN   30  19.82 +/- 5.33   0.591% *  0.0649% (0.38   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    LYS+  99  16.24 +/- 5.05   2.458% *  0.0113% (0.07   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    LYS+  99  14.81 +/- 6.24   2.671% *  0.0082% (0.05   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.95 +/- 5.34   1.971% *  0.0102% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  17.47 +/- 7.83   1.932% *  0.0043% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.93, residual support = 159.0:
      O   HB3   GLN   30 - HN    GLN   30   2.39 +/- 0.43  71.735% * 95.1171% (0.69  10.0   6.96 159.91) =  99.451%  kept
          QB    LYS+  33 - HN    GLN   30   5.19 +/- 0.79   9.902% *  3.7707% (0.73   1.0   0.75   0.53) =   0.544%  kept
          HB3   LYS+  38 - HN    GLN   30  13.99 +/- 1.74   0.514% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   30  20.27 +/- 5.37   0.327% *  0.1201% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   5.83 +/- 0.64   7.167% *  0.0048% (0.03   1.0   0.02   0.70) =   0.001%
          HG3   PRO   68 - HN    GLN   30  19.55 +/- 2.67   0.375% *  0.0674% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  18.63 +/- 2.68   0.197% *  0.1242% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.60 +/- 4.14   0.276% *  0.0840% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  18.43 +/- 4.31   0.210% *  0.0729% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.70 +/- 2.85   0.113% *  0.1336% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  12.72 +/- 5.13   1.868% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.58 +/- 0.91   1.769% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.28 +/- 0.99   2.440% *  0.0055% (0.04   1.0   0.02   0.52) =   0.000%
          HB3   PRO   58 - HN    GLN   30  22.68 +/- 4.58   0.267% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.79 +/- 2.96   0.164% *  0.0729% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  26.57 +/- 4.33   0.103% *  0.1109% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.63 +/- 3.20   0.099% *  0.0784% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  14.61 +/- 4.49   0.772% *  0.0062% (0.05   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  14.30 +/- 3.78   0.583% *  0.0066% (0.05   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.72 +/- 2.25   0.176% *  0.0088% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.48 +/- 4.25   0.195% *  0.0079% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  19.38 +/- 5.13   0.292% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  25.42 +/- 3.66   0.108% *  0.0073% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.37 +/- 1.21   0.140% *  0.0048% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  25.43 +/- 2.94   0.093% *  0.0052% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.86 +/- 2.42   0.119% *  0.0031% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.805, support = 5.66, residual support = 50.4:
          HG    LEU   31 - HN    GLN   30   4.18 +/- 0.73  42.309% * 89.8731% (0.80   5.87  52.41) =  96.014%  kept
          QD2   LEU   73 - HN    GLN   30   7.27 +/- 2.44  16.733% *  9.3445% (0.92   0.53   3.11) =   3.948%  kept
          QG1   VAL   41 - HN    GLN   30   8.69 +/- 3.27   8.946% *  0.0954% (0.25   0.02   0.02) =   0.022%
          QD1   ILE   56 - HN    GLN   30  18.73 +/- 2.24   0.576% *  0.3816% (1.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LYS+  99   7.08 +/- 3.49  22.532% *  0.0063% (0.02   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - HN    GLN   30  21.84 +/- 6.03   0.594% *  0.2166% (0.57   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    LYS+  99  13.39 +/- 4.45   2.975% *  0.0201% (0.05   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LYS+  99  12.32 +/- 2.98   2.105% *  0.0232% (0.06   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LYS+  99  16.63 +/- 7.52   2.403% *  0.0142% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  16.38 +/- 1.08   0.827% *  0.0251% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.724, support = 1.99, residual support = 4.72:
          QG2   THR   26 - HN    GLN   30   4.36 +/- 0.34  52.827% * 94.2903% (0.73   2.00   4.73) =  99.724%  kept
          HB3   LEU   40 - HN    GLN   30  13.54 +/- 2.43   4.474% *  0.9429% (0.73   0.02   0.02) =   0.084%
          HB2   LYS+  74 - HN    GLN   30  12.99 +/- 2.34   3.370% *  1.2283% (0.95   0.02   0.02) =   0.083%
          HD2   LYS+ 121 - HN    GLN   30  21.31 +/- 5.61   1.826% *  0.7352% (0.57   0.02   0.02) =   0.027%
          HB3   LEU   40 - HN    LYS+  99  10.33 +/- 5.57  15.757% *  0.0619% (0.05   0.02   8.53) =   0.020%
          HG2   LYS+  65 - HN    GLN   30  18.18 +/- 3.26   1.143% *  0.8400% (0.65   0.02   0.02) =   0.019%
          QB    ALA  120 - HN    GLN   30  20.57 +/- 4.34   0.931% *  0.6320% (0.49   0.02   0.02) =   0.012%
          QD    LYS+  66 - HN    GLN   30  17.63 +/- 3.77   1.599% *  0.2891% (0.22   0.02   0.02) =   0.009%
          QG2   THR   26 - HN    LYS+  99  15.97 +/- 4.78   4.996% *  0.0619% (0.05   0.02   0.02) =   0.006%
          HG    LEU  115 - HN    GLN   30  22.57 +/- 3.84   0.480% *  0.6320% (0.49   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HN    LYS+  99  16.57 +/- 6.36   3.934% *  0.0483% (0.04   0.02   0.02) =   0.004%
          HB2   LYS+  74 - HN    LYS+  99  18.50 +/- 3.92   1.100% *  0.0807% (0.06   0.02   0.02) =   0.002%
          QD    LYS+  66 - HN    LYS+  99  18.99 +/- 5.11   4.466% *  0.0190% (0.01   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    LYS+  99  16.64 +/- 4.13   1.695% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  20.89 +/- 3.12   0.677% *  0.0552% (0.04   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  99  18.58 +/- 2.33   0.723% *  0.0415% (0.03   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.383, support = 6.41, residual support = 159.7:
      O   HB2   GLN   30 - HN    GLN   30   3.30 +/- 0.41  42.535% * 86.1892% (0.41  10.0   6.40 159.91) =  88.298%  kept
          HG3   GLN   30 - HN    GLN   30   3.50 +/- 0.76  39.741% * 12.0733% (0.18   1.0   6.58 159.91) =  11.556%  kept
          HB3   GLU- 100 - HN    LYS+  99   5.79 +/- 0.81   9.390% *  0.5993% (0.02   1.0   2.55  38.37) =   0.136%  kept
          HB3   GLU- 100 - HN    GLN   30  15.93 +/- 5.54   1.832% *  0.0715% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HN    GLN   30  15.06 +/- 2.95   0.766% *  0.1103% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    GLN   30  20.36 +/- 3.47   0.274% *  0.2023% (0.97   1.0   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLN   30  21.74 +/- 4.34   0.241% *  0.1187% (0.57   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLN   30  22.48 +/- 4.30   0.222% *  0.0862% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.20 +/- 3.57   0.118% *  0.1522% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  23.41 +/- 2.01   0.132% *  0.1356% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  23.27 +/- 4.17   0.179% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  29.14 +/- 2.81   0.080% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  14.33 +/- 4.45   1.302% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.31 +/- 1.11   0.440% *  0.0089% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  22.15 +/- 5.37   0.459% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.05 +/- 1.34   0.216% *  0.0133% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.75 +/- 4.90   1.177% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  19.02 +/- 4.12   0.326% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  25.73 +/- 3.44   0.132% *  0.0100% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.43 +/- 2.23   0.163% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.31 +/- 4.22   0.162% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.80 +/- 5.39   0.113% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.929, support = 5.52, residual support = 26.5:
          HB3   GLU-  29 - HN    GLN   30   3.87 +/- 0.24  57.867% * 43.2544% (0.90   5.15  26.50) =  60.842%  kept
          HG3   GLU-  29 - HN    GLN   30   5.04 +/- 0.40  28.662% * 56.1771% (0.98   6.11  26.50) =  39.138%  kept
          QB    GLU-  36 - HN    GLN   30   9.74 +/- 0.73   3.883% *  0.1137% (0.61   0.02   0.02) =   0.011%
          HB2   LYS+  38 - HN    GLN   30  13.34 +/- 1.47   1.573% *  0.1137% (0.61   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    GLN   30  18.09 +/- 4.56   0.944% *  0.0986% (0.53   0.02   0.02) =   0.002%
          HB2   GLN   90 - HN    GLN   30  26.59 +/- 4.41   0.254% *  0.1858% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  13.56 +/- 4.81   2.797% *  0.0075% (0.04   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LYS+  99  14.74 +/- 3.87   1.619% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.32 +/- 4.82   0.875% *  0.0110% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.42 +/- 5.19   0.795% *  0.0121% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  25.60 +/- 3.78   0.255% *  0.0122% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  21.35 +/- 2.99   0.475% *  0.0065% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.38, residual support = 91.5:
      O   HB2   GLU-  29 - HN    GLU-  29   2.44 +/- 0.44  97.053% * 99.4303% (0.76  10.0   5.38  91.53) =  99.997%  kept
          HG2   GLU- 100 - HN    GLU-  29  17.13 +/- 6.24   0.903% *  0.1042% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLU-  29  17.55 +/- 4.16   0.612% *  0.1129% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  29  21.60 +/- 4.78   0.273% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.93 +/- 3.87   0.493% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.24 +/- 3.41   0.141% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  22.70 +/- 5.03   0.287% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  24.12 +/- 4.40   0.239% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.76, support = 5.39, residual support = 91.4:
      O   HB3   GLU-  29 - HN    GLU-  29   3.32 +/- 0.43  41.339% * 67.0845% (0.65  10.0   4.89  91.53) =  63.827%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.17 +/- 0.41  49.576% * 31.5380% (0.97   1.0   6.30  91.53) =  35.986%  kept
          HB2   GLU-  25 - HN    GLU-  29   6.06 +/- 0.59   7.046% *  1.1367% (0.14   1.0   1.62   0.02) =   0.184%  kept
          HB2   LYS+  38 - HN    GLU-  29  15.37 +/- 1.65   0.451% *  0.0900% (0.87   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  11.16 +/- 0.85   1.122% *  0.0354% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  18.60 +/- 4.93   0.367% *  0.0288% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  27.07 +/- 4.50   0.099% *  0.0866% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.96, support = 3.32, residual support = 159.9:
      O   HG3   GLN   30 - HE21  GLN   30   3.94 +/- 0.21  36.509% * 85.9193% (0.99  10.0   3.20 159.91) =  83.741%  kept
          HB2   GLN   30 - HE21  GLN   30   3.69 +/- 0.56  44.746% * 13.5901% (0.80   1.0   3.92 159.91) =  16.234%  kept
          HB3   GLU- 100 - HE21  GLN   30  15.99 +/- 5.77   4.303% *  0.0752% (0.87   1.0   0.02   0.02) =   0.009%
          HB2   GLN   17 - HE21  GLN   30  10.27 +/- 2.63   5.331% *  0.0422% (0.49   1.0   0.02   0.02) =   0.006%
          QB    GLU-  15 - HE21  GLN   30  10.86 +/- 3.20   3.281% *  0.0422% (0.49   1.0   0.02   0.02) =   0.004%
          HB3   PRO   68 - HE21  GLN   30  15.77 +/- 2.57   1.321% *  0.0752% (0.87   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HE21  GLN   30  19.97 +/- 4.23   0.850% *  0.0694% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HE21  GLN   30  11.76 +/- 1.71   2.143% *  0.0268% (0.31   1.0   0.02   0.02) =   0.002%
          HB2   PRO   93 - HE21  GLN   30  18.51 +/- 3.48   0.935% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  22.28 +/- 1.78   0.208% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.92 +/- 3.42   0.183% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.94 +/- 3.10   0.190% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.345, support = 2.0, residual support = 13.1:
          QD1   ILE   19 - HE21  GLN   30   4.24 +/- 1.69  36.964% * 59.6853% (0.41   2.13  13.91) =  62.560%  kept
          QG2   ILE   19 - HE21  GLN   30   3.70 +/- 1.80  46.260% * 24.1600% (0.18   2.03  13.91) =  31.692%  kept
          QD2   LEU  104 - HE21  GLN   30  13.14 +/- 4.27  13.582% * 14.7235% (0.57   0.38   0.02) =   5.670%  kept
          QD1   LEU   98 - HE21  GLN   30  11.97 +/- 2.98   2.074% *  1.2211% (0.90   0.02   0.02) =   0.072%
          QG2   THR   46 - HE21  GLN   30  14.99 +/- 3.06   1.121% *  0.2101% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.334, support = 2.03, residual support = 13.1:
          QD1   ILE   19 - HE22  GLN   30   4.62 +/- 1.56  34.471% * 57.5944% (0.41   2.07  13.91) =  57.512%  kept
          QG2   ILE   19 - HE22  GLN   30   3.90 +/- 1.52  47.530% * 26.3761% (0.18   2.23  13.91) =  36.316%  kept
          QD2   LEU  104 - HE22  GLN   30  12.70 +/- 4.23  14.369% * 14.6100% (0.57   0.38   0.02) =   6.081%  kept
          QD1   LEU   98 - HE22  GLN   30  11.45 +/- 3.10   2.369% *  1.2112% (0.90   0.02   0.02) =   0.083%
          QG2   THR   46 - HE22  GLN   30  14.94 +/- 2.87   1.260% *  0.2084% (0.15   0.02   0.02) =   0.008%
    Distance limit 4.89 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 = 44.9:
      O   HA    LEU   31 - HN    GLN   32   3.60 +/- 0.03  99.322% * 99.9819% (0.97  10.0   5.92  44.89) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  20.26 +/- 3.08   0.678% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 4.47, residual support = 44.3:
          QG    GLN   32 - HN    GLN   32   3.52 +/- 0.62  85.146% * 98.9182% (0.99   4.47  44.29) =  99.978%  kept
          HB2   GLU- 100 - HN    GLN   32  14.59 +/- 5.27  11.582% *  0.0995% (0.22   0.02   0.02) =   0.014%
          QG    GLU-  79 - HN    GLN   32  18.25 +/- 3.30   1.034% *  0.3578% (0.80   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    GLN   32  20.55 +/- 2.91   0.588% *  0.3070% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  20.07 +/- 3.06   0.691% *  0.1243% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  23.87 +/- 4.67   0.639% *  0.1243% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  26.00 +/- 4.35   0.320% *  0.0690% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.47, residual support = 44.3:
      O   QB    GLN   32 - HN    GLN   32   2.19 +/- 0.15  97.181% * 99.6924% (0.90  10.0   4.47  44.29) =  99.997%  kept
          HG3   GLU- 100 - HN    GLN   32  14.15 +/- 5.66   1.857% *  0.1090% (0.98   1.0   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    GLN   32  12.10 +/- 0.48   0.587% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  19.60 +/- 3.24   0.209% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  20.16 +/- 3.49   0.166% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.734, support = 3.01, residual support = 6.35:
          HB3   GLN   30 - HN    GLN   32   5.22 +/- 0.26  35.507% * 73.5426% (0.99   2.52   1.67) =  67.538%  kept
          QB    LYS+  33 - HN    GLN   32   4.52 +/- 0.39  52.733% * 23.7021% (0.20   4.06  16.14) =  32.328%  kept
          HB3   LYS+  38 - HN    GLN   32  11.87 +/- 1.91   7.525% *  0.5290% (0.90   0.02   0.02) =   0.103%  kept
          HB3   PRO   58 - HN    GLN   32  23.83 +/- 4.74   0.619% *  0.5290% (0.90   0.02   0.02) =   0.008%
          HB2   MET   92 - HN    GLN   32  25.09 +/- 2.87   0.365% *  0.5847% (0.99   0.02   0.02) =   0.006%
          QB    LYS+ 106 - HN    GLN   32  18.62 +/- 2.79   0.871% *  0.2012% (0.34   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    GLN   32  24.72 +/- 2.94   0.379% *  0.4508% (0.76   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    GLN   32  21.75 +/- 4.91   0.834% *  0.1821% (0.31   0.02   0.02) =   0.004%
          HG3   MET   11 - HN    GLN   32  22.54 +/- 4.85   0.885% *  0.1313% (0.22   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    GLN   32  28.15 +/- 4.19   0.283% *  0.1471% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 6.07, residual support = 44.9:
          HB2   LEU   31 - HN    GLN   32   2.78 +/- 0.23  89.071% * 97.4317% (0.98   6.07  44.89) =  99.969%  kept
          HB2   LEU   63 - HN    GLN   32  17.35 +/- 4.02   2.433% *  0.3161% (0.97   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    GLN   32  14.71 +/- 4.92   2.427% *  0.2379% (0.73   0.02   0.02) =   0.007%
          HG2   LYS+  38 - HN    GLN   32  10.88 +/- 1.51   1.856% *  0.1987% (0.61   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    GLN   32  13.50 +/- 4.34   1.303% *  0.2119% (0.65   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    GLN   32  21.45 +/- 5.38   0.969% *  0.2503% (0.76   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    GLN   32  21.43 +/- 5.50   0.423% *  0.3269% (1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    GLN   32  17.47 +/- 2.07   0.420% *  0.2938% (0.90   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    GLN   32  21.64 +/- 3.25   0.413% *  0.1594% (0.49   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLN   32  20.67 +/- 4.39   0.358% *  0.1723% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLN   32  27.80 +/- 3.90   0.108% *  0.3099% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  23.97 +/- 4.86   0.219% *  0.0911% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.91, residual support = 44.9:
          HB3   LEU   31 - HN    GLN   32   3.91 +/- 0.25  87.132% * 98.9113% (0.98   5.92  44.89) =  99.973%  kept
          QG1   VAL   24 - HN    GLN   32  10.61 +/- 0.43   4.580% *  0.1931% (0.57   0.02   0.02) =   0.010%
          QB    ALA   20 - HN    GLN   32  11.82 +/- 1.44   4.181% *  0.1795% (0.53   0.02   0.02) =   0.009%
          HG13  ILE  119 - HN    GLN   32  21.89 +/- 4.46   1.057% *  0.3292% (0.97   0.02   0.02) =   0.004%
          HD3   LYS+ 112 - HN    GLN   32  27.12 +/- 4.97   0.504% *  0.2343% (0.69   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    GLN   32  17.76 +/- 2.71   1.232% *  0.0851% (0.25   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    GLN   32  21.80 +/- 5.86   1.313% *  0.0675% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.69, residual support = 16.1:
          QG    GLN   32 - HN    LYS+  33   3.96 +/- 0.72  96.396% * 98.7400% (0.84   4.69  16.14) =  99.988%  kept
          HB    VAL  107 - HN    LYS+  33  21.08 +/- 2.20   0.757% *  0.4650% (0.92   0.02   0.02) =   0.004%
          QG    GLU-  79 - HN    LYS+  33  18.99 +/- 2.96   1.317% *  0.2650% (0.53   0.02   0.02) =   0.004%
          HB3   PHE   45 - HN    LYS+  33  21.02 +/- 2.42   0.905% *  0.2650% (0.53   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    LYS+  33  24.28 +/- 4.54   0.625% *  0.2650% (0.53   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.71, residual support = 16.1:
          QB    GLN   32 - HN    LYS+  33   2.84 +/- 0.28  94.516% * 98.6320% (1.00   4.71  16.14) =  99.985%  kept
          HG3   GLU- 100 - HN    LYS+  33  13.88 +/- 5.70   2.149% *  0.3355% (0.80   0.02   0.02) =   0.008%
          HB    VAL   24 - HN    LYS+  33  13.52 +/- 0.36   0.950% *  0.4153% (0.99   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    LYS+  33  18.57 +/- 3.07   0.454% *  0.3868% (0.92   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    LYS+  33  14.60 +/- 2.85   1.641% *  0.0646% (0.15   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    LYS+  33  24.58 +/- 4.04   0.209% *  0.0829% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  31.16 +/- 2.81   0.081% *  0.0829% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 152.9:
      O   QB    LYS+  33 - HN    LYS+  33   2.28 +/- 0.25  87.451% * 97.0464% (0.97  10.0   6.16 153.21) =  99.780%  kept
          HB3   GLN   30 - HN    LYS+  33   5.30 +/- 0.43   8.741% *  2.1114% (0.38   1.0   1.12   0.53) =   0.217%  kept
          HB3   LYS+  38 - HN    LYS+  33  10.68 +/- 1.49   1.690% *  0.0569% (0.57   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LYS+  33  18.90 +/- 3.20   0.328% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  18.38 +/- 3.87   0.235% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  19.34 +/- 1.97   0.161% *  0.1003% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  22.80 +/- 4.39   0.150% *  0.1006% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.64 +/- 2.93   0.166% *  0.0902% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  23.29 +/- 5.65   0.595% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.15 +/- 2.81   0.088% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  29.36 +/- 3.85   0.055% *  0.0997% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  27.64 +/- 3.03   0.062% *  0.0872% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  23.94 +/- 4.51   0.160% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.10 +/- 2.61   0.074% *  0.0251% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  30.19 +/- 2.52   0.045% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 4.6, residual support = 153.2:
          HG2   LYS+  33 - HN    LYS+  33   3.24 +/- 0.47  99.151% * 98.6647% (0.61   4.60 153.21) =  99.994%  kept
          HG2   LYS+ 106 - HN    LYS+  33  21.10 +/- 2.86   0.485% *  0.6825% (0.97   0.02   0.02) =   0.003%
          QG    LYS+  81 - HN    LYS+  33  22.99 +/- 4.17   0.364% *  0.6528% (0.92   0.02   0.02) =   0.002%
    Distance limit 3.78 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 = 0.363, support = 5.48, residual support = 138.9:
          HG3   LYS+  33 - HN    LYS+  33   3.23 +/- 0.90  63.385% * 74.2240% (0.38   5.80 153.21) =  90.575%  kept
          HB2   LEU   31 - HN    LYS+  33   5.02 +/- 0.25  24.333% * 19.9097% (0.25   2.34   1.43) =   9.327%  kept
          HG    LEU   98 - HN    LYS+  33  13.91 +/- 3.77   2.158% *  0.5911% (0.87   0.02   0.02) =   0.025%
          HB3   LEU   73 - HN    LYS+  33  11.89 +/- 2.66   2.255% *  0.3585% (0.53   0.02   0.02) =   0.016%
          HB2   LEU   63 - HN    LYS+  33  17.30 +/- 3.51   2.053% *  0.3317% (0.49   0.02   0.02) =   0.013%
          HB    VAL   42 - HN    LYS+  33  13.54 +/- 1.51   1.335% *  0.3055% (0.45   0.02   0.02) =   0.008%
          QB    ALA  124 - HN    LYS+  33  20.92 +/- 5.41   0.684% *  0.5207% (0.76   0.02   0.02) =   0.007%
          HG3   LYS+ 102 - HN    LYS+  33  18.48 +/- 5.20   0.750% *  0.3858% (0.57   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    LYS+  33  20.23 +/- 2.91   0.438% *  0.5207% (0.76   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    LYS+  33  18.04 +/- 1.58   0.548% *  0.4133% (0.61   0.02   0.02) =   0.004%
          QB    ALA   84 - HN    LYS+  33  21.70 +/- 3.96   0.342% *  0.6446% (0.95   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LYS+  33  22.32 +/- 3.04   0.313% *  0.6576% (0.97   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LYS+  33  19.35 +/- 3.45   0.648% *  0.3055% (0.45   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    LYS+  33  22.41 +/- 5.17   0.459% *  0.2557% (0.38   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LYS+  33  27.36 +/- 4.42   0.163% *  0.4408% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  28.52 +/- 3.42   0.136% *  0.1348% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 1.17, residual support = 1.43:
          QD2   LEU   31 - HN    LYS+  33   5.20 +/- 0.22  93.878% * 95.1426% (0.65   1.17   1.43) =  99.833%  kept
          QG2   VAL   83 - HN    LYS+  33  19.55 +/- 4.97   3.958% *  2.4854% (0.99   0.02   0.02) =   0.110%  kept
          QD1   ILE   89 - HN    LYS+  33  21.67 +/- 4.39   2.163% *  2.3721% (0.95   0.02   0.02) =   0.057%
    Distance limit 4.73 A violated in 0 structures by 0.47 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.873, support = 2.75, residual support = 4.51:
          HA    LYS+  33 - HN    ASN   35   3.59 +/- 0.27  44.162% * 74.1090% (0.98   2.92   4.80) =  82.650%  kept
          HA    GLN   32 - HN    ASN   35   3.98 +/- 0.27  32.717% * 19.6974% (0.38   2.03   3.33) =  16.275%  kept
          HB2   SER   37 - HN    ASN   35   5.94 +/- 0.81  11.592% *  3.2083% (0.15   0.80   0.02) =   0.939%  kept
          HA    GLU-  29 - HN    ASN   35   8.20 +/- 0.70   3.970% *  0.5168% (1.00   0.02   0.02) =   0.052%
          HA    VAL   18 - HN    ASN   35  13.12 +/- 2.49   3.152% *  0.5134% (0.99   0.02   0.02) =   0.041%
          HA    VAL   70 - HN    ASN   35  11.34 +/- 2.80   3.425% *  0.3959% (0.76   0.02   0.02) =   0.034%
          HB2   SER   82 - HN    ASN   35  25.20 +/- 6.07   0.313% *  0.4999% (0.97   0.02   0.02) =   0.004%
          HA    GLN  116 - HN    ASN   35  23.08 +/- 4.08   0.326% *  0.3959% (0.76   0.02   0.02) =   0.003%
          HA    SER   48 - HN    ASN   35  26.98 +/- 2.55   0.127% *  0.3351% (0.65   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  29.40 +/- 5.10   0.119% *  0.2130% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  29.27 +/- 3.01   0.096% *  0.1153% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 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 +/- 0.12  80.935% * 98.5270% (0.97   3.96  52.16) =  99.957%  kept
          HA    ALA  124 - HN    ASN   35  23.53 +/- 6.18   3.305% *  0.4126% (0.80   0.02   0.02) =   0.017%
          HA    ASN   28 - HN    ASN   35   9.46 +/- 0.70  12.707% *  0.1020% (0.20   0.02   0.02) =   0.016%
          HA    LYS+  81 - HN    ASN   35  25.57 +/- 3.95   0.769% *  0.5142% (1.00   0.02   0.02) =   0.005%
          HA    ARG+  54 - HN    ASN   35  25.80 +/- 3.24   0.705% *  0.3540% (0.69   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ASN   35  21.45 +/- 3.60   1.579% *  0.0902% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.80 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.36, support = 5.61, residual support = 51.1:
      O   HB2   ASN   35 - HN    ASN   35   3.16 +/- 0.41  78.578% * 71.1420% (0.31  10.0   5.87  54.84) =  92.547%  kept
          QE    LYS+  33 - HN    ASN   35   6.02 +/- 0.68  16.034% * 28.0303% (1.00   1.0   2.44   4.80) =   7.441%  kept
          HB2   ASN   28 - HN    ASN   35  11.25 +/- 0.80   2.080% *  0.2224% (0.97   1.0   0.02   0.02) =   0.008%
          QE    LYS+  65 - HN    ASN   35  18.82 +/- 3.85   0.691% *  0.1999% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ASN   35  14.43 +/- 3.15   1.640% *  0.0404% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    ASN   35  26.08 +/- 6.98   0.356% *  0.1491% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   35  24.30 +/- 2.45   0.215% *  0.1583% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HN    ASN   35  20.25 +/- 2.52   0.407% *  0.0575% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 3.35, residual support = 20.1:
          QB    ALA   34 - HN    ASN   35   2.93 +/- 0.19  74.151% * 98.0184% (0.92   3.35  20.14) =  99.911%  kept
          QG2   THR   39 - HN    ASN   35   6.69 +/- 1.59  17.627% *  0.1957% (0.31   0.02   0.02) =   0.047%
          HG3   LYS+  38 - HN    ASN   35   7.57 +/- 0.96   6.753% *  0.3589% (0.57   0.02   0.02) =   0.033%
          QG2   THR   23 - HN    ASN   35  14.65 +/- 1.02   0.631% *  0.6214% (0.98   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    ASN   35  20.27 +/- 2.97   0.306% *  0.4845% (0.76   0.02   0.02) =   0.002%
          QG2   THR   77 - HN    ASN   35  18.40 +/- 1.87   0.338% *  0.1255% (0.20   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    ASN   35  22.30 +/- 2.27   0.195% *  0.1957% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.88, residual support = 105.6:
      O   HB2   ASN   28 - HD21  ASN   28   3.96 +/- 0.05  76.315% * 99.6076% (0.97  10.0   3.89 105.59) =  99.972%  kept
          HB2   ASP-  86 - HD21  ASN   28  19.90 +/- 8.52  13.813% *  0.0953% (0.92   1.0   0.02   0.02) =   0.017%
          QE    LYS+  33 - HD21  ASN   28  11.37 +/- 1.29   3.751% *  0.0926% (0.90   1.0   0.02   0.02) =   0.005%
          QE    LYS+  65 - HD21  ASN   28  17.86 +/- 3.91   3.158% *  0.1032% (1.00   1.0   0.02   0.02) =   0.004%
          HB2   ASN   35 - HD21  ASN   28  14.43 +/- 1.65   1.870% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HD21  ASN   28  18.22 +/- 3.87   1.093% *  0.0387% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.53, residual support = 105.3:
      O   HB3   ASN   28 - HD21  ASN   28   4.03 +/- 0.05  80.178% * 97.1985% (0.90  10.0   3.54 105.59) =  99.723%  kept
          HG2   GLN   30 - HD21  ASN   28   8.93 +/- 0.65   7.802% *  2.6821% (1.00   1.0   0.50  16.37) =   0.268%  kept
          QE    LYS+ 121 - HD21  ASN   28  20.89 +/- 6.29   5.224% *  0.0787% (0.73   1.0   0.02   0.02) =   0.005%
          HB3   HIS  122 - HD21  ASN   28  21.45 +/- 6.99   6.796% *  0.0407% (0.38   1.0   0.02   0.02) =   0.004%
    Distance limit 3.92 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.85, residual support = 14.8:
          QG2   VAL   24 - HD21  ASN   28   2.21 +/- 0.43  95.877% * 96.8937% (0.76   1.85  14.76) =  99.978%  kept
          HG    LEU   63 - HD21  ASN   28  18.01 +/- 4.38   0.947% *  1.2297% (0.90   0.02   0.02) =   0.013%
          HB2   LEU  104 - HD21  ASN   28  18.16 +/- 6.36   2.652% *  0.2116% (0.15   0.02   0.29) =   0.006%
          HG3   LYS+ 112 - HD21  ASN   28  24.67 +/- 5.23   0.158% *  1.3232% (0.97   0.02   0.02) =   0.002%
          QG2   VAL  108 - HD21  ASN   28  17.55 +/- 4.28   0.366% *  0.3419% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 51.0:
      O   HA    TRP   27 - HN    ASN   28   3.61 +/- 0.01  98.328% * 99.7755% (1.00  10.0   5.65  50.98) =  99.999%  kept
          HA    ALA   91 - HN    ASN   28  22.23 +/- 3.71   0.643% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ASN   28  21.93 +/- 4.14   0.733% *  0.0799% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASN   28  27.33 +/- 3.23   0.296% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 6.44, residual support = 14.8:
          HA    VAL   24 - HN    ASN   28   3.84 +/- 0.26  95.431% * 99.5218% (0.92   6.44  14.76) =  99.993%  kept
          HA    LYS+  38 - HN    ASN   28  15.14 +/- 1.45   1.943% *  0.1376% (0.41   0.02   0.02) =   0.003%
          HA    ALA   61 - HN    ASN   28  17.02 +/- 2.90   1.642% *  0.1376% (0.41   0.02   0.02) =   0.002%
          HD2   PRO   68 - HN    ASN   28  19.88 +/- 2.55   0.984% *  0.2030% (0.61   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 51.0:
          HB2   TRP   27 - HN    ASN   28   3.24 +/- 0.22  98.424% * 99.2742% (0.80   5.59  50.98) =  99.994%  kept
          HA    THR   77 - HN    ASN   28  16.98 +/- 4.21   1.061% *  0.3706% (0.84   0.02   0.02) =   0.004%
          HD2   PRO   93 - HN    ASN   28  21.88 +/- 3.44   0.515% *  0.3553% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.92, residual support = 105.6:
      O   HB2   ASN   28 - HN    ASN   28   2.52 +/- 0.35  92.178% * 99.6076% (0.97  10.0   6.92 105.59) =  99.992%  kept
          QE    LYS+  33 - HN    ASN   28   8.94 +/- 1.34   3.989% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HN    ASN   28  21.74 +/- 8.40   1.656% *  0.0953% (0.92   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    ASN   28  17.43 +/- 3.35   0.976% *  0.1032% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  13.44 +/- 1.23   0.835% *  0.0626% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    ASN   28  19.26 +/- 4.27   0.367% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.899, support = 6.46, residual support = 103.9:
      O   HB3   ASN   28 - HN    ASN   28   3.42 +/- 0.37  77.562% * 91.3648% (0.90  10.0   6.55 105.59) =  98.085%  kept
          HG2   GLN   30 - HN    ASN   28   6.00 +/- 0.61  16.187% *  8.5230% (1.00   1.0   1.68  16.37) =   1.910%  kept
          QE    LYS+ 121 - HN    ASN   28  20.76 +/- 5.97   5.065% *  0.0740% (0.73   1.0   0.02   0.02) =   0.005%
          HB3   HIS  122 - HN    ASN   28  21.07 +/- 6.06   1.186% *  0.0382% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.568, support = 2.41, residual support = 17.1:
          HB2   GLU-  25 - HN    ASN   28   5.61 +/- 0.18  42.862% * 53.5594% (0.90   1.06   3.89) =  53.000%  kept
          HG3   GLU-  29 - HN    ASN   28   5.48 +/- 0.51  46.422% * 43.6983% (0.20   3.93  32.02) =  46.833%  kept
          QG    GLN   17 - HN    ASN   28  14.54 +/- 2.55   3.463% *  0.8992% (0.80   0.02   0.02) =   0.072%
          HB    VAL   70 - HN    ASN   28  16.00 +/- 1.67   2.038% *  0.8154% (0.73   0.02   0.02) =   0.038%
          HB2   LYS+  38 - HN    ASN   28  16.55 +/- 1.55   1.896% *  0.6811% (0.61   0.02   0.02) =   0.030%
          HB2   MET   96 - HN    ASN   28  15.41 +/- 4.29   3.319% *  0.3466% (0.31   0.02   0.02) =   0.027%
    Distance limit 4.74 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.479, support = 3.65, residual support = 14.8:
          QG2   VAL   24 - HN    ASN   28   3.54 +/- 0.15  72.084% * 57.2771% (0.45   4.02  14.76) =  80.439%  kept
          QG1   VAL   24 - HN    ASN   28   5.13 +/- 0.24  24.088% * 41.6299% (0.61   2.16  14.76) =  19.537%  kept
          QG1   VAL  107 - HN    ASN   28  17.56 +/- 3.71   1.209% *  0.5871% (0.92   0.02   0.02) =   0.014%
          HG    LEU   63 - HN    ASN   28  17.63 +/- 4.14   2.318% *  0.1963% (0.31   0.02   0.02) =   0.009%
          HD3   LYS+ 112 - HN    ASN   28  25.95 +/- 4.99   0.301% *  0.3096% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.69 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 = 0.41, support = 2.37, residual support = 0.837:
          QD1   LEU   73 - HN    ASN   28   6.06 +/- 3.03  39.067% * 22.2048% (0.15   3.65   1.44) =  40.240%  kept
          QD2   LEU   80 - HN    ASN   28  13.84 +/- 6.71  19.125% * 37.1429% (0.45   2.10   0.60) =  32.952%  kept
          QD1   LEU  104 - HN    ASN   28  15.63 +/- 5.65  16.756% * 25.3824% (0.69   0.94   0.29) =  19.730%  kept
          QG1   VAL   83 - HN    ASN   28  15.58 +/- 6.53  10.309% * 13.3126% (1.00   0.34   0.02) =   6.366%  kept
          QD1   LEU   63 - HN    ASN   28  14.28 +/- 3.88  12.052% *  1.1867% (0.15   0.20   0.02) =   0.663%  kept
          QG2   ILE   89 - HN    ASN   28  18.12 +/- 4.24   1.306% *  0.4464% (0.57   0.02   0.02) =   0.027%
          QD2   LEU  115 - HN    ASN   28  18.75 +/- 3.92   1.385% *  0.3241% (0.41   0.02   0.02) =   0.021%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.04, residual support = 23.2:
          HA    VAL   24 - HN    TRP   27   3.04 +/- 0.14  95.029% * 99.0265% (0.99   3.04  23.23) =  99.993%  kept
          HA    LYS+  38 - HN    TRP   27  15.99 +/- 1.55   0.762% *  0.4770% (0.73   0.02   0.02) =   0.004%
          HA    ALA   61 - HN    TRP   27  16.27 +/- 2.67   0.948% *  0.1151% (0.18   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    TRP   27  19.42 +/- 2.02   0.467% *  0.2028% (0.31   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    ALA   91  20.08 +/- 4.37   0.789% *  0.0805% (0.12   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    ALA   91  23.60 +/- 4.30   0.876% *  0.0251% (0.04   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  15.98 +/- 2.58   0.952% *  0.0142% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.21 +/- 3.70   0.176% *  0.0589% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.38, residual support = 107.1:
      O   HB2   TRP   27 - HN    TRP   27   2.05 +/- 0.06  94.661% * 99.8160% (0.99  10.0   5.38 107.07) =  99.999%  kept
          HD2   PRO   93 - HN    TRP   27  21.52 +/- 3.49   0.299% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ALA   91   7.36 +/- 0.59   2.206% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  16.44 +/- 4.58   0.328% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.98 +/- 3.14   2.304% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  20.59 +/- 4.27   0.202% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 107.1:
      O   HB3   TRP   27 - HN    TRP   27   3.21 +/- 0.17  83.258% * 99.6559% (0.99  10.0   5.64 107.07) =  99.991%  kept
          QE    LYS+  99 - HN    TRP   27  16.49 +/- 5.69   7.947% *  0.0529% (0.53   1.0   0.02   0.02) =   0.005%
          HB2   PHE   97 - HN    TRP   27  18.42 +/- 5.22   1.885% *  0.0986% (0.98   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HN    TRP   27  19.27 +/- 4.33   0.570% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.72 +/- 2.78   0.699% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  16.65 +/- 2.54   0.940% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  19.53 +/- 5.27   0.745% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  15.28 +/- 2.55   1.054% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  20.23 +/- 4.31   0.556% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  14.26 +/- 2.20   1.163% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  19.40 +/- 2.28   0.417% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  23.32 +/- 2.20   0.231% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  25.90 +/- 4.23   0.228% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  22.46 +/- 3.53   0.306% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.704, residual support = 1.39:
          HB3   CYS   21 - HN    TRP   27   4.98 +/- 2.67  78.889% * 96.1406% (0.53   0.71   1.39) =  99.615%  kept
          HG2   MET   96 - HN    TRP   27  16.64 +/- 4.37   7.799% *  3.1359% (0.61   0.02   0.02) =   0.321%  kept
          HG2   MET   96 - HN    ALA   91  15.14 +/- 2.98   6.805% *  0.3875% (0.07   0.02   0.02) =   0.035%
          HB3   CYS   21 - HN    ALA   91  20.85 +/- 5.32   6.506% *  0.3361% (0.07   0.02   0.02) =   0.029%
    Distance limit 4.40 A violated in 7 structures by 1.43 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.45, residual support = 22.6:
          QG2   THR   26 - HN    TRP   27   3.41 +/- 0.46  77.029% * 94.6580% (0.98   4.46  22.66) =  99.822%  kept
          HB2   LYS+  74 - HN    TRP   27  11.82 +/- 2.91   3.040% *  3.3537% (0.80   0.19   0.02) =   0.140%  kept
          HD2   LYS+ 121 - HN    TRP   27  22.41 +/- 6.37   1.779% *  0.4325% (1.00   0.02   0.02) =   0.011%
          HG2   LYS+  65 - HN    TRP   27  17.65 +/- 3.33   1.333% *  0.4325% (1.00   0.02   0.02) =   0.008%
          HG    LEU  104 - HN    TRP   27  19.62 +/- 6.63   3.889% *  0.1205% (0.28   0.02   0.79) =   0.006%
          QD    LYS+  66 - HN    TRP   27  18.02 +/- 3.54   1.233% *  0.3313% (0.76   0.02   0.02) =   0.006%
          HB3   LYS+ 121 - HN    TRP   27  22.37 +/- 6.28   1.125% *  0.1205% (0.28   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    TRP   27  14.24 +/- 3.01   1.653% *  0.0759% (0.18   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    TRP   27  16.16 +/- 2.64   0.996% *  0.0858% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    ALA   91  19.46 +/- 4.50   1.567% *  0.0534% (0.12   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    ALA   91  16.57 +/- 2.50   1.145% *  0.0429% (0.10   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    ALA   91  20.85 +/- 3.49   0.583% *  0.0525% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.51 +/- 4.30   0.306% *  0.0858% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  21.05 +/- 3.29   0.533% *  0.0409% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  15.67 +/- 2.58   1.671% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  24.08 +/- 2.07   0.263% *  0.0534% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  16.13 +/- 2.77   0.928% *  0.0106% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  23.44 +/- 2.68   0.330% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  23.41 +/- 3.04   0.361% *  0.0106% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  24.49 +/- 1.82   0.238% *  0.0149% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.928, support = 3.07, residual support = 20.4:
          QD1   LEU   73 - HN    TRP   27   5.60 +/- 2.98  32.460% * 57.8449% (1.00   3.48  26.40) =  75.016%  kept
          QD2   LEU   80 - HN    TRP   27  13.50 +/- 7.07  16.742% * 27.6546% (0.76   2.17   3.03) =  18.498%  kept
          QD1   LEU  104 - HN    TRP   27  16.24 +/- 6.00  13.100% * 10.3230% (0.53   1.18   0.79) =   5.403%  kept
          QD1   LEU   63 - HN    TRP   27  14.04 +/- 3.43   7.397% *  3.2476% (1.00   0.20   0.02) =   0.960%  kept
          QG1   VAL   83 - HN    TRP   27  15.40 +/- 6.71   5.955% *  0.2097% (0.15   0.08   0.02) =   0.050%
          QD2   LEU   63 - HN    TRP   27  14.45 +/- 3.24   5.585% *  0.2024% (0.61   0.02   0.02) =   0.045%
          QG2   VAL   41 - HN    TRP   27  10.51 +/- 3.40   4.575% *  0.0452% (0.14   0.02   0.40) =   0.008%
          QD2   LEU  115 - HN    TRP   27  18.54 +/- 3.66   0.701% *  0.2672% (0.80   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    ALA   91  11.17 +/- 1.99   2.784% *  0.0315% (0.09   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    ALA   91  15.13 +/- 3.39   1.957% *  0.0411% (0.12   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    ALA   91  15.16 +/- 2.42   0.946% *  0.0411% (0.12   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    ALA   91  16.08 +/- 3.27   1.210% *  0.0250% (0.07   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    ALA   91  14.34 +/- 1.48   0.912% *  0.0330% (0.10   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91   9.38 +/- 1.54   4.605% *  0.0064% (0.02   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  19.97 +/- 2.31   0.355% *  0.0217% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.95 +/- 2.61   0.717% *  0.0056% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.902, support = 0.02, residual support = 0.679:
          QG2   VAL   75 - HN    TRP   27  10.17 +/- 3.18  39.125% * 43.3149% (0.95   0.02   0.86) =  58.626%  kept
          QG2   VAL   42 - HN    TRP   27  12.73 +/- 2.08  21.487% * 45.6877% (1.00   0.02   0.51) =  33.961%  kept
          QG2   VAL   75 - HN    ALA   91  11.26 +/- 2.45  27.548% *  5.3521% (0.12   0.02   0.02) =   5.101%  kept
          QG2   VAL   42 - HN    ALA   91  14.82 +/- 2.30  11.840% *  5.6453% (0.12   0.02   0.02) =   2.312%  kept
    Distance limit 4.60 A violated in 20 structures by 3.56 A, eliminated.
    Peak unassigned.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 106.9:
          HA    TRP   27 - HE1   TRP   27   6.37 +/- 0.10  84.279% * 98.3440% (1.00   2.70 107.07) =  99.886%  kept
          HA    VAL  107 - HE1   TRP   27  18.93 +/- 5.10   7.854% *  0.6099% (0.84   0.02   0.02) =   0.058%
          HA    ALA   91 - HE1   TRP   27  19.03 +/- 4.01   5.505% *  0.6907% (0.95   0.02   0.02) =   0.046%
          HA    PRO   52 - HE1   TRP   27  24.64 +/- 3.98   2.362% *  0.3554% (0.49   0.02   0.02) =   0.010%
    Distance limit 4.97 A violated in 1 structures by 1.40 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.876, support = 1.69, residual support = 18.0:
          QD1   LEU   73 - HE1   TRP   27   5.68 +/- 3.22  32.857% * 46.3730% (0.87   2.10  26.40) =  65.844%  kept
          QD2   LEU   80 - HE1   TRP   27  12.05 +/- 6.17  14.927% * 29.1130% (0.99   1.16   3.03) =  18.779%  kept
          QD1   LEU  104 - HE1   TRP   27  14.21 +/- 5.72  14.757% * 15.7540% (0.87   0.71   0.79) =  10.046%  kept
          QG1   VAL   83 - HE1   TRP   27  13.20 +/- 6.40  19.002% *  3.8084% (0.41   0.36   0.02) =   3.127%  kept
          QD1   LEU   63 - HE1   TRP   27  13.18 +/- 3.91  11.415% *  4.3028% (0.87   0.20   0.02) =   2.123%  kept
          QD2   LEU  115 - HE1   TRP   27  16.86 +/- 4.45   2.380% *  0.5074% (1.00   0.02   0.02) =   0.052%
          QD2   LEU   63 - HE1   TRP   27  13.92 +/- 3.58   4.662% *  0.1414% (0.28   0.02   0.02) =   0.028%
    Distance limit 4.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.432, support = 1.86, residual support = 20.8:
          QD2   LEU   31 - HE1   TRP   27   3.54 +/- 0.34  78.087% * 56.0861% (0.31   2.15  24.70) =  81.986%  kept
          QG2   VAL   43 - HE1   TRP   27   8.73 +/- 3.94  21.913% * 43.9139% (0.99   0.52   3.17) =  18.014%  kept
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.77, residual support = 32.1:
          HB2   GLU-  25 - HN    THR   26   2.91 +/- 0.24  85.577% * 98.9904% (0.90   5.77  32.09) =  99.982%  kept
          HG3   GLU-  29 - HN    THR   26   5.73 +/- 0.51  12.009% *  0.0757% (0.20   0.02   0.72) =   0.011%
          QG    GLN   17 - HN    THR   26  14.58 +/- 2.77   1.091% *  0.3062% (0.80   0.02   0.02) =   0.004%
          HB    VAL   70 - HN    THR   26  17.72 +/- 1.52   0.412% *  0.2777% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    THR   26  19.18 +/- 1.71   0.353% *  0.2319% (0.61   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  17.87 +/- 4.15   0.558% *  0.1180% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.565, support = 5.22, residual support = 32.0:
          HB3   GLU-  25 - HN    THR   26   3.50 +/- 0.29  71.041% * 95.4730% (0.57   5.23  32.09) =  99.841%  kept
          HG3   GLN   30 - HN    THR   26   7.58 +/- 1.07   9.555% *  0.5390% (0.84   0.02   4.73) =   0.076%
          HB2   GLN   30 - HN    THR   26   8.37 +/- 0.83   6.005% *  0.3395% (0.53   0.02   4.73) =   0.030%
          HB2   GLN   17 - HN    THR   26  15.27 +/- 2.90   1.948% *  0.4932% (0.76   0.02   0.02) =   0.014%
          HB    ILE   19 - HN    THR   26   9.68 +/- 1.69   6.234% *  0.1277% (0.20   0.02   0.02) =   0.012%
          HB3   GLU- 100 - HN    THR   26  20.55 +/- 6.20   1.302% *  0.3914% (0.61   0.02   0.02) =   0.007%
          QB    GLU-  15 - HN    THR   26  16.37 +/- 2.05   0.977% *  0.4932% (0.76   0.02   0.02) =   0.007%
          HB3   PRO   68 - HN    THR   26  22.48 +/- 3.03   0.421% *  0.6439% (1.00   0.02   0.02) =   0.004%
          HB    ILE  119 - HN    THR   26  24.52 +/- 5.16   0.620% *  0.3395% (0.53   0.02   0.02) =   0.003%
          HB2   LYS+ 111 - HN    THR   26  27.76 +/- 4.90   0.283% *  0.5390% (0.84   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    THR   26  23.62 +/- 4.34   0.637% *  0.1609% (0.25   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    THR   26  26.21 +/- 4.70   0.359% *  0.1609% (0.25   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  24.87 +/- 3.34   0.281% *  0.1992% (0.31   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR   26  22.74 +/- 2.72   0.338% *  0.0996% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 34.7:
          QG2   THR   26 - HN    THR   26   3.57 +/- 0.16  88.930% * 98.0816% (0.95   4.45  34.75) =  99.958%  kept
          HD2   LYS+ 121 - HN    THR   26  24.12 +/- 6.91   3.494% *  0.3891% (0.84   0.02   0.02) =   0.016%
          HB2   LYS+  74 - HN    THR   26  13.40 +/- 3.27   2.477% *  0.4617% (0.99   0.02   0.02) =   0.013%
          HG2   LYS+  65 - HN    THR   26  19.09 +/- 3.50   1.305% *  0.4177% (0.90   0.02   0.02) =   0.006%
          QD    LYS+  66 - HN    THR   26  19.36 +/- 3.72   1.211% *  0.2088% (0.45   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  18.30 +/- 2.64   0.898% *  0.2088% (0.45   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    THR   26  22.64 +/- 5.27   1.156% *  0.1161% (0.25   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    THR   26  24.05 +/- 4.53   0.530% *  0.1161% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.705, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26  10.09 +/- 0.41  31.216% * 11.0578% (0.69   0.02   0.02) =  34.064%  kept
          HG2   LYS+  99 - HN    THR   26  20.24 +/- 6.38  12.621% * 15.5357% (0.97   0.02   0.02) =  19.349%  kept
          HB3   LEU   80 - HN    THR   26  18.60 +/- 7.84  16.277% *  8.4695% (0.53   0.02   0.02) =  13.604%  kept
          QG2   THR   77 - HN    THR   26  15.79 +/- 3.05   9.949% *  7.8357% (0.49   0.02   0.02) =   7.693%  kept
          HG2   LYS+  38 - HN    THR   26  19.09 +/- 1.79   4.795% * 16.0623% (1.00   0.02   0.02) =   7.601%  kept
          QB    ALA   88 - HN    THR   26  22.49 +/- 5.07   4.110% * 13.9639% (0.87   0.02   0.02) =   5.663%  kept
          HB2   LEU   63 - HN    THR   26  18.58 +/- 3.03   7.497% *  6.6181% (0.41   0.02   0.02) =   4.897%  kept
          HB3   ASP-  44 - HN    THR   26  17.30 +/- 2.26   7.192% *  4.9686% (0.31   0.02   0.02) =   3.526%  kept
          HG2   LYS+ 111 - HN    THR   26  28.38 +/- 4.47   1.788% * 12.3026% (0.76   0.02   0.02) =   2.171%  kept
          QB    ALA  124 - HN    THR   26  23.91 +/- 5.41   4.554% *  3.1858% (0.20   0.02   0.02) =   1.432%  kept
    Distance limit 4.66 A violated in 20 structures by 4.43 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 = 34.1:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.03  97.854% * 99.8455% (0.92  10.0   5.65  34.13) =  99.999%  kept
          HA    ALA   61 - HN    GLU-  25  18.53 +/- 3.01   1.031% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  22.76 +/- 2.38   0.467% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.53 +/- 1.43   0.648% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 6.14, residual support = 127.4:
      O   HB2   GLU-  25 - HN    GLU-  25   2.97 +/- 0.37  88.013% * 99.5608% (0.61  10.0   6.14 127.37) =  99.992%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.49 +/- 0.59   5.978% *  0.0736% (0.45   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    GLU-  25   9.04 +/- 0.76   4.183% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  16.33 +/- 2.76   0.831% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  20.92 +/- 1.65   0.324% *  0.1472% (0.90   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    GLU-  25  19.11 +/- 1.58   0.380% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  24.32 +/- 5.00   0.291% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.86, residual support = 127.3:
      O   HB3   GLU-  25 - HN    GLU-  25   2.46 +/- 0.64  88.455% * 98.7761% (0.57  10.0   5.86 127.37) =  99.987%  kept
          HG3   GLN   30 - HN    GLU-  25   9.88 +/- 1.00   2.304% *  0.1457% (0.84   1.0   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    GLU-  25  10.29 +/- 0.79   1.819% *  0.0918% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    GLU-  25  17.24 +/- 3.09   1.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    GLU-  25  18.35 +/- 2.16   0.636% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLU-  25  25.04 +/- 5.80   0.793% *  0.0918% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLU-  25  21.40 +/- 6.17   0.660% *  0.1058% (0.61   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  25  11.61 +/- 1.80   1.690% *  0.0345% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    GLU-  25  24.10 +/- 3.30   0.319% *  0.1741% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    GLU-  25  27.48 +/- 5.54   0.335% *  0.1457% (0.84   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  25  23.53 +/- 5.00   0.895% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.94 +/- 5.22   0.581% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  24.32 +/- 4.11   0.246% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  24.26 +/- 2.98   0.265% *  0.0269% (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 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.33, residual support = 6.4:
          QG2   THR   23 - HN    GLU-  25   3.88 +/- 0.93  91.046% * 98.6428% (0.73   3.33   6.40) =  99.964%  kept
          QB    ALA   34 - HN    GLU-  25  11.66 +/- 0.89   4.528% *  0.3059% (0.38   0.02   0.02) =   0.015%
          QG2   THR   77 - HN    GLU-  25  15.26 +/- 3.07   2.261% *  0.5918% (0.73   0.02   0.02) =   0.015%
          QB    ALA   88 - HN    GLU-  25  21.38 +/- 5.27   0.926% *  0.2780% (0.34   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    GLU-  25  20.00 +/- 2.81   1.239% *  0.1815% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.54, residual support = 34.1:
          QG2   VAL   24 - HN    GLU-  25   3.49 +/- 0.16  96.344% * 99.2337% (0.97   4.54  34.13) =  99.990%  kept
          HG    LEU   63 - HN    GLU-  25  20.00 +/- 3.95   1.317% *  0.3931% (0.87   0.02   0.02) =   0.005%
          QG1   VAL  107 - HN    GLU-  25  19.34 +/- 4.25   1.959% *  0.1701% (0.38   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HN    GLU-  25  26.70 +/- 5.23   0.380% *  0.2032% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   3.73 +/- 0.71  97.235% * 99.4308% (0.97   5.27 127.37) =  99.996%  kept
          HB3   PHE   95 - HN    GLU-  25  20.18 +/- 4.04   0.909% *  0.1903% (0.49   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    GLU-  25  23.45 +/- 6.54   1.102% *  0.1207% (0.31   0.02   0.02) =   0.001%
          HG2   GLN  116 - HN    GLU-  25  27.20 +/- 5.74   0.395% *  0.1607% (0.41   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  25  27.76 +/- 5.70   0.359% *  0.0975% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 64.9:
      O   HA    VAL   24 - HN    VAL   24   2.77 +/- 0.04  98.709% * 99.8455% (0.92  10.0   4.34  64.94) =  99.999%  kept
          HA    ALA   61 - HN    VAL   24  16.91 +/- 3.12   0.760% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  21.83 +/- 2.53   0.249% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  19.87 +/- 1.23   0.282% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 64.9:
      O   HB    VAL   24 - HN    VAL   24   2.51 +/- 0.14  94.269% * 99.7135% (0.95  10.0   4.68  64.94) =  99.998%  kept
          QB    GLN   32 - HN    VAL   24  12.62 +/- 0.69   0.790% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    VAL   24  13.84 +/- 7.35   4.184% *  0.0163% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    VAL   24  21.53 +/- 6.13   0.560% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  23.45 +/- 3.50   0.196% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.8:
          QG2   THR   23 - HN    VAL   24   3.82 +/- 0.64  90.768% * 99.1628% (0.73   5.43  25.78) =  99.976%  kept
          QG2   THR   77 - HN    VAL   24  13.48 +/- 3.22   2.916% *  0.3651% (0.73   0.02   0.02) =   0.012%
          QB    ALA   34 - HN    VAL   24  11.95 +/- 1.00   3.732% *  0.1887% (0.38   0.02   0.02) =   0.008%
          QB    ALA   88 - HN    VAL   24  19.85 +/- 5.25   1.246% *  0.1715% (0.34   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    VAL   24  18.50 +/- 2.95   1.338% *  0.1119% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.863, support = 4.14, residual support = 64.9:
          QG1   VAL   24 - HN    VAL   24   2.02 +/- 0.20  83.950% * 77.1659% (0.90   4.09  64.94) =  95.215%  kept
          QG2   VAL   24 - HN    VAL   24   3.69 +/- 0.02  14.851% * 21.9021% (0.20   5.25  64.94) =   4.781%  kept
          QG1   VAL  107 - HN    VAL   24  18.18 +/- 4.35   0.452% *  0.4175% (0.99   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HN    VAL   24  25.54 +/- 5.40   0.124% *  0.3373% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    VAL   24  12.47 +/- 0.57   0.386% *  0.0938% (0.22   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    VAL   24  22.36 +/- 5.41   0.237% *  0.0834% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.909, support = 1.86, residual support = 2.82:
          QD1   LEU   73 - HN    VAL   24   7.14 +/- 2.71  33.068% * 56.9113% (1.00   2.04   2.80) =  66.214%  kept
          QD2   LEU   80 - HN    VAL   24  12.32 +/- 7.65  24.361% * 34.9529% (0.76   1.63   3.21) =  29.959%  kept
          QD1   LEU  104 - HN    VAL   24  18.10 +/- 6.37  15.259% *  6.6277% (0.53   0.45   0.02) =   3.558%  kept
          QD2   LEU   63 - HN    VAL   24  15.88 +/- 3.52   9.222% *  0.3394% (0.61   0.02   0.02) =   0.110%  kept
          QD1   LEU   63 - HN    VAL   24  15.37 +/- 3.40   4.941% *  0.5584% (1.00   0.02   0.02) =   0.097%
          QD2   LEU  115 - HN    VAL   24  18.86 +/- 4.37   1.866% *  0.4481% (0.80   0.02   0.02) =   0.029%
          QG1   VAL   83 - HN    VAL   24  14.26 +/- 6.83   7.312% *  0.0863% (0.15   0.02   0.02) =   0.022%
          QG2   VAL   41 - HN    VAL   24  12.93 +/- 2.96   3.972% *  0.0757% (0.14   0.02   0.02) =   0.011%
    Distance limit 3.87 A violated in 2 structures by 0.81 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.01, residual support = 21.7:
          HB2   HIS   22 - HN    THR   23   4.38 +/- 0.24  92.798% * 99.6110% (0.99   5.01  21.66) =  99.981%  kept
          HA    LEU   63 - HN    THR   23  17.41 +/- 2.78   4.781% *  0.3348% (0.84   0.02   0.02) =   0.017%
          HA2   GLY  101 - HN    THR   23  21.31 +/- 6.39   2.421% *  0.0542% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.63, residual support = 21.7:
          HB3   HIS   22 - HN    THR   23   4.27 +/- 0.17  97.473% * 99.7175% (0.76   5.63  21.66) =  99.996%  kept
          HD3   ARG+  54 - HN    THR   23  23.67 +/- 4.91   1.226% *  0.1907% (0.41   0.02   0.02) =   0.002%
          HB2   PHE   95 - HN    THR   23  19.31 +/- 2.95   1.301% *  0.0918% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.39, residual support = 4.04:
          HB3   CYS   21 - HN    THR   23   4.22 +/- 1.17 100.000% *100.0000% (1.00   2.39   4.04) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.40 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.73, support = 1.93, residual support = 12.8:
          QG2   THR   26 - HN    THR   23   4.42 +/- 0.47  74.560% * 86.4097% (0.73   1.97  13.07) =  97.853%  kept
          HB2   LYS+  74 - HN    THR   23  10.54 +/- 4.60  13.649% *  9.8027% (0.95   0.17   0.02) =   2.032%  kept
          HG2   LYS+  65 - HN    THR   23  16.61 +/- 3.65   3.066% *  0.7815% (0.65   0.02   0.02) =   0.036%
          HD2   LYS+ 121 - HN    THR   23  23.08 +/- 6.27   2.026% *  0.6839% (0.57   0.02   0.02) =   0.021%
          HB3   LEU   40 - HN    THR   23  17.80 +/- 2.47   1.488% *  0.8772% (0.73   0.02   0.02) =   0.020%
          QB    ALA  120 - HN    THR   23  21.39 +/- 4.74   1.974% *  0.5880% (0.49   0.02   0.02) =   0.018%
          HG    LEU  115 - HN    THR   23  22.06 +/- 4.32   1.371% *  0.5880% (0.49   0.02   0.02) =   0.012%
          QD    LYS+  66 - HN    THR   23  17.60 +/- 2.85   1.866% *  0.2690% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.49 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.88, residual support = 19.2:
          QG2   THR   23 - HN    THR   23   3.13 +/- 0.53  92.382% * 97.7596% (0.41   4.88  19.16) =  99.959%  kept
          QG2   THR   77 - HN    THR   23  13.62 +/- 3.80   2.587% *  0.9411% (0.97   0.02   0.02) =   0.027%
          QB    ALA   88 - HN    THR   23  20.98 +/- 5.15   0.724% *  0.6308% (0.65   0.02   0.02) =   0.005%
          QB    ALA   34 - HN    THR   23  11.14 +/- 1.26   2.773% *  0.1505% (0.15   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HN    THR   23  20.57 +/- 6.32   1.007% *  0.2171% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    THR   23  20.13 +/- 1.92   0.527% *  0.3010% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.445, support = 1.02, residual support = 0.509:
          QD1   LEU   73 - HN    THR   23   6.54 +/- 2.85  31.551% * 44.0883% (0.53   0.89   0.46) =  62.401%  kept
          QD2   LEU   80 - HN    THR   23  13.10 +/- 7.53  14.954% * 34.0705% (0.20   1.82   0.61) =  22.855%  kept
          QD1   LEU   80 - HN    THR   23  13.89 +/- 8.11  17.341% * 16.4736% (0.45   0.39   0.61) =  12.815%  kept
          QD2   LEU   63 - HN    THR   23  14.55 +/- 3.06   9.548% *  1.8846% (1.00   0.02   0.02) =   0.807%  kept
          QG2   VAL   41 - HN    THR   23  12.12 +/- 3.12   7.567% *  1.2219% (0.65   0.02   0.02) =   0.415%  kept
          QD2   LEU   98 - HN    THR   23  13.88 +/- 3.89   8.642% *  0.8468% (0.45   0.02   0.02) =   0.328%  kept
          QD1   LEU   63 - HN    THR   23  14.23 +/- 2.85   7.114% *  0.9938% (0.53   0.02   0.02) =   0.317%  kept
          QD2   LEU  115 - HN    THR   23  18.34 +/- 3.67   3.283% *  0.4205% (0.22   0.02   0.02) =   0.062%
    Distance limit 3.95 A violated in 2 structures by 0.95 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   2.99 +/- 0.58  99.254% * 99.9260% (0.98  10.0   3.46  35.22) =  99.999%  kept
          HD3   ARG+  54 - HN    HIS   22  23.74 +/- 4.91   0.746% *  0.0740% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 0.339, support = 5.66, residual support = 140.0:
          HG3   ARG+  54 - HN    ARG+  54   3.62 +/- 0.68  45.290% * 73.8996% (0.26   6.64 167.85) =  83.357%  kept
          QB    ALA   57 - HN    ARG+  54   4.91 +/- 1.50  29.028% * 22.8927% (0.72   0.75   0.60) =  16.551%  kept
          QB    ALA   57 - HN    ASP-  62   5.86 +/- 1.30  15.184% *  0.1145% (0.14   0.02   0.02) =   0.043%
          HB3   LEU  123 - HN    ARG+  54  19.88 +/- 2.40   0.546% *  0.7851% (0.93   0.02   0.02) =   0.011%
          HD3   LYS+ 111 - HN    ARG+  54  16.20 +/- 1.34   0.548% *  0.6413% (0.76   0.02   0.02) =   0.009%
          HD2   LYS+  74 - HN    ARG+  54  15.43 +/- 2.48   0.736% *  0.3591% (0.42   0.02   0.02) =   0.007%
          QD    LYS+  33 - HN    ASP-  62  17.49 +/- 3.27   1.593% *  0.1469% (0.17   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HN    ASP-  62  10.52 +/- 2.41   2.665% *  0.0672% (0.08   0.02   0.02) =   0.004%
          HB3   LEU  123 - HN    ASP-  62  13.05 +/- 1.73   1.200% *  0.1469% (0.17   0.02   0.02) =   0.004%
          QD    LYS+  33 - HN    ARG+  54  24.86 +/- 2.83   0.199% *  0.7851% (0.93   0.02   0.02) =   0.004%
          HD3   LYS+ 111 - HN    ASP-  62  17.51 +/- 2.62   0.878% *  0.1200% (0.14   0.02   0.02) =   0.003%
          HG3   ARG+  54 - HN    ASP-  62  11.11 +/- 1.90   2.132% *  0.0417% (0.05   0.02   0.02) =   0.002%
    Distance limit 4.38 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 = 3.42, residual support = 30.1:
      O   HB2   CYS   21 - HN    CYS   21   2.71 +/- 0.46  95.623% * 99.8975% (0.90  10.0   3.42  30.08) =  99.999%  kept
          HB2   CYS   21 - HN    ILE  119  20.42 +/- 4.00   0.985% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  23.59 +/- 4.25   0.512% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    CYS   21  16.16 +/- 4.59   0.827% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  12.60 +/- 1.19   1.448% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.81 +/- 1.75   0.606% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.42, residual support = 30.1:
      O   HB3   CYS   21 - HN    CYS   21   3.28 +/- 0.45  94.740% * 99.8170% (0.53  10.0   3.42  30.08) =  99.997%  kept
          HG2   MET   96 - HN    CYS   21  16.45 +/- 3.37   1.091% *  0.1151% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   CYS   21 - HN    ILE  119  20.89 +/- 4.40   2.788% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  15.64 +/- 3.02   1.381% *  0.0364% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 4.07 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 = 0.535, support = 0.02, residual support = 0.179:
          HB    VAL   41 - HN    CYS   21  12.19 +/- 3.91   8.615% *  9.1141% (0.80   0.02   0.02) =  20.661%  kept
          HG    LEU  123 - HN    ILE  119   7.43 +/- 0.76  17.587% *  3.5886% (0.32   0.02   0.98) =  16.608%  kept
          HG    LEU  123 - HN    CYS   21  21.12 +/- 4.03   4.174% * 11.3569% (1.00   0.02   0.02) =  12.474%  kept
          QB    LYS+  66 - HN    CYS   21  14.16 +/- 2.72   3.506% *  6.9036% (0.61   0.02   0.02) =   6.369%  kept
          HG2   PRO   93 - HN    CYS   21  18.54 +/- 4.67   4.634% *  3.8825% (0.34   0.02   0.02) =   4.735%  kept
          HG12  ILE  103 - HN    CYS   21  17.74 +/- 3.77   1.630% * 10.5070% (0.92   0.02   0.02) =   4.508%  kept
          HG3   PRO   68 - HN    CYS   21  18.06 +/- 3.85   3.266% *  4.6793% (0.41   0.02   0.02) =   4.022%  kept
          QB    LYS+  33 - HN    CYS   21  11.01 +/- 1.18   5.820% *  2.5341% (0.22   0.02   0.02) =   3.881%  kept
          HB3   ASP- 105 - HN    ILE  119  11.43 +/- 5.09  11.960% *  1.1101% (0.10   0.02   0.02) =   3.494%  kept
          QB    LYS+ 102 - HN    CYS   21  18.69 +/- 5.03   5.455% *  1.9934% (0.18   0.02   0.02) =   2.861%  kept
          QB    LYS+  66 - HN    ILE  119  12.97 +/- 2.93   4.537% *  2.1815% (0.19   0.02   0.02) =   2.605%  kept
          HB    VAL   41 - HN    ILE  119  15.74 +/- 3.47   3.391% *  2.8799% (0.25   0.02   0.02) =   2.570%  kept
          HB3   PRO   52 - HN    ILE  119  16.75 +/- 2.60   2.309% *  3.5886% (0.32   0.02   0.02) =   2.181%  kept
          HB3   PRO   52 - HN    CYS   21  24.74 +/- 4.07   0.655% * 11.3569% (1.00   0.02   0.02) =   1.957%  kept
          HG12  ILE  103 - HN    ILE  119  16.70 +/- 3.61   2.163% *  3.3201% (0.29   0.02   0.02) =   1.890%  kept
          HG3   PRO   68 - HN    ILE  119  15.62 +/- 5.08   4.031% *  1.4786% (0.13   0.02   0.02) =   1.568%  kept
          HB    ILE  103 - HN    CYS   21  19.83 +/- 4.11   1.358% *  4.2718% (0.38   0.02   0.02) =   1.527%  kept
          HG2   PRO   93 - HN    ILE  119  13.38 +/- 1.57   3.989% *  1.2268% (0.11   0.02   0.02) =   1.288%  kept
          HG2   ARG+  54 - HN    CYS   21  21.29 +/- 4.47   1.105% *  3.8825% (0.34   0.02   0.02) =   1.129%  kept
          HB3   ASP- 105 - HN    CYS   21  19.75 +/- 4.14   1.218% *  3.5131% (0.31   0.02   0.02) =   1.126%  kept
          HG2   ARG+  54 - HN    ILE  119  15.75 +/- 2.05   2.390% *  1.2268% (0.11   0.02   0.02) =   0.772%  kept
          HB    ILE  103 - HN    ILE  119  17.57 +/- 3.82   1.831% *  1.3499% (0.12   0.02   0.02) =   0.650%  kept
          HB3   GLN   90 - HN    CYS   21  23.25 +/- 5.77   0.967% *  1.9934% (0.18   0.02   0.02) =   0.507%  kept
          QB    LYS+ 102 - HN    ILE  119  18.24 +/- 3.86   1.650% *  0.6299% (0.06   0.02   0.02) =   0.274%  kept
          QB    LYS+  33 - HN    ILE  119  20.47 +/- 3.90   1.175% *  0.8007% (0.07   0.02   0.02) =   0.248%  kept
          HB3   GLN   90 - HN    ILE  119  23.76 +/- 1.48   0.581% *  0.6299% (0.06   0.02   0.02) =   0.096%
    Distance limit 3.67 A violated in 18 structures by 2.56 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.568, support = 5.88, residual support = 136.4:
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.05  35.031% * 53.6677% (0.80   3.90  16.64) =  52.740%  kept
          HG13  ILE  119 - HN    ILE  119   3.45 +/- 0.76  38.581% * 43.3303% (0.31   8.15 272.16) =  46.896%  kept
          HG2   LYS+ 121 - HN    ILE  119   6.78 +/- 1.05   7.331% *  1.5754% (0.13   0.71   7.30) =   0.324%  kept
          QG1   VAL   24 - HN    CYS   21   8.30 +/- 0.79   3.195% *  0.1060% (0.31   0.02   0.02) =   0.009%
          HB3   LEU   31 - HN    CYS   21  12.41 +/- 1.46   0.860% *  0.3314% (0.97   0.02   0.02) =   0.008%
          HG13  ILE  119 - HN    CYS   21  18.69 +/- 3.43   0.703% *  0.3366% (0.98   0.02   0.02) =   0.007%
          QG2   VAL  107 - HN    ILE  119   7.17 +/- 2.22   8.594% *  0.0242% (0.07   0.02   0.02) =   0.006%
          QG1   VAL   24 - HN    ILE  119  19.89 +/- 5.76   2.264% *  0.0335% (0.10   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    ILE  119  10.57 +/- 1.76   1.642% *  0.0446% (0.13   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    CYS   21  21.14 +/- 4.91   0.366% *  0.1412% (0.41   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    ILE  119  17.53 +/- 3.35   0.492% *  0.0869% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  20.41 +/- 4.68   0.344% *  0.1047% (0.30   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  23.20 +/- 4.56   0.212% *  0.1412% (0.41   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    CYS   21  16.41 +/- 2.41   0.386% *  0.0764% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.533, support = 2.03, residual support = 7.45:
          QD2   LEU   73 - HN    CYS   21   6.27 +/- 3.96  26.179% * 65.6269% (0.57   2.33   9.33) =  78.700%  kept
          QD1   ILE   19 - HN    CYS   21   5.81 +/- 0.95  18.874% * 15.4369% (0.22   1.39   0.77) =  13.346%  kept
          QG2   VAL   18 - HN    CYS   21   6.06 +/- 1.03  15.629% *  6.8281% (0.65   0.21   0.02) =   4.888%  kept
          QG1   VAL   41 - HN    CYS   21  10.54 +/- 3.05   7.028% *  4.7924% (0.98   0.10   0.02) =   1.543%  kept
          QG1   VAL   43 - HN    CYS   21  10.65 +/- 3.62   6.075% *  4.2411% (0.87   0.10   0.02) =   1.180%  kept
          HG    LEU   31 - HN    CYS   21  10.34 +/- 1.48   3.308% *  0.7221% (0.73   0.02   0.02) =   0.109%  kept
          QG2   THR   46 - HN    CYS   21  13.62 +/- 4.91   3.563% *  0.5232% (0.53   0.02   0.02) =   0.085%
          QD1   ILE   56 - HN    ILE  119   7.82 +/- 1.15   8.551% *  0.0970% (0.10   0.02   0.02) =   0.038%
          QG1   VAL   41 - HN    ILE  119  13.69 +/- 3.21   2.107% *  0.3080% (0.31   0.02   0.02) =   0.030%
          QG1   VAL   43 - HN    ILE  119  13.01 +/- 2.25   1.560% *  0.2726% (0.27   0.02   0.02) =   0.019%
          QD2   LEU   73 - HN    ILE  119  13.90 +/- 2.81   1.797% *  0.1779% (0.18   0.02   0.02) =   0.015%
          QG2   THR   46 - HN    ILE  119  14.00 +/- 2.62   1.594% *  0.1653% (0.17   0.02   0.02) =   0.012%
          QD1   ILE   56 - HN    CYS   21  16.16 +/- 2.86   0.848% *  0.3069% (0.31   0.02   0.02) =   0.012%
          QG2   VAL   18 - HN    ILE  119  15.06 +/- 2.41   1.140% *  0.2033% (0.20   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    ILE  119  20.42 +/- 4.54   0.719% *  0.2282% (0.23   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    ILE  119  16.53 +/- 2.78   1.028% *  0.0700% (0.07   0.02   0.02) =   0.003%
    Distance limit 4.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.475, support = 4.79, residual support = 8.73:
          QD1   LEU   73 - HN    CYS   21   5.78 +/- 3.67  25.805% * 70.6133% (0.53   5.08   9.33) =  83.743%  kept
          QD2   LEU  115 - HN    ILE  119   4.69 +/- 1.13  27.137% *  8.5357% (0.07   4.59   8.46) =  10.645%  kept
          QD1   LEU   63 - HN    ILE  119   7.42 +/- 2.70  11.728% *  5.8313% (0.17   1.33   0.50) =   3.143%  kept
          QD2   LEU   63 - HN    CYS   21  12.08 +/- 2.46   3.487% * 11.8185% (1.00   0.45   0.02) =   1.894%  kept
          QG2   VAL   41 - HN    CYS   21  10.18 +/- 3.44   4.595% *  1.6813% (0.65   0.10   0.02) =   0.355%  kept
          QD1   LEU   80 - HN    CYS   21  14.48 +/- 7.82   7.033% *  0.2370% (0.45   0.02   0.02) =   0.077%
          QD2   LEU   63 - HN    ILE  119   8.40 +/- 2.63   5.820% *  0.1667% (0.32   0.02   0.50) =   0.045%
          QD1   LEU   63 - HN    CYS   21  11.84 +/- 2.16   2.824% *  0.2781% (0.53   0.02   0.02) =   0.036%
          QD2   LEU   80 - HN    CYS   21  13.77 +/- 7.21   4.174% *  0.1046% (0.20   0.02   0.02) =   0.020%
          QD2   LEU   98 - HN    CYS   21  12.71 +/- 3.43   1.577% *  0.2370% (0.45   0.02   0.02) =   0.017%
          QD1   LEU   73 - HN    ILE  119  14.93 +/- 3.84   2.316% *  0.0879% (0.17   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    CYS   21  16.46 +/- 2.92   1.145% *  0.1177% (0.22   0.02   0.02) =   0.006%
          QG2   VAL   41 - HN    ILE  119  13.90 +/- 2.53   1.041% *  0.1081% (0.20   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    ILE  119  15.06 +/- 2.91   0.767% *  0.0749% (0.14   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ILE  119  20.58 +/- 2.94   0.271% *  0.0749% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  20.36 +/- 2.76   0.279% *  0.0331% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.307, support = 5.48, residual support = 63.4:
          HN    THR  118 - HN    ILE  119   2.48 +/- 0.21  80.961% * 49.3589% (0.28   5.85  69.70) =  88.512%  kept
          HN    GLN  116 - HN    ILE  119   4.82 +/- 0.33  11.521% * 43.7349% (0.53   2.74  15.33) =  11.160%  kept
          HN    GLU- 114 - HN    ILE  119   8.13 +/- 0.55   2.470% *  5.1394% (0.95   0.18   0.11) =   0.281%  kept
          HN    PHE   60 - HN    ILE  119   8.82 +/- 0.79   2.095% *  0.6495% (0.14   0.16   0.02) =   0.030%
          HN    LEU   71 - HN    ILE  119  15.22 +/- 3.86   0.865% *  0.5742% (0.95   0.02   0.02) =   0.011%
          HN    LEU   71 - HN    CYS   21  12.70 +/- 2.74   0.952% *  0.1814% (0.30   0.02   0.02) =   0.004%
          HN    GLN  116 - HN    CYS   21  21.44 +/- 3.60   0.283% *  0.1009% (0.17   0.02   0.02) =   0.001%
          HN    GLU- 114 - HN    CYS   21  23.35 +/- 3.66   0.143% *  0.1814% (0.30   0.02   0.02) =   0.001%
          HN    THR  118 - HN    CYS   21  20.50 +/- 3.67   0.268% *  0.0533% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  15.96 +/- 2.99   0.442% *  0.0260% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.669, support = 2.61, residual support = 19.4:
          HN    HIS  122 - HN    ILE  119   5.21 +/- 0.30  25.046% * 74.7368% (1.00   2.36  15.79) =  57.308%  kept
          QE    PHE   59 - HN    ILE  119   3.55 +/- 0.76  64.762% * 21.2247% (0.22   3.00  24.16) =  42.082%  kept
          HN    PHE   59 - HN    ILE  119   8.23 +/- 0.81   6.786% *  2.8452% (0.57   0.16  24.16) =   0.591%  kept
          HH2   TRP   87 - HN    ILE  119  25.25 +/- 5.48   0.364% *  0.6342% (1.00   0.02   0.02) =   0.007%
          HH2   TRP   87 - HN    CYS   21  23.88 +/- 8.21   0.652% *  0.2004% (0.32   0.02   0.02) =   0.004%
          HN    HIS  122 - HN    CYS   21  19.71 +/- 3.54   0.591% *  0.2004% (0.32   0.02   0.02) =   0.004%
          HN    PHE   59 - HN    CYS   21  17.79 +/- 3.30   0.863% *  0.1137% (0.18   0.02   0.02) =   0.003%
          QE    PHE   59 - HN    CYS   21  15.57 +/- 2.43   0.936% *  0.0447% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.41, residual support = 16.6:
          HN    ALA   20 - HN    CYS   21   4.30 +/- 0.09  98.572% * 99.8151% (0.95   3.41  16.64) =  99.997%  kept
          HN    ALA   20 - HN    ILE  119  20.33 +/- 3.46   1.428% *  0.1849% (0.30   0.02   0.02) =   0.003%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 5.8, residual support = 52.8:
        T HN    ALA  120 - HN    ILE  119   2.46 +/- 0.21  82.159% * 94.5592% (1.00 10.00   5.84  53.09) =  99.358%  kept
          HE21  GLN  116 - HN    ILE  119   6.02 +/- 1.23  11.026% *  4.3741% (0.80  1.00   1.16  15.33) =   0.617%  kept
          HN    ALA  124 - HN    ILE  119   7.56 +/- 0.42   2.953% *  0.5997% (0.25  1.00   0.51   0.02) =   0.023%
        T HN    ALA  120 - HN    CYS   21  21.15 +/- 3.84   0.462% *  0.2988% (0.32 10.00   0.02   0.02) =   0.002%
          HN    ALA   57 - HN    ILE  119  11.55 +/- 1.12   0.914% *  0.0687% (0.73  1.00   0.02   0.02) =   0.001%
          HE21  GLN  116 - HN    CYS   21  23.24 +/- 4.44   0.596% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  19.46 +/- 3.92   0.255% *  0.0217% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.76 +/- 1.60   0.840% *  0.0052% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  22.79 +/- 4.06   0.403% *  0.0075% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  21.43 +/- 3.58   0.171% *  0.0166% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  25.57 +/- 2.24   0.087% *  0.0187% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  24.99 +/- 6.33   0.134% *  0.0059% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.75, residual support = 69.7:
          HB    THR  118 - HN    ILE  119   3.55 +/- 0.36  87.665% * 98.1981% (0.98   5.75  69.70) =  99.982%  kept
          HB    THR   39 - HN    ILE  119  18.28 +/- 4.24   1.259% *  0.2662% (0.76   0.02   0.02) =   0.004%
          HB3   SER   37 - HN    ILE  119  21.28 +/- 4.80   0.809% *  0.3124% (0.90   0.02   0.02) =   0.003%
          HB    THR   39 - HN    CYS   21  14.53 +/- 3.21   1.970% *  0.0841% (0.24   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    CYS   21  14.60 +/- 1.97   1.616% *  0.0987% (0.28   0.02   0.02) =   0.002%
          HB    THR  118 - HN    CYS   21  19.05 +/- 3.52   1.179% *  0.1079% (0.31   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  20.07 +/- 8.86   2.523% *  0.0453% (0.13   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    ILE  119  22.63 +/- 1.90   0.364% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QB    SER   13 - HN    CYS   21  15.79 +/- 2.65   1.374% *  0.0799% (0.23   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ILE  119  23.10 +/- 3.26   0.404% *  0.2530% (0.73   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  22.26 +/- 5.79   0.582% *  0.0987% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  26.71 +/- 3.21   0.255% *  0.1432% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.894, support = 8.57, residual support = 271.1:
          HG12  ILE  119 - HN    ILE  119   3.09 +/- 0.71  69.252% * 93.1702% (0.90   8.60 272.16) =  99.609%  kept
          HB3   PHE   72 - HN    CYS   21  10.04 +/- 3.26   3.753% *  3.7355% (0.30   1.01   0.02) =   0.216%  kept
          HB2   ASP- 105 - HN    ILE  119  11.04 +/- 4.87   7.649% *  1.2267% (0.14   0.75   0.02) =   0.145%  kept
          HB3   PHE   72 - HN    ILE  119  14.12 +/- 3.41   2.498% *  0.2333% (0.97   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    ILE  119  13.04 +/- 2.16   1.566% *  0.2168% (0.90   0.02   0.02) =   0.005%
          QG    GLU-  14 - HN    CYS   21  13.20 +/- 3.23   2.352% *  0.0705% (0.29   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    CYS   21  12.72 +/- 3.87   2.213% *  0.0685% (0.28   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    CYS   21   9.85 +/- 1.23   3.172% *  0.0402% (0.17   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    ILE  119  20.27 +/- 3.13   0.424% *  0.1935% (0.80   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    CYS   21  18.66 +/- 3.29   1.133% *  0.0685% (0.28   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ILE  119  21.72 +/- 2.81   0.315% *  0.2231% (0.92   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  21.93 +/- 1.21   0.265% *  0.2396% (0.99   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  13.91 +/- 1.20   1.015% *  0.0612% (0.25   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    CYS   21  20.80 +/- 4.59   1.746% *  0.0314% (0.13   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  16.96 +/- 1.76   0.544% *  0.0994% (0.41   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ILE  119  24.46 +/- 4.98   0.299% *  0.1272% (0.53   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   21  21.00 +/- 5.47   0.447% *  0.0757% (0.31   0.02   0.02) =   0.001%
          QB    MET   11 - HN    CYS   21  19.72 +/- 3.95   0.731% *  0.0261% (0.11   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  27.18 +/- 4.27   0.167% *  0.0824% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.95 +/- 3.99   0.459% *  0.0103% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 8.18, residual support = 272.1:
      O   HB    ILE  119 - HN    ILE  119   2.36 +/- 0.39  73.929% * 99.0354% (0.92  10.0   8.18 272.16) =  99.988%  kept
          HG3   GLN   30 - HN    CYS   21   7.33 +/- 1.97  11.270% *  0.0336% (0.31   1.0   0.02   0.02) =   0.005%
          HB2   GLN   30 - HN    CYS   21   7.76 +/- 1.92   4.231% *  0.0313% (0.29   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    ILE  119  13.80 +/- 3.23   1.421% *  0.0779% (0.73   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ILE  119  11.29 +/- 1.59   0.972% *  0.0441% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ILE  119  15.92 +/- 2.13   0.493% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  16.85 +/- 4.23   0.437% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.55 +/- 1.78   0.864% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  20.17 +/- 3.69   0.176% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  21.24 +/- 3.94   0.156% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  22.45 +/- 4.12   0.144% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.83 +/- 4.25   0.526% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.68 +/- 0.86   1.114% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  16.91 +/- 4.68   0.835% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  19.80 +/- 5.37   0.272% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.05 +/- 3.44   0.284% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.61 +/- 1.19   1.217% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  19.63 +/- 2.65   0.212% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.81 +/- 2.99   0.205% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.25 +/- 0.77   0.564% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  26.61 +/- 6.26   0.286% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  22.05 +/- 4.63   0.168% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  21.88 +/- 1.96   0.111% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.13 +/- 4.40   0.111% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.914, support = 7.68, residual support = 247.0:
          HG13  ILE  119 - HN    ILE  119   3.45 +/- 0.76  35.215% * 85.7778% (0.99   8.15 272.16) =  90.287%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.05  31.106% *  7.9465% (0.19   3.90  16.64) =   7.388%  kept
          QG1   VAL  107 - HN    ILE  119   6.58 +/- 3.37  18.314% *  3.5951% (0.20   1.71   0.02) =   1.968%  kept
          HG2   LYS+ 121 - HN    ILE  119   6.78 +/- 1.05   5.999% *  1.8707% (0.25   0.71   7.30) =   0.335%  kept
          QG1   VAL   24 - HN    ILE  119  19.89 +/- 5.76   2.096% *  0.1034% (0.49   0.02   0.02) =   0.006%
          HD3   LYS+ 112 - HN    ILE  119  10.57 +/- 1.76   1.445% *  0.1288% (0.61   0.02   0.02) =   0.006%
          QG1   VAL   24 - HN    CYS   21   8.30 +/- 0.79   2.859% *  0.0327% (0.15   0.02   0.02) =   0.003%
          HB3   LEU   31 - HN    ILE  119  20.41 +/- 4.68   0.311% *  0.2120% (1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  17.53 +/- 3.35   0.442% *  0.1288% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   31 - HN    CYS   21  12.41 +/- 1.46   0.774% *  0.0670% (0.32   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    CYS   21  18.69 +/- 3.43   0.577% *  0.0665% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  23.20 +/- 4.56   0.179% *  0.0407% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  21.14 +/- 4.91   0.314% *  0.0167% (0.08   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.23 +/- 2.29   0.370% *  0.0133% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.267, support = 1.33, residual support = 6.22:
          HG3   LYS+  74 - HN    CYS   21   9.44 +/- 6.34  18.803% * 43.3613% (0.23   1.46   9.41) =  61.133%  kept
          HB    VAL   75 - HN    CYS   21  10.92 +/- 5.47  10.217% * 42.1520% (0.24   1.35   1.45) =  32.291%  kept
          QD2   LEU   40 - HN    ILE  119  10.11 +/- 3.64  12.453% *  2.4437% (0.95   0.02   0.02) =   2.282%  kept
          QD1   LEU   67 - HN    ILE  119  11.77 +/- 2.55   6.338% *  2.3847% (0.92   0.02   0.02) =   1.133%  kept
          QG2   ILE  103 - HN    ILE  119  12.89 +/- 3.06   6.425% *  2.1577% (0.84   0.02   0.02) =   1.039%  kept
          QD1   LEU   67 - HN    CYS   21  10.80 +/- 2.88   7.731% *  0.7535% (0.29   0.02   0.02) =   0.437%  kept
          HB    VAL   75 - HN    ILE  119  16.04 +/- 2.29   1.969% *  1.9742% (0.76   0.02   0.02) =   0.291%  kept
          QD2   LEU   40 - HN    CYS   21  12.78 +/- 1.82   4.995% *  0.7722% (0.30   0.02   0.02) =   0.289%  kept
          QD2   LEU   71 - HN    ILE  119  13.28 +/- 3.64   5.765% *  0.6441% (0.25   0.02   0.02) =   0.278%  kept
          QG2   ILE  103 - HN    CYS   21  16.16 +/- 3.19   5.046% *  0.6818% (0.26   0.02   0.02) =   0.258%  kept
          HG3   LYS+  74 - HN    ILE  119  19.10 +/- 2.72   1.482% *  1.8759% (0.73   0.02   0.02) =   0.209%  kept
          QD1   ILE  103 - HN    ILE  119  14.78 +/- 3.33   4.796% *  0.4524% (0.18   0.02   0.02) =   0.163%  kept
          QD2   LEU   71 - HN    CYS   21  10.58 +/- 2.69  10.241% *  0.2035% (0.08   0.02   0.02) =   0.156%  kept
          QD1   ILE  103 - HN    CYS   21  15.60 +/- 3.24   3.740% *  0.1430% (0.06   0.02   0.02) =   0.040%
    Distance limit 3.62 A violated in 13 structures by 2.28 A, kept.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.99, residual support = 69.7:
          QG2   THR  118 - HN    ILE  119   3.61 +/- 0.52  98.013% * 99.9096% (0.57   6.99  69.70) =  99.998%  kept
          QG2   THR  118 - HN    CYS   21  15.07 +/- 2.84   1.987% *  0.0904% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.784, support = 3.83, residual support = 45.5:
          QB    ALA  120 - HN    ILE  119   3.99 +/- 0.19  34.739% * 63.3924% (0.80   4.38  53.09) =  82.833%  kept
          HB3   LEU  115 - HN    ILE  119   5.80 +/- 0.93  15.180% * 13.6339% (0.95   0.80   8.46) =   7.785%  kept
          HG    LEU  115 - HN    ILE  119   6.64 +/- 0.90   8.605% * 15.4905% (0.80   1.07   8.46) =   5.014%  kept
          HG    LEU   73 - HN    CYS   21   7.13 +/- 4.74  21.239% *  5.3080% (0.15   1.91   9.33) =   4.240%  kept
          HG    LEU   40 - HN    ILE  119  12.40 +/- 3.87   3.860% *  0.3418% (0.95   0.02   0.02) =   0.050%
          HB3   LEU   40 - HN    ILE  119  13.61 +/- 4.12   2.497% *  0.2045% (0.57   0.02   0.02) =   0.019%
          HG    LEU   67 - HN    ILE  119  14.63 +/- 3.12   1.159% *  0.3581% (0.99   0.02   0.02) =   0.016%
          HG    LEU   73 - HN    ILE  119  17.11 +/- 4.26   1.189% *  0.1759% (0.49   0.02   0.02) =   0.008%
          QB    ALA  120 - HN    CYS   21  19.05 +/- 3.63   1.486% *  0.0914% (0.25   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    CYS   21  13.96 +/- 3.28   1.095% *  0.1132% (0.31   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    ILE  119  13.83 +/- 2.61   1.034% *  0.1115% (0.31   0.02   0.02) =   0.004%
          HG    LEU   40 - HN    CYS   21  14.48 +/- 2.15   1.056% *  0.1080% (0.30   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    ILE  119  14.06 +/- 3.51   1.392% *  0.0633% (0.18   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    CYS   21  21.46 +/- 5.53   1.181% *  0.0692% (0.19   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE  119  21.76 +/- 4.34   0.357% *  0.2191% (0.61   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    CYS   21  14.74 +/- 2.34   1.038% *  0.0646% (0.18   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    CYS   21  19.16 +/- 3.38   0.505% *  0.1080% (0.30   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    CYS   21  19.86 +/- 3.66   0.527% *  0.0914% (0.25   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    CYS   21  14.61 +/- 2.75   0.824% *  0.0352% (0.10   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  13.82 +/- 3.41   1.037% *  0.0200% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.994, support = 1.21, residual support = 1.43:
          QG2   VAL   75 - HN    CYS   21   8.91 +/- 5.07  40.364% * 97.5082% (1.00   1.22   1.45) =  98.804%  kept
          QG2   VAL   42 - HN    CYS   21  11.38 +/- 2.00  18.295% *  1.5109% (0.95   0.02   0.02) =   0.694%  kept
          QG2   VAL   42 - HN    ILE  119   9.31 +/- 3.20  31.912% *  0.4774% (0.30   0.02   0.02) =   0.382%  kept
          QG2   VAL   75 - HN    ILE  119  14.16 +/- 2.43   9.429% *  0.5036% (0.32   0.02   0.02) =   0.119%  kept
    Distance limit 4.53 A violated in 13 structures by 2.16 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   2.09 +/- 0.13  98.558% * 99.6430% (0.84  10.0   3.73  15.22) =  99.999%  kept
          HG2   LYS+ 121 - HN    ALA   20  20.99 +/- 5.40   0.331% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    ALA   20  17.55 +/- 2.02   0.196% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.11 +/- 1.42   0.531% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.85 +/- 2.93   0.252% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  20.20 +/- 3.32   0.132% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.67, residual support = 25.7:
          QG2   ILE   19 - HN    ALA   20   3.25 +/- 0.42  98.335% * 99.7539% (0.99   3.67  25.74) =  99.996%  kept
          QD1   LEU   98 - HN    ALA   20  15.25 +/- 2.77   1.665% *  0.2461% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 5.93, residual support = 171.4:
      O   HB    ILE   19 - HN    ILE   19   2.71 +/- 0.51  70.628% * 94.6186% (0.97  10.0   5.96 172.63) =  99.310%  kept
          HB2   GLN   17 - HN    ILE   19   6.06 +/- 0.60   9.304% *  4.8860% (0.73   1.0   1.37   0.02) =   0.676%  kept
          HB3   PRO   68 - HN    ILE   19  13.82 +/- 5.60  12.785% *  0.0334% (0.34   1.0   0.02   0.02) =   0.006%
          QB    GLU-  15 - HN    ILE   19   8.76 +/- 0.68   2.787% *  0.0712% (0.73   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    ILE   19  14.37 +/- 2.14   2.218% *  0.0879% (0.90   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    ILE   19  14.10 +/- 4.99   1.351% *  0.0905% (0.92   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    ILE   19  19.73 +/- 2.22   0.238% *  0.0972% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  23.96 +/- 3.72   0.150% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  19.57 +/- 2.86   0.270% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.78 +/- 2.62   0.268% *  0.0244% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 5.91, residual support = 157.1:
          HG12  ILE   19 - HN    ILE   19   2.80 +/- 0.80  57.058% * 66.4710% (0.73   6.28 172.63) =  90.766%  kept
          HG    LEU   73 - HN    ILE   19   8.28 +/- 5.14  12.082% * 27.9019% (0.80   2.39   4.43) =   8.068%  kept
          HB3   LYS+  74 - HN    ILE   19   9.35 +/- 6.26  12.221% *  3.7090% (0.18   1.45   7.68) =   1.085%  kept
          HB3   LEU   67 - HN    ILE   19  10.43 +/- 4.98   3.753% *  0.2915% (1.00   0.02   0.02) =   0.026%
          QB    ALA   61 - HN    ILE   19  11.76 +/- 3.81   2.984% *  0.2813% (0.97   0.02   0.02) =   0.020%
          QG    LYS+  66 - HN    ILE   19  12.47 +/- 3.25   1.653% *  0.2757% (0.95   0.02   0.02) =   0.011%
          HG    LEU   67 - HN    ILE   19  10.58 +/- 5.00   4.124% *  0.0649% (0.22   0.02   0.02) =   0.006%
          HG    LEU   40 - HN    ILE   19  11.33 +/- 2.94   2.817% *  0.0900% (0.31   0.02   0.02) =   0.006%
          HG    LEU   80 - HN    ILE   19  19.61 +/- 8.11   0.744% *  0.2435% (0.84   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ILE   19  19.59 +/- 7.60   0.927% *  0.0900% (0.31   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ILE   19  20.18 +/- 2.70   0.354% *  0.2334% (0.80   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE   19  20.64 +/- 4.68   0.279% *  0.2002% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ILE   19  18.32 +/- 2.81   0.522% *  0.0900% (0.31   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ILE   19  18.56 +/- 3.80   0.482% *  0.0577% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 169.0:
          HG13  ILE   19 - HN    ILE   19   2.93 +/- 0.64  60.817% * 82.7307% (0.97   5.97 172.63) =  97.825%  kept
          HG    LEU   71 - HN    ILE   19   9.23 +/- 4.81   7.042% *  8.4896% (0.98   0.60   1.25) =   1.162%  kept
          HG2   LYS+  74 - HN    ILE   19  10.68 +/- 6.45   6.402% *  7.6730% (0.99   0.54   7.68) =   0.955%  kept
          QG2   THR   39 - HN    ILE   19   8.90 +/- 2.97  10.135% *  0.1974% (0.69   0.02   0.02) =   0.039%
          QB    ALA   34 - HN    ILE   19   7.89 +/- 1.86  12.514% *  0.0389% (0.14   0.02   0.02) =   0.009%
          HG3   LYS+  99 - HN    ILE   19  16.99 +/- 5.66   0.719% *  0.2867% (1.00   0.02   0.02) =   0.004%
          HG3   LYS+  38 - HN    ILE   19  15.61 +/- 3.10   0.980% *  0.1181% (0.41   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    ILE   19  18.79 +/- 4.61   0.442% *  0.1974% (0.69   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    ILE   19  16.50 +/- 2.97   0.571% *  0.0717% (0.25   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  23.80 +/- 6.26   0.204% *  0.1079% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  24.91 +/- 4.00   0.174% *  0.0887% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.349, support = 4.73, residual support = 22.1:
          QG1   VAL   18 - HN    ILE   19   2.98 +/- 0.36  79.874% * 69.1677% (0.34   4.89  22.88) =  96.272%  kept
          QD1   LEU   71 - HN    ILE   19   8.47 +/- 3.93   7.680% * 13.8602% (0.69   0.49   1.25) =   1.855%  kept
          QG1   VAL   70 - HN    ILE   19   9.14 +/- 3.49   6.863% * 15.3445% (0.45   0.82   0.16) =   1.835%  kept
          QD2   LEU  123 - HN    ILE   19  15.16 +/- 3.35   3.654% *  0.2562% (0.31   0.02   0.02) =   0.016%
          QD1   LEU  123 - HN    ILE   19  14.65 +/- 2.67   1.361% *  0.5703% (0.69   0.02   0.02) =   0.014%
          HB3   LEU  104 - HN    ILE   19  18.45 +/- 4.18   0.569% *  0.8012% (0.97   0.02   0.02) =   0.008%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.793, support = 4.97, residual support = 80.7:
          QG2   VAL   18 - HN    ILE   19   3.69 +/- 0.66  34.098% * 57.4173% (0.97   4.83  22.88) =  58.843%  kept
          QD1   ILE   19 - HN    ILE   19   3.64 +/- 0.62  34.413% * 37.5960% (0.57   5.39 172.63) =  38.886%  kept
          QD2   LEU   73 - HN    ILE   19   6.72 +/- 4.45  17.697% *  4.1150% (0.22   1.50   4.43) =   2.189%  kept
          QG1   VAL   41 - HN    ILE   19   8.87 +/- 3.58   7.385% *  0.2210% (0.90   0.02   0.02) =   0.049%
          QG1   VAL   43 - HN    ILE   19  10.85 +/- 4.13   2.595% *  0.2443% (0.99   0.02   0.02) =   0.019%
          QG2   THR   46 - HN    ILE   19  14.71 +/- 4.95   1.029% *  0.2210% (0.90   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    ILE   19  10.60 +/- 1.32   1.865% *  0.0841% (0.34   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    ILE   19  14.07 +/- 3.37   0.918% *  0.1013% (0.41   0.02   0.02) =   0.003%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.715, support = 4.56, residual support = 24.0:
          HG12  ILE   19 - HN    ALA   20   5.00 +/- 0.73  38.570% * 82.7136% (0.73   4.87  25.74) =  92.555%  kept
          HG    LEU   73 - HN    ALA   20   8.74 +/- 3.90  16.045% * 10.5183% (0.80   0.56   0.02) =   4.896%  kept
          HB3   LYS+  74 - HN    ALA   20   8.67 +/- 5.74  21.884% *  3.6912% (0.18   0.90   5.66) =   2.344%  kept
          QB    ALA   61 - HN    ALA   20  12.42 +/- 3.25   3.943% *  0.4513% (0.97   0.02   0.02) =   0.052%
          HB3   LEU   67 - HN    ALA   20  12.79 +/- 3.67   3.218% *  0.4676% (1.00   0.02   0.02) =   0.044%
          QG    LYS+  66 - HN    ALA   20  13.41 +/- 2.67   2.841% *  0.4423% (0.95   0.02   0.02) =   0.036%
          HG    LEU   80 - HN    ALA   20  18.91 +/- 7.54   2.303% *  0.3906% (0.84   0.02   0.02) =   0.026%
          HG    LEU   67 - HN    ALA   20  12.86 +/- 3.74   3.827% *  0.1041% (0.22   0.02   0.02) =   0.012%
          HG    LEU   40 - HN    ALA   20  14.37 +/- 2.03   2.013% *  0.1443% (0.31   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    ALA   20  22.97 +/- 5.19   0.774% *  0.3212% (0.69   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    ALA   20  19.00 +/- 6.87   1.637% *  0.1443% (0.31   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    ALA   20  21.33 +/- 2.58   0.523% *  0.3744% (0.80   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ALA   20  20.95 +/- 5.60   1.763% *  0.0925% (0.20   0.02   0.02) =   0.005%
          HB3   LEU  115 - HN    ALA   20  20.10 +/- 2.81   0.660% *  0.1443% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.625, support = 2.4, residual support = 6.62:
          HG    LEU   73 - HN    CYS   21   7.13 +/- 4.74  18.837% * 36.9300% (0.80   1.91   9.33) =  44.792%  kept
          HG12  ILE   19 - HN    CYS   21   6.67 +/- 0.93  12.232% * 39.5806% (0.73   2.26   0.77) =  31.174%  kept
          HB3   LYS+  74 - HN    CYS   21   7.59 +/- 6.22  20.601% * 16.1811% (0.18   3.83   9.41) =  21.465%  kept
          HB3   LEU  115 - HN    ILE  119   5.80 +/- 0.93  13.672% *  1.8786% (0.10   0.80   8.46) =   1.654%  kept
          HD3   LYS+ 121 - HN    ILE  119   6.86 +/- 1.07   7.971% *  1.0663% (0.06   0.71   7.30) =   0.547%  kept
          QB    ALA   61 - HN    CYS   21  11.97 +/- 3.98   3.174% *  0.4660% (0.97   0.02   0.02) =   0.095%
          HG    LEU   80 - HN    CYS   21  16.59 +/- 8.55   2.616% *  0.4033% (0.84   0.02   0.02) =   0.068%
          HB3   LEU   67 - HN    CYS   21  13.82 +/- 3.41   0.931% *  0.4828% (1.00   0.02   0.02) =   0.029%
          HG2   LYS+ 102 - HN    CYS   21  21.46 +/- 5.53   1.220% *  0.3317% (0.69   0.02   0.02) =   0.026%
          QG    LYS+  66 - HN    CYS   21  14.61 +/- 2.75   0.749% *  0.4567% (0.95   0.02   0.02) =   0.022%
          QB    ALA   61 - HN    ILE  119  10.50 +/- 1.35   1.771% *  0.1472% (0.30   0.02   0.02) =   0.017%
          HB2   LEU   80 - HN    CYS   21  16.66 +/- 7.99   1.720% *  0.1490% (0.31   0.02   0.02) =   0.017%
          QB    ALA  110 - HN    ILE  119  11.17 +/- 1.13   1.656% *  0.1222% (0.25   0.02   0.02) =   0.013%
          HG    LEU   40 - HN    ILE  119  12.40 +/- 3.87   3.996% *  0.0471% (0.10   0.02   0.02) =   0.012%
          HG    LEU   73 - HN    ILE  119  17.11 +/- 4.26   1.282% *  0.1222% (0.25   0.02   0.02) =   0.010%
          HB3   LEU   67 - HN    ILE  119  14.06 +/- 3.51   1.014% *  0.1526% (0.32   0.02   0.02) =   0.010%
          HG    LEU   40 - HN    CYS   21  14.48 +/- 2.15   1.012% *  0.1490% (0.31   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    ILE  119  13.83 +/- 2.61   0.919% *  0.1443% (0.30   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    CYS   21  20.04 +/- 3.22   0.274% *  0.3866% (0.80   0.02   0.02) =   0.007%
          HG    LEU   67 - HN    CYS   21  13.96 +/- 3.28   0.950% *  0.1075% (0.22   0.02   0.02) =   0.007%
          HB3   LEU  115 - HN    CYS   21  19.16 +/- 3.38   0.494% *  0.1490% (0.31   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    ILE  119  18.75 +/- 2.84   0.487% *  0.1108% (0.23   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    CYS   21  20.92 +/- 5.13   0.530% *  0.0955% (0.20   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    ILE  119  21.76 +/- 4.34   0.356% *  0.1048% (0.22   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE  119  14.63 +/- 3.12   0.860% *  0.0340% (0.07   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE  119  24.32 +/- 3.82   0.156% *  0.1274% (0.26   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  119  18.83 +/- 2.51   0.365% *  0.0267% (0.06   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  119  23.92 +/- 2.89   0.157% *  0.0471% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.14, residual support = 84.2:
      O   QG    GLN   17 - HE21  GLN   17   2.59 +/- 0.50  89.808% * 99.5957% (0.48  10.0   3.14  84.19) =  99.994%  kept
          HG3   GLU-  29 - HE21  GLN   17  17.25 +/- 5.96   6.884% *  0.0403% (0.20   1.0   0.02   0.02) =   0.003%
          HB    VAL   70 - HE21  GLN   17  12.54 +/- 3.77   1.536% *  0.0879% (0.43   1.0   0.02   0.02) =   0.002%
          HB2   GLU-  25 - HE21  GLN   17  19.03 +/- 4.95   0.713% *  0.1161% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  17.38 +/- 3.89   0.680% *  0.1053% (0.51   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HE21  GLN   17  21.33 +/- 3.66   0.248% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  30.01 +/- 5.81   0.131% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 5.5, residual support = 49.7:
        T HN    VAL   18 - HN    GLN   17   4.40 +/- 0.17  89.852% * 99.9055% (0.73 10.00   5.50  49.73) =  99.989%  kept
          HN    SER   13 - HN    GLN   17   9.91 +/- 1.04  10.148% *  0.0945% (0.69  1.00   0.02   0.02) =   0.011%
    Distance limit 4.36 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.5, residual support = 49.7:
        T HN    GLN   17 - HN    VAL   18   4.40 +/- 0.17  90.584% * 99.7850% (0.89 10.00   5.50  49.73) =  99.989%  kept
          HD21  ASN   69 - HN    VAL   18  12.84 +/- 5.78   8.799% *  0.1079% (0.96  1.00   0.02   0.02) =   0.010%
          HN    TRP   87 - HN    VAL   18  27.29 +/- 7.62   0.617% *  0.1071% (0.96  1.00   0.02   0.02) =   0.001%
    Distance limit 4.53 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 = 3.22, residual support = 7.64:
        T HN    LYS+  74 - HN    ILE   19   8.17 +/- 6.55  60.348% * 96.4585% (0.41 10.00   3.24   7.68) =  99.597%  kept
          HN    THR   46 - HN    ILE   19  17.02 +/- 5.89   6.645% *  3.2324% (0.84  1.00   0.33   0.02) =   0.368%  kept
          HN    MET   92 - HN    ILE   19  21.55 +/- 5.50   4.075% *  0.2264% (0.97  1.00   0.02   0.02) =   0.016%
          HN    MET   11 - HN    ILE   19  19.44 +/- 3.16  20.880% *  0.0362% (0.15  1.00   0.02   0.02) =   0.013%
          HN    ASP- 113 - HN    ILE   19  23.71 +/- 3.11   8.052% *  0.0464% (0.20  1.00   0.02   0.02) =   0.006%
    Distance limit 4.68 A violated in 7 structures by 3.54 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.859, support = 2.85, residual support = 2.82:
          HN    THR   26 - HN    VAL   24   4.28 +/- 0.19  80.055% * 94.0227% (0.87   2.88   2.81) =  98.772%  kept
          HN    LEU   80 - HN    VAL   24  14.92 +/- 7.69  16.648% *  5.5925% (0.20   0.75   3.21) =   1.222%  kept
          HN    CYS   53 - HN    VAL   24  23.49 +/- 4.30   0.946% *  0.2828% (0.38   0.02   0.02) =   0.004%
          HN    ALA   34 - HN    VAL   24  14.13 +/- 0.66   2.351% *  0.1020% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.70 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 = 4.33, residual support = 25.5:
          HN    THR   23 - HN    VAL   24   4.00 +/- 0.37  76.427% * 88.9381% (0.98   4.38  25.78) =  98.527%  kept
          HD2   HIS   22 - HN    VAL   24   8.45 +/- 1.04  10.725% *  6.1636% (0.22   1.34   0.02) =   0.958%  kept
          HE3   TRP   27 - HN    VAL   24   8.31 +/- 0.41   9.258% *  3.7149% (0.76   0.23  23.23) =   0.499%  kept
          QE    PHE   95 - HN    VAL   24  17.26 +/- 2.82   1.445% *  0.4109% (0.99   0.02   0.02) =   0.009%
          HN    LEU   67 - HN    VAL   24  19.03 +/- 2.40   0.931% *  0.2848% (0.69   0.02   0.02) =   0.004%
          QD    PHE   55 - HN    VAL   24  23.51 +/- 3.93   0.607% *  0.3463% (0.84   0.02   0.02) =   0.003%
          HD1   TRP   49 - HN    VAL   24  22.72 +/- 5.69   0.607% *  0.1414% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.62 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 = 0.02:
          HE1   TRP   87 - HE1   TRP   27  17.78 +/- 8.67 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 4.14 A violated in 16 structures by 13.76 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.48, residual support = 20.1:
        T HN    ALA   34 - HN    ASN   35   2.81 +/- 0.13  84.620% * 97.3743% (0.98 10.00   4.49  20.14) =  99.706%  kept
          HN    GLN   32 - HN    ASN   35   5.12 +/- 0.48  14.920% *  1.6169% (0.53  1.00   0.62   3.33) =   0.292%  kept
        T HN    LEU   80 - HN    ASN   35  22.81 +/- 3.12   0.200% *  0.9170% (0.92 10.00   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    ASN   35  27.68 +/- 2.90   0.105% *  0.0721% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  27.01 +/- 5.50   0.155% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.44, residual support = 19.0:
        T HN    SER   37 - HN    GLU-  36   2.44 +/- 0.19  99.100% * 99.7690% (0.98 10.00   4.44  18.96) =  99.999%  kept
          HN    ILE  119 - HN    GLU-  36  22.42 +/- 4.30   0.301% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - HN    GLU-  36  15.55 +/- 1.70   0.519% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  29.54 +/- 4.80   0.080% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.43, residual support = 30.3:
        T HN    LYS+  38 - HN    THR   39   2.74 +/- 0.43  96.339% * 99.8693% (1.00 10.00   5.43  30.35) =  99.999%  kept
          HN    LEU   31 - HN    THR   39  10.25 +/- 1.49   2.641% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  18.19 +/- 2.86   0.882% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  26.33 +/- 2.39   0.139% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.763, support = 3.99, residual support = 16.2:
          HN    MET   96 - HN    VAL   43   3.30 +/- 0.88  90.237% * 98.1549% (0.76   4.00  16.20) =  99.797%  kept
          HN    PHE   72 - HN    VAL   43   8.72 +/- 1.85   9.763% *  1.8451% (0.22   0.26   0.02) =   0.203%  kept
    Distance limit 3.88 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.376, support = 2.91, residual support = 3.35:
          HN    LEU   73 - HN    ASP-  44   6.68 +/- 2.34  45.771% * 66.9833% (0.38   3.55   4.82) =  65.862%  kept
          HN    VAL   42 - HN    ASP-  44   5.98 +/- 0.44  49.492% * 32.0124% (0.38   1.69   0.52) =  34.036%  kept
          HN    LYS+ 106 - HN    ASP-  44  13.04 +/- 1.05   4.736% *  1.0044% (1.00   0.02   0.02) =   0.102%  kept
    Distance limit 4.33 A violated in 1 structures by 0.87 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.8, residual support = 35.0:
          HN    VAL   42 - HN    VAL   43   4.26 +/- 0.19  69.312% * 66.7608% (0.38   6.28  40.09) =  85.029%  kept
          HN    LEU   73 - HN    VAL   43   7.20 +/- 2.78  24.835% * 32.6738% (0.38   3.07   6.40) =  14.911%  kept
          HN    LYS+ 106 - HN    VAL   43  10.14 +/- 1.08   5.853% *  0.5654% (1.00   0.02   0.02) =   0.061%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44   9.06 +/- 1.49  43.729% * 15.3753% (0.65   0.02   0.02) =  35.823%  kept
          HN    ALA   84 - HN    ASP-  44  13.76 +/- 2.83  18.144% * 23.7147% (1.00   0.02   0.02) =  22.925%  kept
          HN    ILE   56 - HN    ASP-  44  12.65 +/- 1.27  18.334% * 18.1638% (0.76   0.02   0.02) =  17.743%  kept
          HN    LYS+ 111 - HN    ASP-  44  14.79 +/- 2.32  13.778% * 23.7147% (1.00   0.02   0.02) =  17.409%  kept
          HE21  GLN   32 - HN    ASP-  44  20.23 +/- 2.66   6.015% * 19.0315% (0.80   0.02   0.02) =   6.099%  kept
    Distance limit 4.32 A violated in 20 structures by 4.03 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.54, support = 0.597, residual support = 2.18:
          QD    PHE   60 - HN    ASP-  44   5.49 +/- 1.47  56.447% * 36.0471% (0.41   0.75   3.04) =  71.179%  kept
          HN    LYS+  66 - HN    ASP-  44  10.75 +/- 1.92  13.933% * 25.4158% (0.90   0.24   0.02) =  12.388%  kept
          QE    PHE   59 - HN    ASP-  44   9.26 +/- 2.86  19.532% * 17.7026% (0.92   0.16   0.10) =  12.096%  kept
          HN    PHE   59 - HN    ASP-  44  11.41 +/- 0.90   5.984% * 20.4737% (0.57   0.31   0.10) =   4.285%  kept
          HN    LYS+  81 - HN    ASP-  44  14.20 +/- 2.08   4.103% *  0.3608% (0.15   0.02   0.02) =   0.052%
    Distance limit 4.62 A violated in 3 structures by 0.57 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.05 +/- 2.44  50.265% * 36.0114% (0.77   0.02   0.02) =  54.218%  kept
          HN    GLN   17 - HN    ASP-  62  16.08 +/- 3.17  35.923% * 29.1578% (0.63   0.02   0.02) =  31.373%  kept
          HN    TRP   87 - HN    ASP-  62  21.91 +/- 2.89  13.812% * 34.8308% (0.75   0.02   0.02) =  14.409%  kept
    Distance limit 3.50 A violated in 20 structures by 9.33 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 5.78, residual support = 41.8:
        T HN    LEU   63 - HN    ASP-  62   2.62 +/- 0.17  95.869% * 69.7593% (0.32 10.00   5.85  42.28) =  98.788%  kept
        T HN    ILE   56 - HN    ASP-  62   8.83 +/- 0.74   2.752% * 29.7361% (0.42 10.00   0.66   0.02) =   1.209%  kept
          HN    LYS+ 111 - HN    ASP-  62  14.38 +/- 2.40   0.793% *  0.1612% (0.75  1.00   0.02   0.02) =   0.002%
          HE21  GLN   32 - HN    ASP-  62  24.45 +/- 4.89   0.375% *  0.1822% (0.84  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ASP-  62  20.65 +/- 1.76   0.211% *  0.1612% (0.75  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.937, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73  10.52 +/- 2.20  83.659% * 48.0011% (0.92   0.02   0.02) =  82.536%  kept
          HN    ALA  110 - HN    LEU   73  19.21 +/- 3.04  16.341% * 51.9989% (1.00   0.02   0.02) =  17.464%  kept
    Distance limit 4.08 A violated in 20 structures by 6.36 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.461, support = 3.65, residual support = 17.3:
          HN    VAL   75 - HN    ASP-  76   4.35 +/- 0.17  63.520% * 44.2057% (0.28   4.64  26.43) =  59.186%  kept
          HN    ASP-  78 - HN    ASP-  76   5.43 +/- 0.51  35.010% * 55.2964% (0.73   2.22   4.06) =  40.805%  kept
          HN    LYS+ 112 - HN    ASP-  76  19.71 +/- 3.60   0.971% *  0.3074% (0.45   0.02   0.02) =   0.006%
          HN    MET   11 - HN    ASP-  76  28.50 +/- 4.78   0.499% *  0.1906% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.70 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 = 28.9:
        T HN    LYS+ 111 - HN    LYS+ 112   3.94 +/- 0.58  84.697% * 97.6939% (0.87 10.00   5.34  28.92) =  99.734%  kept
          HN    ILE   56 - HN    LYS+ 112   8.89 +/- 1.64  10.628% *  2.0558% (0.49  1.00   0.75   7.90) =   0.263%  kept
          HN    LEU   63 - HN    LYS+ 112  14.04 +/- 2.00   3.663% *  0.0423% (0.38  1.00   0.02   0.02) =   0.002%
          HN    ALA   84 - HN    LYS+ 112  21.52 +/- 2.88   0.796% *  0.0977% (0.87  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  31.74 +/- 4.82   0.217% *  0.1104% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.517, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HN    GLN  116   9.32 +/- 1.86  36.953% * 26.8436% (0.65   0.02   0.02) =  56.212%  kept
          QD    PHE   55 - HN    GLN  116   8.10 +/- 1.72  46.866% * 11.5373% (0.28   0.02   0.02) =  30.641%  kept
          HN    LYS+  81 - HN    GLN  116  25.05 +/- 2.54   2.189% * 39.2529% (0.95   0.02   0.02) =   4.870%  kept
          HE3   TRP   27 - HN    GLN  116  20.39 +/- 3.59   5.244% * 14.1544% (0.34   0.02   0.02) =   4.206%  kept
          HN    LYS+  66 - HN    GLN  116  15.02 +/- 1.83   8.748% *  8.2119% (0.20   0.02   0.02) =   4.071%  kept
    Distance limit 4.40 A violated in 18 structures by 2.72 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.787, support = 6.08, residual support = 47.7:
      O   HA    ILE  119 - HN    ALA  120   3.61 +/- 0.02  60.527% * 83.0578% (0.80  10.0   6.23  53.09) =  89.702%  kept
          HA    THR  118 - HN    ALA  120   4.38 +/- 0.26  34.529% * 16.7098% (0.67   1.0   4.81   0.48) =  10.295%  kept
          HA2   GLY  109 - HN    ALA  120  15.06 +/- 3.00   1.600% *  0.0394% (0.38   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ALA  120  11.42 +/- 1.32   2.509% *  0.0189% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  23.36 +/- 2.70   0.267% *  0.0767% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  20.13 +/- 2.53   0.405% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  26.50 +/- 2.19   0.164% *  0.0581% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.983, residual support = 5.14:
          HA    SER  117 - HN    ALA  120   3.87 +/- 0.30  92.172% * 96.3173% (0.92   0.98   5.14) =  99.916%  kept
          HA    ASP-  62 - HN    ALA  120  12.57 +/- 1.46   3.786% *  1.0325% (0.49   0.02   0.02) =   0.044%
          HA    ALA   57 - HN    ALA  120  13.13 +/- 1.00   2.514% *  0.8068% (0.38   0.02   0.02) =   0.023%
          HB    THR   26 - HN    ALA  120  24.99 +/- 5.33   0.855% *  1.4997% (0.71   0.02   0.02) =   0.014%
          HA1   GLY   51 - HN    ALA  120  21.14 +/- 2.19   0.673% *  0.3437% (0.16   0.02   0.02) =   0.003%
    Distance limit 4.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.16, residual support = 120.4:
      O   HG3   GLN  116 - HE21  GLN  116   3.52 +/- 0.55  98.419% * 99.8198% (0.69  10.0   4.16 120.41) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  25.06 +/- 3.17   0.393% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  18.82 +/- 1.90   0.873% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  28.15 +/- 4.42   0.314% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 0.686, support = 3.46, residual support = 86.1:
          HB3   LEU  115 - HE21  GLN  116   7.87 +/- 1.79  16.820% * 60.4034% (0.95   3.61 100.08) =  51.544%  kept
          HG    LEU  115 - HE21  GLN  116   7.48 +/- 1.99  21.640% * 31.3788% (0.41   4.31 100.08) =  34.450%  kept
          QB    ALA  120 - HE21  GLN  116   5.06 +/- 1.92  44.178% *  6.1870% (0.41   0.85   0.15) =  13.867%  kept
          QB    ALA   61 - HE21  GLN  116  11.59 +/- 2.09   3.771% *  0.1207% (0.34   0.02   0.02) =   0.023%
          HG    LEU   40 - HE21  GLN  116  16.70 +/- 3.32   1.287% *  0.3348% (0.95   0.02   0.02) =   0.022%
          QG    LYS+  66 - HE21  GLN  116  14.95 +/- 3.60   1.627% *  0.2431% (0.69   0.02   0.02) =   0.020%
          HG    LEU   73 - HE21  GLN  116  20.83 +/- 4.64   1.208% *  0.3070% (0.87   0.02   0.02) =   0.019%
          QB    ALA  110 - HE21  GLN  116  10.86 +/- 1.92   5.688% *  0.0620% (0.18   0.02   0.02) =   0.018%
          HG    LEU   67 - HE21  GLN  116  17.57 +/- 3.21   0.995% *  0.3070% (0.87   0.02   0.02) =   0.016%
          HB3   LEU   67 - HE21  GLN  116  16.98 +/- 3.79   1.265% *  0.1723% (0.49   0.02   0.02) =   0.011%
          HG2   LYS+ 102 - HE21  GLN  116  25.71 +/- 3.78   0.325% *  0.3348% (0.95   0.02   0.02) =   0.006%
          HB3   LEU   40 - HE21  GLN  116  17.81 +/- 3.44   0.951% *  0.0788% (0.22   0.02   0.02) =   0.004%
          HG    LEU   80 - HE21  GLN  116  26.66 +/- 3.36   0.246% *  0.0700% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.481, support = 1.52, residual support = 0.818:
          QB    GLU- 114 - HN    SER  117   4.88 +/- 0.28  40.741% * 62.9007% (0.61   1.39   0.91) =  68.599%  kept
          HB    ILE  119 - HN    SER  117   4.90 +/- 0.81  42.299% * 27.2191% (0.20   1.84   0.62) =  30.820%  kept
          HB2   LYS+ 111 - HN    SER  117   8.27 +/- 1.45  10.481% *  1.4888% (1.00   0.02   0.02) =   0.418%  kept
          HB3   GLU-  25 - HN    SER  117  28.38 +/- 6.16   0.838% *  1.3774% (0.92   0.02   0.02) =   0.031%
          HB3   PRO   68 - HN    SER  117  19.73 +/- 3.68   0.920% *  1.2463% (0.84   0.02   0.02) =   0.031%
          HG2   PRO   68 - HN    SER  117  18.38 +/- 4.52   1.467% *  0.6689% (0.45   0.02   0.02) =   0.026%
          QB    GLU-  15 - HN    SER  117  22.27 +/- 2.60   0.579% *  1.4888% (1.00   0.02   0.02) =   0.023%
          HB2   GLN   17 - HN    SER  117  22.60 +/- 2.97   0.531% *  1.4888% (1.00   0.02   0.02) =   0.021%
          HB    ILE   19 - HN    SER  117  21.37 +/- 2.98   0.666% *  0.7850% (0.53   0.02   0.02) =   0.014%
          HG3   GLN   30 - HN    SER  117  23.59 +/- 4.10   0.507% *  0.6689% (0.45   0.02   0.02) =   0.009%
          HB2   GLN   30 - HN    SER  117  22.41 +/- 3.76   0.598% *  0.2953% (0.20   0.02   0.02) =   0.005%
          HB3   GLU- 100 - HN    SER  117  23.80 +/- 2.63   0.373% *  0.3721% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.871, support = 2.47, residual support = 2.8:
          HB3   LEU  115 - HN    SER  117   5.29 +/- 0.40  29.346% * 40.6139% (0.92   2.62   2.25) =  41.373%  kept
          HG    LEU  115 - HN    SER  117   5.54 +/- 0.79  27.822% * 41.0383% (0.84   2.93   2.25) =  39.635%  kept
          QB    ALA  120 - HN    SER  117   5.21 +/- 0.70  32.026% * 17.0186% (0.84   1.21   5.14) =  18.920%  kept
          HG    LEU   40 - HN    SER  117  14.79 +/- 3.58   2.513% *  0.3101% (0.92   0.02   0.02) =   0.027%
          HB3   LEU   40 - HN    SER  117  16.14 +/- 3.85   2.073% *  0.2038% (0.61   0.02   0.02) =   0.015%
          HG    LEU   67 - HN    SER  117  17.31 +/- 2.71   0.998% *  0.3293% (0.98   0.02   0.02) =   0.011%
          QG    LYS+  66 - HN    SER  117  15.91 +/- 2.85   2.239% *  0.0934% (0.28   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    SER  117  19.04 +/- 4.57   1.271% *  0.1506% (0.45   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HN    SER  117  22.48 +/- 2.92   0.488% *  0.1902% (0.57   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    SER  117  16.68 +/- 3.17   1.223% *  0.0518% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.76 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 = 3.28, residual support = 16.2:
          HB2   PHE   97 - HN    LEU  104   3.18 +/- 0.46  70.714% * 79.9164% (1.00   3.38  16.72) =  96.180%  kept
          QE    LYS+ 106 - HN    LEU  104   6.76 +/- 1.02  11.322% * 15.5028% (0.76   0.86   0.02) =   2.987%  kept
          QE    LYS+  99 - HN    LEU  104   6.93 +/- 1.18  12.534% *  3.7608% (0.38   0.42  18.85) =   0.802%  kept
          HB3   TRP   27 - HN    LEU  104  16.42 +/- 5.26   3.003% *  0.4691% (0.99   0.02   0.79) =   0.024%
          HB3   PHE   60 - HN    LEU  104  15.27 +/- 3.00   1.102% *  0.2679% (0.57   0.02   0.02) =   0.005%
          QE    LYS+  38 - HN    LEU  104  13.69 +/- 2.23   1.324% *  0.0829% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.934, support = 5.4, residual support = 36.0:
          HG12  ILE  103 - HN    LEU  104   4.01 +/- 0.44  60.783% * 83.2721% (0.97   5.63  38.45) =  93.673%  kept
          QB    LYS+ 102 - HN    LEU  104   5.70 +/- 0.23  22.165% * 15.2205% (0.49   2.04   0.27) =   6.244%  kept
          HB    VAL   41 - HN    LEU  104   9.23 +/- 2.30  10.332% *  0.3066% (1.00   0.02   0.02) =   0.059%
          QB    LYS+  66 - HN    LEU  104  17.51 +/- 3.91   1.538% *  0.2900% (0.95   0.02   0.02) =   0.008%
          HG    LEU  123 - HN    LEU  104  19.32 +/- 5.52   0.987% *  0.2343% (0.76   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    LEU  104  22.32 +/- 4.12   0.942% *  0.2343% (0.76   0.02   0.02) =   0.004%
          HG2   PRO   93 - HN    LEU  104  17.71 +/- 1.09   0.799% *  0.2226% (0.73   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    LEU  104  16.17 +/- 4.43   1.592% *  0.1046% (0.34   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    LEU  104  17.68 +/- 2.44   0.862% *  0.1151% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 2.21, residual support = 31.7:
          QB    LEU   98 - HN    ILE  103   3.86 +/- 0.24  86.716% * 90.8670% (0.61   2.21  31.78) =  99.849%  kept
          HD3   LYS+ 121 - HN    ILE  103  17.64 +/- 6.73   2.863% *  1.2144% (0.90   0.02   0.02) =   0.044%
          QB    ALA  110 - HN    ILE  103  17.23 +/- 2.05   1.226% *  1.0843% (0.80   0.02   0.02) =   0.017%
          HB3   LYS+  74 - HN    ILE  103  20.03 +/- 3.73   0.965% *  1.1746% (0.87   0.02   0.02) =   0.014%
          HG12  ILE   19 - HN    ILE  103  19.09 +/- 4.00   0.964% *  1.1746% (0.87   0.02   0.02) =   0.014%
          HB2   LEU   80 - HN    ILE  103  20.50 +/- 4.39   0.811% *  1.3273% (0.98   0.02   0.02) =   0.014%
          HG    LEU   80 - HN    ILE  103  20.89 +/- 4.90   0.965% *  1.0349% (0.76   0.02   0.02) =   0.013%
          QB    ALA   12 - HN    ILE  103  24.02 +/- 4.49   2.010% *  0.4619% (0.34   0.02   0.02) =   0.012%
          QB    ALA   61 - HN    ILE  103  18.25 +/- 1.95   0.970% *  0.7666% (0.57   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    ILE  103  18.97 +/- 4.07   1.269% *  0.5567% (0.41   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    ILE  103  21.19 +/- 4.30   1.242% *  0.3377% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.45 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 = 0.811, support = 5.29, residual support = 36.6:
          QD2   LEU  104 - HN    ILE  103   4.71 +/- 0.76  33.748% * 79.8776% (1.00   5.63  38.45) =  72.645%  kept
          QD1   LEU   98 - HN    ILE  103   3.74 +/- 0.89  52.418% * 19.3398% (0.31   4.41  31.78) =  27.319%  kept
          QG1   VAL   43 - HN    ILE  103   8.82 +/- 1.67   4.858% *  0.0968% (0.34   0.02   0.02) =   0.013%
          QG1   VAL   41 - HN    ILE  103   9.28 +/- 2.86   6.746% *  0.0562% (0.20   0.02   0.02) =   0.010%
          QD1   ILE   19 - HN    ILE  103  16.42 +/- 3.26   0.829% *  0.2739% (0.97   0.02   0.02) =   0.006%
          QG2   THR   46 - HN    ILE  103  16.58 +/- 2.41   0.791% *  0.1950% (0.69   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    ILE  103  17.69 +/- 3.47   0.611% *  0.1607% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.66 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 = 216.5:
          QD1   LEU  104 - HN    LEU  104   3.79 +/- 0.60  70.973% * 97.1199% (0.41   6.87 216.83) =  99.831%  kept
          QD1   LEU   63 - HN    LEU  104  11.54 +/- 2.95   5.053% *  0.6637% (0.97   0.02   0.02) =   0.049%
          QD1   LEU   73 - HN    LEU  104  12.95 +/- 3.73   3.915% *  0.6637% (0.97   0.02   0.02) =   0.038%
          QD2   LEU   63 - HN    LEU  104  11.98 +/- 3.29   4.991% *  0.4994% (0.73   0.02   0.02) =   0.036%
          QG2   VAL   41 - HN    LEU  104   8.28 +/- 1.96  11.459% *  0.1361% (0.20   0.02   0.02) =   0.023%
          QD2   LEU  115 - HN    LEU  104  12.95 +/- 2.51   2.504% *  0.4724% (0.69   0.02   0.02) =   0.017%
          QD2   LEU   80 - HN    LEU  104  17.22 +/- 3.03   1.105% *  0.4449% (0.65   0.02   0.02) =   0.007%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.572, support = 4.82, residual support = 20.4:
          QD1   LEU   98 - HN    ASP- 105   5.58 +/- 0.64  28.329% * 72.2749% (0.95   3.19   5.71) =  51.512%  kept
          QD2   LEU  104 - HN    ASP- 105   3.76 +/- 0.74  70.188% * 27.4539% (0.18   6.55  35.97) =  48.478%  kept
          QG2   ILE   19 - HN    ASP- 105  16.16 +/- 2.80   1.483% *  0.2712% (0.57   0.02   0.02) =   0.010%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.895, support = 4.01, residual support = 134.6:
          HG3   LYS+ 106 - HN    LYS+ 106   3.46 +/- 0.76  57.265% * 95.5272% (0.90   4.01 134.86) =  99.842%  kept
          QB    ALA   84 - HN    LYS+ 106  17.46 +/- 4.43   9.723% *  0.1638% (0.31   0.02   0.02) =   0.029%
          HD3   LYS+ 121 - HN    LYS+ 106  12.69 +/- 6.76  14.432% *  0.0929% (0.18   0.02   0.02) =   0.024%
          QB    LEU   98 - HN    LYS+ 106   8.54 +/- 0.63   5.319% *  0.2182% (0.41   0.02   0.02) =   0.021%
          HB    VAL   42 - HN    LYS+ 106  11.74 +/- 1.79   2.117% *  0.5296% (1.00   0.02   0.02) =   0.020%
          HG3   LYS+ 102 - HN    LYS+ 106  12.34 +/- 1.24   1.977% *  0.5260% (0.99   0.02   0.02) =   0.019%
          HB2   LYS+ 112 - HN    LYS+ 106  14.46 +/- 2.57   1.362% *  0.5122% (0.97   0.02   0.02) =   0.013%
          HB3   LEU   73 - HN    LYS+ 106  17.48 +/- 4.00   0.899% *  0.5296% (1.00   0.02   0.02) =   0.009%
          HG    LEU   98 - HN    LYS+ 106  10.28 +/- 1.21   2.746% *  0.1182% (0.22   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    LYS+ 106  13.01 +/- 0.99   1.565% *  0.1810% (0.34   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    LYS+ 106  20.46 +/- 1.79   0.441% *  0.5296% (1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LYS+ 106  21.70 +/- 1.70   0.290% *  0.5202% (0.98   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    LYS+ 106  15.67 +/- 4.16   1.156% *  0.0819% (0.15   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LYS+ 106  25.80 +/- 3.68   0.258% *  0.3646% (0.69   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    LYS+ 106  19.77 +/- 3.26   0.450% *  0.1050% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.84, residual support = 26.2:
          QG1   VAL  107 - HN    LYS+ 106   4.51 +/- 0.72  69.069% * 97.0486% (0.53   2.85  26.29) =  99.753%  kept
          QG2   VAL   24 - HN    LYS+ 106  17.13 +/- 5.28   6.554% *  1.1233% (0.87   0.02   0.02) =   0.110%  kept
          HG    LEU   63 - HN    LYS+ 106  14.74 +/- 2.74   3.005% *  0.9403% (0.73   0.02   0.02) =   0.042%
          QG1   VAL   24 - HN    LYS+ 106  18.37 +/- 5.72   9.611% *  0.2883% (0.22   0.02   0.02) =   0.041%
          HG3   LYS+ 112 - HN    LYS+ 106  14.21 +/- 3.06   6.421% *  0.3997% (0.31   0.02   0.02) =   0.038%
          HD3   LYS+ 112 - HN    LYS+ 106  15.36 +/- 3.05   5.341% *  0.1998% (0.15   0.02   0.02) =   0.016%
    Distance limit 4.90 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.51, residual support = 64.9:
          QG1   VAL  108 - HN    VAL  108   3.57 +/- 0.15  94.698% * 99.4328% (0.98   4.51  64.93) =  99.989%  kept
          QD1   LEU   40 - HN    VAL  108  13.36 +/- 1.19   1.973% *  0.2187% (0.49   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    VAL  108  15.07 +/- 2.44   1.727% *  0.2364% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   67 - HN    VAL  108  16.17 +/- 3.03   1.601% *  0.1120% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.48 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 = 0.997, support = 2.82, residual support = 7.57:
          QG2   ILE   89 - HN    ALA   91   3.63 +/- 0.77  66.156% * 98.4734% (1.00   2.83   7.59) =  99.698%  kept
          QD1   LEU  104 - HN    TRP   27  16.24 +/- 6.00  20.661% *  0.7815% (0.02   1.18   0.79) =   0.247%  kept
          QG1   VAL   83 - HN    ALA   91   9.38 +/- 1.54   7.057% *  0.3668% (0.53   0.02   0.02) =   0.040%
          QG1   VAL   83 - HN    TRP   27  15.40 +/- 6.71   4.844% *  0.1846% (0.07   0.08   0.02) =   0.014%
          QG2   ILE   89 - HN    TRP   27  17.95 +/- 4.35   0.821% *  0.0861% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  19.97 +/- 2.31   0.462% *  0.1076% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.452, support = 5.26, residual support = 38.0:
          HG3   LYS+  99 - HN    GLU- 100   3.87 +/- 0.55  41.216% * 94.9591% (0.45   5.31  38.37) =  99.056%  kept
          QG2   THR   39 - HN    GLU- 100   8.44 +/- 5.67  19.211% *  0.7551% (0.95   0.02   0.02) =   0.367%  kept
          QB    ALA   34 - HN    GLU- 100   8.15 +/- 4.81  19.864% *  0.5797% (0.73   0.02   0.02) =   0.291%  kept
          HG3   LYS+  38 - HN    GLU- 100  10.96 +/- 6.11   9.607% *  0.7912% (0.99   0.02   0.02) =   0.192%  kept
          QG2   THR   23 - HN    GLU- 100  18.02 +/- 5.25   3.719% *  0.2996% (0.38   0.02   0.02) =   0.028%
          HG    LEU   71 - HN    GLU- 100  13.99 +/- 6.38   3.456% *  0.2996% (0.38   0.02   0.02) =   0.026%
          HG13  ILE   19 - HN    GLU- 100  15.85 +/- 6.19   1.464% *  0.5164% (0.65   0.02   0.02) =   0.019%
          QG2   ILE   56 - HN    GLU- 100  18.90 +/- 2.27   0.448% *  0.7159% (0.90   0.02   0.02) =   0.008%
          HG2   LYS+  74 - HN    GLU- 100  19.04 +/- 4.62   0.713% *  0.3282% (0.41   0.02   0.02) =   0.006%
          QB    ALA   91 - HN    GLU- 100  20.94 +/- 1.59   0.302% *  0.7551% (0.95   0.02   0.02) =   0.006%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.564, support = 0.978, residual support = 5.5:
          QB    ALA   84 - HN    LYS+  81   4.50 +/- 0.13  79.273% * 76.0602% (0.57   0.98   5.53) =  99.426%  kept
          HG3   LYS+ 106 - HN    LYS+  81  20.59 +/- 4.61   2.602% *  2.7307% (1.00   0.02   0.02) =   0.117%  kept
          HB3   LEU   73 - HN    LYS+  81  16.39 +/- 2.86   2.221% *  2.5208% (0.92   0.02   0.02) =   0.092%
          HB3   PRO   93 - HN    LYS+  81  16.09 +/- 2.73   2.642% *  1.6563% (0.61   0.02   0.02) =   0.072%
          HB    VAL   42 - HN    LYS+  81  19.24 +/- 3.08   1.407% *  2.3687% (0.87   0.02   0.02) =   0.055%
          HG3   LYS+  65 - HN    LYS+  81  19.98 +/- 4.12   1.378% *  2.3687% (0.87   0.02   0.02) =   0.054%
          HB3   ASP-  44 - HN    LYS+  81  14.96 +/- 2.58   3.058% *  0.6080% (0.22   0.02   0.02) =   0.031%
          HB2   LYS+ 112 - HN    LYS+  81  23.94 +/- 3.32   0.652% *  2.6767% (0.98   0.02   0.02) =   0.029%
          HG3   LYS+ 102 - HN    LYS+  81  25.42 +/- 4.74   0.668% *  2.5832% (0.95   0.02   0.02) =   0.028%
          HG3   LYS+  33 - HN    LYS+  81  24.40 +/- 4.65   0.706% *  2.1866% (0.80   0.02   0.02) =   0.025%
          HG    LEU   98 - HN    LYS+  81  19.73 +/- 3.96   1.210% *  1.2243% (0.45   0.02   0.02) =   0.024%
          QB    ALA   12 - HN    LYS+  81  27.07 +/- 5.68   0.876% *  1.1226% (0.41   0.02   0.02) =   0.016%
          QB    LEU   98 - HN    LYS+  81  17.72 +/- 3.55   1.786% *  0.5404% (0.20   0.02   0.02) =   0.016%
          HB2   LEU   63 - HN    LYS+  81  20.43 +/- 3.05   1.147% *  0.4213% (0.15   0.02   0.02) =   0.008%
          QB    ALA  124 - HN    LYS+  81  28.06 +/- 2.82   0.375% *  0.9315% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.27 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 5.78, residual support = 211.3:
          QD1   ILE   89 - HN    ILE   89   2.99 +/- 0.79  74.155% * 94.4105% (0.92   5.88 215.30) =  98.142%  kept
          QG2   VAL   83 - HN    ILE   89   5.23 +/- 0.90  24.717% *  5.3507% (1.00   0.31   0.02) =   1.854%  kept
          QD2   LEU   31 - HN    ILE   89  18.36 +/- 4.57   1.127% *  0.2388% (0.69   0.02   0.02) =   0.004%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.369, support = 4.09, residual support = 10.4:
          QB    ALA   88 - HN    ILE   89   3.69 +/- 0.17  52.947% * 61.5235% (0.34   4.87   9.56) =  73.207%  kept
          QB    ALA   84 - HN    ILE   89   4.70 +/- 1.45  36.322% * 32.6489% (0.45   1.97  12.76) =  26.650%  kept
          HB3   LEU   80 - HN    ILE   89   9.88 +/- 1.65   3.640% *  0.7260% (0.98   0.02   0.02) =   0.059%
          HB3   ASP-  44 - HN    ILE   89  14.22 +/- 3.78   2.449% *  0.6186% (0.84   0.02   0.02) =   0.034%
          HB3   PRO   93 - HN    ILE   89  12.85 +/- 1.71   1.648% *  0.3045% (0.41   0.02   0.02) =   0.011%
          HG    LEU   98 - HN    ILE   89  19.67 +/- 6.36   1.113% *  0.4193% (0.57   0.02   0.02) =   0.010%
          HG2   LYS+ 111 - HN    ILE   89  18.77 +/- 3.32   0.534% *  0.7260% (0.98   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    ILE   89  24.15 +/- 5.64   0.390% *  0.7390% (1.00   0.02   0.02) =   0.006%
          HB2   LEU   63 - HN    ILE   89  20.63 +/- 3.09   0.414% *  0.6837% (0.92   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HN    ILE   89  26.03 +/- 5.81   0.250% *  0.5931% (0.80   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HN    ILE   89  29.29 +/- 5.68   0.154% *  0.5088% (0.69   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ILE   89  27.07 +/- 1.99   0.140% *  0.5088% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.75 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 = 0.686, support = 3.75, residual support = 34.1:
          QB    ALA   91 - HN    GLN   90   4.04 +/- 0.63  58.980% * 60.7409% (0.84   2.99  32.54) =  74.562%  kept
          HG12  ILE   89 - HN    GLN   90   5.16 +/- 0.45  33.564% * 36.3575% (0.25   5.99  38.75) =  25.398%  kept
          QG2   ILE   56 - HN    GLN   90  11.89 +/- 2.01   3.004% *  0.1826% (0.38   0.02   0.02) =   0.011%
          HG2   LYS+  74 - HN    GLN   90  16.66 +/- 2.41   1.214% *  0.4492% (0.92   0.02   0.02) =   0.011%
          HG13  ILE   19 - HN    GLN   90  26.00 +/- 5.61   0.345% *  0.4866% (1.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HN    GLN   90  23.51 +/- 3.52   0.376% *  0.4064% (0.84   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    GLN   90  25.64 +/- 3.87   0.308% *  0.4364% (0.90   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    GLN   90  16.89 +/- 3.11   1.275% *  0.0963% (0.20   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    GLN   90  26.86 +/- 3.80   0.244% *  0.4603% (0.95   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    GLN   90  21.02 +/- 3.42   0.514% *  0.1083% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    GLN   90  30.31 +/- 4.77   0.175% *  0.2755% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.92 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 = 3.02, residual support = 95.2:
      O   QG    GLN   90 - HE21  GLN   90   2.17 +/- 0.09  95.936% * 98.4545% (0.34  10.0   3.02  95.23) =  99.990%  kept
          HG3   MET   92 - HE21  GLN   90  10.89 +/- 3.05   2.856% *  0.2886% (1.00   1.0   0.02   0.17) =   0.009%
          HB3   ASP-  76 - HE21  GLN   90  15.72 +/- 3.08   0.399% *  0.1634% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HE21  GLN   90  23.39 +/- 2.93   0.096% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  16.94 +/- 2.73   0.308% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  30.20 +/- 5.22   0.055% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  24.36 +/- 2.27   0.075% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  24.10 +/- 2.69   0.084% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  31.20 +/- 4.82   0.045% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  31.34 +/- 6.67   0.070% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  31.61 +/- 7.14   0.076% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 5.67, residual support = 95.2:
      O   HB2   GLN   90 - HN    GLN   90   3.40 +/- 0.62  94.156% * 99.4917% (0.73  10.0   5.67  95.23) =  99.992%  kept
          HB3   GLU-  79 - HN    GLN   90  13.24 +/- 3.09   4.632% *  0.1343% (0.98   1.0   0.02   0.02) =   0.007%
          QB    GLU-  36 - HN    GLN   90  28.78 +/- 3.76   0.227% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  28.63 +/- 4.40   0.252% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  28.53 +/- 4.45   0.265% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  28.40 +/- 4.57   0.261% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  30.15 +/- 4.45   0.207% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.848, support = 5.35, residual support = 42.7:
          QD2   LEU   73 - HN    PHE   72   4.80 +/- 0.70  33.077% * 94.3751% (0.87   5.55  44.40) =  96.108%  kept
          QG2   VAL   18 - HN    PHE   72   7.05 +/- 5.15  30.088% *  3.6444% (0.34   0.54   1.42) =   3.376%  kept
          QG1   VAL   43 - HN    PHE   72   8.22 +/- 1.75   9.136% *  0.9667% (0.57   0.09   0.02) =   0.272%  kept
          QG1   VAL   41 - HN    PHE   72   6.89 +/- 2.16  20.258% *  0.2997% (0.76   0.02   0.02) =   0.187%  kept
          HG    LEU   31 - HN    PHE   72  11.12 +/- 1.71   3.069% *  0.3785% (0.97   0.02   0.02) =   0.036%
          QD1   ILE   56 - HN    PHE   72  13.10 +/- 1.28   1.854% *  0.2379% (0.61   0.02   0.02) =   0.014%
          QG2   THR   46 - HN    PHE   72  12.23 +/- 2.68   2.519% *  0.0978% (0.25   0.02   0.02) =   0.008%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 47.8:
          QB    ALA   64 - HN    PHE   72   4.46 +/- 1.57  95.258% * 99.9201% (1.00   4.38  47.83) =  99.996%  kept
          QB    ALA   47 - HN    PHE   72  15.43 +/- 1.29   4.742% *  0.0799% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.70 A violated in 3 structures by 0.44 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.702, support = 2.53, residual support = 7.54:
          HB    ILE   19 - HN    LYS+  74   8.00 +/- 5.15  38.547% * 91.8326% (0.71   2.57   7.68) =  98.264%  kept
          HB2   GLN   17 - HN    LYS+  74  12.56 +/- 5.70   8.538% *  4.6780% (0.43   0.22   0.02) =   1.109%  kept
          HG2   PRO   68 - HN    LYS+  74  14.54 +/- 2.07   9.261% *  0.7013% (0.69   0.02   0.02) =   0.180%  kept
          QB    GLU- 114 - HN    LYS+  74  17.81 +/- 3.46   7.469% *  0.7139% (0.71   0.02   0.02) =   0.148%  kept
          HB3   GLU-  25 - HN    LYS+  74  14.67 +/- 3.22   4.212% *  0.5729% (0.57   0.02   0.02) =   0.067%
          HB3   PRO   68 - HN    LYS+  74  14.43 +/- 2.72  12.067% *  0.1784% (0.18   0.02   0.02) =   0.060%
          HB2   LEU  115 - HN    LYS+  74  16.47 +/- 2.69   7.522% *  0.2440% (0.24   0.02   0.02) =   0.051%
          QB    GLU-  15 - HN    LYS+  74  14.91 +/- 4.47   4.215% *  0.4339% (0.43   0.02   0.02) =   0.051%
          HG3   PRO   58 - HN    LYS+  74  17.58 +/- 2.40   5.143% *  0.2685% (0.27   0.02   0.02) =   0.038%
          HB2   LYS+ 111 - HN    LYS+  74  21.19 +/- 4.06   3.026% *  0.3764% (0.37   0.02   0.02) =   0.032%
    Distance limit 4.69 A violated in 9 structures by 2.07 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.46, residual support = 42.7:
          QD1   LEU   73 - HN    LYS+  74   4.53 +/- 0.55  59.486% * 97.1507% (0.37   5.48  42.84) =  99.682%  kept
          QD1   LEU   63 - HN    LYS+  74   9.63 +/- 1.98  15.582% *  0.3546% (0.37   0.02   0.02) =   0.095%
          QD2   LEU   80 - HN    LYS+  74  10.58 +/- 2.55   7.767% *  0.6044% (0.64   0.02   0.02) =   0.081%
          QG1   VAL   83 - HN    LYS+  74  12.06 +/- 3.50   6.882% *  0.5151% (0.54   0.02   0.02) =   0.061%
          QD1   LEU  104 - HN    LYS+  74  15.33 +/- 4.07   4.013% *  0.6725% (0.71   0.02   0.02) =   0.047%
          QD2   LEU  115 - HN    LYS+  74  14.23 +/- 2.17   2.640% *  0.5846% (0.61   0.02   0.02) =   0.027%
          QG2   ILE   89 - HN    LYS+  74  13.49 +/- 2.89   3.631% *  0.1180% (0.12   0.02   0.02) =   0.007%
    Distance limit 4.69 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.358, support = 4.43, residual support = 26.5:
          QG2   THR   77 - HN    ASP-  78   3.61 +/- 0.75  55.992% * 77.3075% (0.34   4.64  27.53) =  95.002%  kept
          HB3   LEU   80 - HN    ASP-  78   6.97 +/- 1.03  12.850% * 16.6977% (0.69   0.50   6.91) =   4.709%  kept
          QB    ALA   88 - HN    ASP-  78  11.35 +/- 2.55   9.947% *  0.7091% (0.73   0.02   0.02) =   0.155%  kept
          QB    ALA   84 - HN    ASP-  78   6.93 +/- 1.28  13.493% *  0.1507% (0.15   0.02   0.02) =   0.045%
          HB3   ASP-  44 - HN    ASP-  78  10.13 +/- 1.50   4.308% *  0.4378% (0.45   0.02   0.02) =   0.041%
          HG2   LYS+ 111 - HN    ASP-  78  20.43 +/- 5.24   0.750% *  0.8758% (0.90   0.02   0.02) =   0.014%
          HB2   LEU   63 - HN    ASP-  78  15.27 +/- 2.96   0.976% *  0.5529% (0.57   0.02   0.02) =   0.012%
          HB2   LEU   31 - HN    ASP-  78  19.86 +/- 2.74   0.474% *  0.8157% (0.84   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HN    ASP-  78  24.88 +/- 3.40   0.248% *  0.9573% (0.98   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HN    ASP-  78  24.46 +/- 2.45   0.223% *  0.9766% (1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ASP-  78  18.64 +/- 2.02   0.526% *  0.2174% (0.22   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    ASP-  78  24.25 +/- 2.60   0.214% *  0.3014% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.941, support = 0.679, residual support = 0.392:
          QB    ALA   47 - HN    ASP-  78   8.60 +/- 4.11  57.821% * 56.2680% (0.92   0.75   0.49) =  68.408%  kept
          QG1   VAL   42 - HN    ASP-  78  11.70 +/- 1.87  35.334% * 42.2315% (0.98   0.53   0.17) =  31.376%  kept
          HG2   LYS+ 112 - HN    ASP-  78  19.57 +/- 3.39   6.846% *  1.5005% (0.92   0.02   0.02) =   0.216%  kept
    Distance limit 4.64 A violated in 12 structures by 3.04 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.666, support = 4.18, residual support = 24.8:
          HB    THR   77 - HN    ASP-  78   3.95 +/- 0.34  58.234% * 37.5941% (0.45   4.64  27.53) =  53.997%  kept
          HA    GLU-  79 - HN    ASP-  78   4.95 +/- 0.22  30.697% * 60.6840% (0.92   3.64  21.59) =  45.946%  kept
          HA    ALA   57 - HN    ASP-  78  14.66 +/- 3.46   2.045% *  0.3241% (0.90   0.02   0.02) =   0.016%
          HA1   GLY   51 - HN    ASP-  78  16.10 +/- 4.07   1.463% *  0.3605% (1.00   0.02   0.02) =   0.013%
          HA    ASP-  44 - HN    ASP-  78  10.68 +/- 1.16   3.402% *  0.1356% (0.38   0.02   0.02) =   0.011%
          HA    SER   85 - HN    ASP-  78  12.35 +/- 1.34   2.154% *  0.1620% (0.45   0.02   0.02) =   0.009%
          HA    THR   39 - HN    ASP-  78  23.06 +/- 2.00   0.317% *  0.3487% (0.97   0.02   0.02) =   0.003%
          HA    ILE  103 - HN    ASP-  78  20.74 +/- 2.22   0.500% *  0.2046% (0.57   0.02   0.02) =   0.003%
          HA    MET   11 - HN    ASP-  78  31.09 +/- 6.19   0.435% *  0.1233% (0.34   0.02   0.02) =   0.001%
          HA    SER  117 - HN    ASP-  78  24.00 +/- 3.71   0.752% *  0.0633% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.57, residual support = 39.8:
      O   HA    ASP-  78 - HN    ASP-  78   2.78 +/- 0.07  91.718% * 98.6701% (1.00  10.0   4.57  39.87) =  99.918%  kept
          HA    LEU   80 - HN    ASP-  78   7.03 +/- 0.51   6.072% *  1.1955% (0.49   1.0   0.50   6.91) =   0.080%
          HA    THR   23 - HN    ASP-  78  15.96 +/- 5.93   1.258% *  0.0856% (0.87   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ASP-  78  18.01 +/- 5.69   0.663% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.65 +/- 2.85   0.290% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.987, support = 8.2, residual support = 197.2:
      O   HA    ILE  119 - HN    ILE  119   2.86 +/- 0.06  54.797% * 50.7779% (1.00  10.0   8.60 272.16) =  62.993%  kept
      O   HA    THR  118 - HN    ILE  119   3.39 +/- 0.13  33.356% * 49.0042% (0.97  10.0   7.53  69.70) =  37.005%  kept
          HA2   GLY  109 - HN    ILE  119  13.33 +/- 3.04   1.599% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    CYS   21   9.99 +/- 6.70   8.503% *  0.0028% (0.06   1.0   0.02   1.45) =   0.001%
          HB2   TRP   49 - HN    ILE  119  21.66 +/- 2.59   0.151% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  18.71 +/- 3.10   0.394% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  20.21 +/- 3.96   0.296% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  24.40 +/- 2.15   0.095% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  20.86 +/- 6.83   0.297% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  23.60 +/- 6.19   0.164% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  18.37 +/- 2.51   0.244% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  23.82 +/- 2.30   0.103% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.708, support = 5.3, residual support = 30.0:
          HB2   CYS   53 - HN    ARG+  54   3.11 +/- 0.29  62.931% * 75.7146% (0.72   5.50  31.69) =  94.346%  kept
          HD3   PRO   52 - HN    ARG+  54   5.26 +/- 0.15  14.289% * 13.2866% (0.26   2.65   1.91) =   3.759%  kept
          HD2   PRO   58 - HN    ARG+  54   6.78 +/- 1.50   9.566% *  9.3201% (0.87   0.56   0.02) =   1.765%  kept
          HD2   PRO   58 - HN    ASP-  62   6.53 +/- 0.88   8.389% *  0.7340% (0.16   0.24   0.02) =   0.122%  kept
          HB2   CYS   53 - HN    ASP-  62  10.68 +/- 1.94   2.716% *  0.0515% (0.14   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    ARG+  54  19.24 +/- 2.46   0.427% *  0.3126% (0.82   0.02   0.02) =   0.003%
          HA    GLU- 100 - HN    ARG+  54  27.97 +/- 3.13   0.100% *  0.3010% (0.79   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    ARG+  54  26.15 +/- 2.57   0.121% *  0.1229% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  21.12 +/- 2.70   0.241% *  0.0585% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.28 +/- 3.30   0.206% *  0.0563% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  15.77 +/- 1.52   0.593% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  18.64 +/- 3.07   0.421% *  0.0230% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.816, support = 0.652, residual support = 0.306:
          QG2   VAL   18 - HN    ALA   61  10.86 +/- 4.09  15.532% * 43.6856% (0.95   0.89   0.47) =  39.946%  kept
          QG2   THR   46 - HN    ALA   61   7.54 +/- 3.42  28.463% * 20.6647% (0.87   0.46   0.27) =  34.627%  kept
          QD2   LEU   73 - HN    ALA   61   9.01 +/- 2.45  22.144% * 10.4476% (0.25   0.81   0.16) =  13.620%  kept
          QG1   VAL   41 - HN    ALA   61  12.83 +/- 1.61   7.121% * 13.8131% (0.92   0.29   0.02) =   5.790%  kept
          QG1   VAL   43 - HN    ALA   61  10.48 +/- 0.80   9.948% *  6.7934% (1.00   0.13   0.02) =   3.979%  kept
          QD1   ILE   19 - HN    ALA   61  13.53 +/- 2.51   8.189% *  3.8207% (0.53   0.14   0.02) =   1.842%  kept
          QD2   LEU  104 - HN    ALA   61  14.74 +/- 2.36   5.444% *  0.3874% (0.38   0.02   0.02) =   0.124%  kept
          HG    LEU   31 - HN    ALA   61  17.00 +/- 3.33   3.158% *  0.3874% (0.38   0.02   0.02) =   0.072%
    Distance limit 4.71 A violated in 9 structures by 1.18 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.918, support = 5.65, residual support = 51.8:
          QB    GLU-  36 - HN    ASN   35   4.43 +/- 0.29  64.908% * 96.6982% (0.92   5.69  52.16) =  99.252%  kept
          HB2   LYS+  38 - HN    ASN   35   6.78 +/- 0.80  21.158% *  2.0198% (0.28   0.39   0.02) =   0.676%  kept
          HB3   GLU-  29 - HN    ASN   35   9.19 +/- 0.89   8.357% *  0.3650% (0.99   0.02   0.02) =   0.048%
          HG3   GLU-  29 - HN    ASN   35  11.18 +/- 0.83   4.608% *  0.2674% (0.73   0.02   0.02) =   0.019%
          HB3   GLU-  79 - HN    ASN   35  21.68 +/- 2.85   0.693% *  0.3194% (0.87   0.02   0.02) =   0.004%
          HB2   GLN   90 - HN    ASN   35  29.68 +/- 3.91   0.276% *  0.3302% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 47.5:
      O   QB    MET   11 - HN    MET   11   2.89 +/- 0.46  90.717% * 99.3665% (0.69  10.0   3.00  47.54) =  99.996%  kept
          HG3   GLU-  25 - HN    MET   11  26.22 +/- 7.51   3.072% *  0.0286% (0.20   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    MET   11   9.81 +/- 1.20   3.409% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   11  12.09 +/- 1.37   1.741% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    MET   11  19.55 +/- 4.88   0.450% *  0.1255% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  31.70 +/- 5.64   0.157% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  36.97 +/- 6.64   0.131% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  32.01 +/- 4.66   0.102% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  28.07 +/- 4.09   0.165% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  38.61 +/- 5.34   0.055% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 47.5:
          HG2   MET   11 - HN    MET   11   3.75 +/- 0.82  90.111% * 97.3781% (0.92   3.31  47.54) =  99.951%  kept
          HB2   GLU-  14 - HN    MET   11  10.93 +/- 1.67   5.256% *  0.6025% (0.95   0.02   0.02) =   0.036%
          QB    GLN   32 - HN    MET   11  19.87 +/- 4.91   2.629% *  0.1771% (0.28   0.02   0.02) =   0.005%
          HG2   PRO   58 - HN    MET   11  31.31 +/- 6.83   0.495% *  0.6243% (0.98   0.02   0.02) =   0.004%
          HB2   PRO   68 - HN    MET   11  21.61 +/- 4.71   0.731% *  0.3100% (0.49   0.02   0.02) =   0.003%
          HB    VAL   24 - HN    MET   11  27.01 +/- 6.55   0.501% *  0.1418% (0.22   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    MET   11  39.88 +/- 5.58   0.097% *  0.6243% (0.98   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    MET   11  32.81 +/- 5.11   0.179% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 47.5:
          HG3   MET   11 - HN    MET   11   3.15 +/- 0.52  95.330% * 98.0252% (0.92   3.31  47.54) =  99.981%  kept
          HB3   GLU-  14 - HN    MET   11  11.54 +/- 1.39   2.702% *  0.4901% (0.76   0.02   0.02) =   0.014%
          HB3   PRO   58 - HN    MET   11  30.26 +/- 6.37   0.356% *  0.4405% (0.69   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    MET   11  21.40 +/- 3.89   0.615% *  0.2187% (0.34   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    MET   11  36.91 +/- 6.08   0.188% *  0.3121% (0.49   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    MET   11  22.82 +/- 3.56   0.345% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  30.63 +/- 3.87   0.149% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  23.44 +/- 2.69   0.313% *  0.0989% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.792, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  19.53 +/- 3.95  34.792% * 22.9200% (1.00   0.02   0.02) =  50.131%  kept
          HD3   LYS+  74 - HN    MET   11  25.64 +/- 5.66  17.948% * 12.0587% (0.53   0.02   0.02) =  13.606%  kept
          QG    LYS+  81 - HN    MET   11  32.35 +/- 5.76   8.326% * 19.1444% (0.84   0.02   0.02) =  10.020%  kept
          HG2   LYS+ 106 - HN    MET   11  34.59 +/- 4.93   7.353% * 17.5161% (0.76   0.02   0.02) =   8.097%  kept
          HB3   LYS+ 121 - HN    MET   11  29.19 +/- 4.92  13.414% *  8.6021% (0.38   0.02   0.02) =   7.254%  kept
          HG    LEU  104 - HN    MET   11  30.13 +/- 5.86  11.528% *  8.6021% (0.38   0.02   0.02) =   6.234%  kept
          HB3   LYS+ 111 - HN    MET   11  37.49 +/- 5.61   6.640% * 11.1564% (0.49   0.02   0.02) =   4.657%  kept
    Distance limit 4.41 A violated in 20 structures by 12.63 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 = 11.8:
          HG2   MET   11 - HN    ALA   12   3.80 +/- 0.64  85.736% * 97.8405% (0.72   3.59  11.85) =  99.917%  kept
          HB2   GLU-  14 - HN    ALA   12   8.15 +/- 1.33  11.725% *  0.5444% (0.72   0.02   0.02) =   0.076%
          HG2   PRO   58 - HN    ALA   12  29.37 +/- 5.66   0.495% *  0.5348% (0.71   0.02   0.02) =   0.003%
          HB2   PRO   68 - HN    ALA   12  19.33 +/- 5.31   1.361% *  0.1517% (0.20   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  37.93 +/- 4.74   0.109% *  0.5348% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  30.74 +/- 4.65   0.204% *  0.2243% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  33.36 +/- 5.85   0.201% *  0.0956% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  34.74 +/- 4.41   0.168% *  0.0738% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 12.5:
      O   QB    ALA   12 - HN    ALA   12   2.82 +/- 0.20  96.730% * 99.1918% (0.68  10.0   2.29  12.51) =  99.997%  kept
          HG3   LYS+  33 - HN    ALA   12  17.29 +/- 3.65   0.724% *  0.0992% (0.68   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   12  30.29 +/- 5.86   0.335% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  21.72 +/- 3.20   0.304% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  22.60 +/- 4.08   0.266% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  22.19 +/- 4.19   0.482% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  24.03 +/- 4.06   0.277% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  23.12 +/- 1.95   0.191% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  27.78 +/- 5.34   0.256% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  34.11 +/- 6.10   0.086% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.59 +/- 4.11   0.098% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  31.44 +/- 6.14   0.137% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  30.77 +/- 4.55   0.114% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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   2.88 +/- 0.61  94.217% * 91.5357% (0.95   1.76   5.16) =  99.947%  kept
          HG3   LYS+  33 - HN    SER   13  15.37 +/- 3.31   1.695% *  1.0389% (0.95   0.02   0.02) =   0.020%
          HB3   LEU   73 - HN    SER   13  19.62 +/- 3.39   0.718% *  0.9173% (0.84   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    SER   13  20.12 +/- 4.18   1.296% *  0.4924% (0.45   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    SER   13  20.54 +/- 3.33   0.399% *  0.9849% (0.90   0.02   0.02) =   0.005%
          HB    VAL   42 - HN    SER   13  20.81 +/- 2.01   0.367% *  0.9849% (0.90   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    SER   13  22.10 +/- 3.89   0.329% *  0.7975% (0.73   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    SER   13  28.37 +/- 5.37   0.195% *  0.8794% (0.80   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    SER   13  25.71 +/- 4.78   0.266% *  0.4515% (0.41   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  32.08 +/- 5.32   0.105% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    SER   13  29.38 +/- 3.81   0.123% *  0.6661% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  29.49 +/- 6.36   0.155% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  28.58 +/- 4.36   0.134% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.45, support = 2.47, residual support = 6.65:
          QB    SER   13 - HN    GLU-  14   3.49 +/- 0.74  92.650% * 95.5795% (0.45   2.47   6.65) =  99.927%  kept
          HB3   SER   37 - HN    GLU-  14  13.78 +/- 3.61   2.847% *  0.9989% (0.58   0.02   0.02) =   0.032%
          HB    THR   39 - HN    GLU-  14  14.36 +/- 4.29   3.141% *  0.8215% (0.48   0.02   0.02) =   0.029%
          HB    THR  118 - HN    GLU-  14  24.71 +/- 3.40   0.476% *  1.1933% (0.70   0.02   0.02) =   0.006%
          HB3   SER   82 - HN    GLU-  14  30.68 +/- 7.83   0.691% *  0.4079% (0.24   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    GLU-  14  33.42 +/- 6.77   0.195% *  0.9989% (0.58   0.02   0.02) =   0.002%
    Distance limit 4.78 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 = 0.519, support = 3.82, residual support = 40.0:
          QG    GLU-  14 - HN    GLU-  14   3.03 +/- 0.69  68.387% * 68.3986% (0.53   4.05  45.24) =  87.999%  kept
          QG    GLU-  15 - HN    GLU-  14   5.40 +/- 0.87  21.716% * 29.2879% (0.42   2.18   1.59) =  11.966%  kept
          HB2   GLU-  29 - HN    GLU-  14  15.92 +/- 3.77   2.482% *  0.3213% (0.51   0.02   0.02) =   0.015%
          QB    MET   11 - HN    GLU-  14   7.81 +/- 1.00   5.627% *  0.0876% (0.14   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    GLU-  14  15.89 +/- 2.91   0.711% *  0.3695% (0.58   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HN    GLU-  14  21.76 +/- 3.58   0.309% *  0.3213% (0.51   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    GLU-  14  23.58 +/- 3.23   0.213% *  0.4385% (0.69   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    GLU-  14  30.99 +/- 6.08   0.176% *  0.3968% (0.62   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  14  31.14 +/- 5.95   0.184% *  0.2683% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  26.24 +/- 3.45   0.194% *  0.1103% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 3.76, residual support = 45.2:
      O   HB2   GLU-  14 - HN    GLU-  14   2.63 +/- 0.55  88.374% * 99.6047% (0.70  10.0   3.76  45.24) =  99.993%  kept
          HG2   MET   11 - HN    GLU-  14   9.02 +/- 1.54   4.403% *  0.0998% (0.70   1.0   0.02   0.02) =   0.005%
          HB2   PRO   68 - HN    GLU-  14  15.83 +/- 6.06   6.594% *  0.0278% (0.19   1.0   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    GLU-  14  26.02 +/- 3.55   0.185% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.76 +/- 4.74   0.186% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  34.57 +/- 3.63   0.060% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  30.24 +/- 4.19   0.117% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  30.64 +/- 3.55   0.081% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.76, residual support = 45.2:
      O   HB3   GLU-  14 - HN    GLU-  14   3.15 +/- 0.46  88.960% * 99.6986% (0.62  10.0   3.76  45.24) =  99.990%  kept
          HG3   MET   11 - HN    GLU-  14   9.48 +/- 1.68   9.667% *  0.0807% (0.51   1.0   0.02   0.02) =   0.009%
          HB2   LEU   40 - HN    GLU-  14  16.86 +/- 2.40   0.807% *  0.0850% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    GLU-  14  24.02 +/- 3.32   0.342% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  29.74 +/- 3.98   0.224% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.6, residual support = 84.2:
          QG    GLN   17 - HN    GLN   17   3.10 +/- 0.80  83.816% * 98.8350% (1.00   5.60  84.19) =  99.953%  kept
          HB    VAL   70 - HN    GLN   17  10.30 +/- 5.13   8.456% *  0.3467% (0.98   0.02   0.02) =   0.035%
          HB2   LYS+  38 - HN    GLN   17  14.57 +/- 3.84   4.621% *  0.0983% (0.28   0.02   0.02) =   0.005%
          HB2   GLU-  25 - HN    GLN   17  18.15 +/- 2.88   0.798% *  0.3505% (0.99   0.02   0.02) =   0.003%
          HB2   MET   96 - HN    GLN   17  18.98 +/- 4.58   0.630% *  0.2288% (0.65   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    GLN   17  19.17 +/- 6.48   1.017% *  0.0787% (0.22   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  19.86 +/- 6.84   0.663% *  0.0619% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.922, support = 5.28, residual support = 79.9:
      O   HB2   GLN   17 - HN    GLN   17   3.42 +/- 0.40  52.347% * 89.2385% (0.92  10.0   5.47  84.19) =  94.957%  kept
          QB    GLU-  15 - HN    GLN   17   4.24 +/- 0.44  30.414% *  7.6108% (0.92   1.0   1.71   0.02) =   4.705%  kept
          HB    ILE   19 - HN    GLN   17   7.57 +/- 1.04   6.338% *  1.6233% (0.80   1.0   0.42   0.02) =   0.209%  kept
          HB3   PRO   68 - HN    GLN   17  11.79 +/- 6.69   5.101% *  1.1715% (0.57   1.0   0.43   0.02) =   0.121%  kept
          HG2   PRO   68 - HN    GLN   17  12.49 +/- 6.12   2.866% *  0.0702% (0.73   1.0   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLN   17  18.71 +/- 3.00   0.584% *  0.0965% (1.00   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  10.98 +/- 1.90   1.984% *  0.0215% (0.22   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLN   17  22.02 +/- 2.24   0.223% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  26.76 +/- 3.71   0.142% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.26, residual support = 84.2:
      O   HB3   GLN   17 - HN    GLN   17   2.98 +/- 0.44  64.877% * 99.6298% (0.98  10.0   5.27  84.19) =  99.963%  kept
          HB2   LEU   71 - HN    GLN   17   8.67 +/- 7.32  26.173% *  0.0777% (0.76   1.0   0.02   0.02) =   0.031%
          QB    LYS+  65 - HN    GLN   17  12.97 +/- 4.02   1.671% *  0.0738% (0.73   1.0   0.02   0.02) =   0.002%
          HB    VAL   43 - HN    GLN   17  17.51 +/- 5.57   2.388% *  0.0283% (0.28   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  12.27 +/- 3.85   3.005% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  19.68 +/- 4.55   0.628% *  0.0616% (0.61   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HN    GLN   17  18.55 +/- 5.55   0.536% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  22.85 +/- 5.73   0.428% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  25.83 +/- 7.17   0.293% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 2.12, residual support = 7.87:
          QB    GLU-  15 - HN    GLY   16   2.67 +/- 0.71  70.394% * 39.0135% (0.98   1.94   5.55) =  79.651%  kept
          HB2   GLN   17 - HN    GLY   16   5.63 +/- 0.49  11.983% * 57.5759% (0.98   2.87  17.23) =  20.009%  kept
          HB3   PRO   68 - HN    GLY   16  12.01 +/- 7.00   6.107% *  1.5542% (0.78   0.10   0.02) =   0.275%  kept
          HB    ILE   19 - HN    GLY   16   8.91 +/- 1.33   4.549% *  0.2274% (0.55   0.02   0.02) =   0.030%
          HG2   PRO   68 - HN    GLY   16  12.73 +/- 6.38   2.374% *  0.1955% (0.47   0.02   0.02) =   0.013%
          HG3   GLN   30 - HN    GLY   16  11.79 +/- 2.10   1.401% *  0.1652% (0.40   0.02   0.02) =   0.007%
          HB3   GLU-  25 - HN    GLY   16  19.93 +/- 2.64   0.574% *  0.3800% (0.92   0.02   0.02) =   0.006%
          HB2   GLN   30 - HN    GLY   16  11.92 +/- 2.52   1.660% *  0.0704% (0.17   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    GLY   16  22.73 +/- 2.62   0.200% *  0.2599% (0.63   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    GLY   16  27.72 +/- 3.97   0.112% *  0.3982% (0.97   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLY   16  19.37 +/- 6.49   0.287% *  0.0894% (0.22   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  20.13 +/- 3.54   0.360% *  0.0704% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 49.7:
          QG    GLN   17 - HN    VAL   18   3.39 +/- 0.68  80.150% * 98.7495% (0.70   5.80  49.73) =  99.934%  kept
          HB    VAL   70 - HN    VAL   18   9.57 +/- 5.77  10.115% *  0.3032% (0.62   0.02   0.02) =   0.039%
          HB2   GLU-  25 - HN    VAL   18  16.73 +/- 3.49   2.860% *  0.3915% (0.81   0.02   0.02) =   0.014%
          HG3   GLU-  29 - HN    VAL   18  15.53 +/- 4.06   3.755% *  0.1169% (0.24   0.02   0.02) =   0.006%
          HB2   LYS+  38 - HN    VAL   18  16.66 +/- 3.57   1.289% *  0.3220% (0.66   0.02   0.02) =   0.005%
          HB2   MET   96 - HN    VAL   18  17.87 +/- 4.52   1.832% *  0.1169% (0.24   0.02   0.02) =   0.003%
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 4.97, residual support = 76.2:
      O   HB    VAL   18 - HN    VAL   18   2.50 +/- 0.36  81.026% * 93.7450% (0.70  10.0   4.98  76.43) =  99.598%  kept
          HB    ILE   19 - HN    VAL   18   6.79 +/- 0.43   5.061% *  5.7752% (0.21   1.0   4.02  22.88) =   0.383%  kept
          HB2   LEU   67 - HN    VAL   18   9.47 +/- 6.34  10.062% *  0.1221% (0.91   1.0   0.02   0.02) =   0.016%
          HG2   PRO   68 - HN    VAL   18  12.60 +/- 6.41   2.809% *  0.0359% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  19.50 +/- 3.41   0.298% *  0.1221% (0.91   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  19.25 +/- 3.39   0.298% *  0.1192% (0.89   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  22.09 +/- 4.43   0.195% *  0.0579% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  20.58 +/- 2.61   0.251% *  0.0226% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.346, support = 5.3, residual support = 48.1:
          HB3   GLN   17 - HN    VAL   18   3.85 +/- 0.54  56.213% * 82.0961% (0.33   5.46  49.73) =  96.778%  kept
          QB    LYS+  65 - HN    VAL   18  10.65 +/- 5.12   9.854% * 13.2429% (0.87   0.34   0.02) =   2.737%  kept
          HB2   LEU   71 - HN    VAL   18   9.86 +/- 6.50  13.944% *  0.7641% (0.84   0.02   0.02) =   0.223%  kept
          HB    VAL   41 - HN    VAL   18  13.62 +/- 5.17   9.307% *  0.5698% (0.62   0.02   0.02) =   0.111%  kept
          QB    LYS+  66 - HN    VAL   18  10.79 +/- 4.59   7.143% *  0.7358% (0.81   0.02   0.02) =   0.110%  kept
          HG2   PRO   93 - HN    VAL   18  20.42 +/- 5.64   0.974% *  0.8731% (0.96   0.02   0.02) =   0.018%
          QB    LYS+ 102 - HN    VAL   18  20.04 +/- 4.44   0.617% *  0.8501% (0.93   0.02   0.02) =   0.011%
          HG12  ILE  103 - HN    VAL   18  19.94 +/- 4.25   0.713% *  0.4288% (0.47   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    VAL   18  17.45 +/- 4.22   0.990% *  0.2196% (0.24   0.02   0.02) =   0.005%
          HB3   PRO   52 - HN    VAL   18  25.96 +/- 4.75   0.246% *  0.2196% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.889, support = 5.14, residual support = 73.4:
          QG2   VAL   18 - HN    VAL   18   2.45 +/- 0.64  68.316% * 72.2447% (0.91   5.25  76.43) =  94.295%  kept
          QD1   ILE   19 - HN    VAL   18   6.17 +/- 1.11  11.057% * 26.6524% (0.51   3.48  22.88) =   5.630%  kept
          QG1   VAL   41 - HN    VAL   18  11.24 +/- 4.15   8.568% *  0.2687% (0.89   0.02   0.02) =   0.044%
          QG1   VAL   43 - HN    VAL   18  13.19 +/- 4.44   2.298% *  0.2905% (0.96   0.02   0.02) =   0.013%
          QD2   LEU   73 - HN    VAL   18   9.43 +/- 4.31   6.166% *  0.0726% (0.24   0.02   0.21) =   0.009%
          HG    LEU   31 - HN    VAL   18  13.87 +/- 2.15   2.172% *  0.1093% (0.36   0.02   0.02) =   0.005%
          QG2   THR   46 - HN    VAL   18  15.72 +/- 5.45   0.755% *  0.2525% (0.84   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    VAL   18  15.81 +/- 3.94   0.668% *  0.1093% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.50 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 = 2.23, residual support = 8.03:
          QB    ALA   64 - HN    VAL   18   8.13 +/- 5.16  76.254% * 99.8605% (0.84   2.23   8.04) =  99.957%  kept
          QD1   LEU  115 - HN    VAL   18  16.11 +/- 3.32  23.746% *  0.1395% (0.13   0.02   0.02) =   0.043%
    Distance limit 4.38 A violated in 11 structures by 3.82 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.407, support = 4.01, residual support = 19.1:
          HN    PHE   59 - HN    PHE   60   2.76 +/- 0.22  54.067% * 57.0712% (0.44   4.29  19.98) =  85.644%  kept
          QE    PHE   59 - HN    THR  118   3.74 +/- 0.54  25.121% * 12.8381% (0.16   2.66  12.65) =   8.951%  kept
          QE    PHE   59 - HN    PHE   60   5.51 +/- 0.95   9.691% * 15.7766% (0.28   1.85  19.98) =   4.243%  kept
          HN    HIS  122 - HN    THR  118   6.93 +/- 0.30   3.512% * 11.5791% (0.21   1.82   5.28) =   1.129%  kept
          HN    PHE   59 - HN    THR  118   9.03 +/- 1.34   3.146% *  0.1504% (0.25   0.02  12.65) =   0.013%
          HN    HIS  122 - HN    PHE   60  11.36 +/- 1.21   0.932% *  0.2253% (0.37   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    GLU-  15  22.08 +/- 2.61   0.152% *  0.5704% (0.95   0.02   0.02) =   0.002%
          HN    HIS  122 - HN    GLU-  15  20.02 +/- 3.20   0.175% *  0.4828% (0.80   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    PHE   60   9.03 +/- 0.95   1.658% *  0.0493% (0.08   0.02   0.02) =   0.002%
          QE    PHE   59 - HN    GLU-  15  18.71 +/- 2.08   0.193% *  0.3657% (0.61   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  15.22 +/- 3.61   0.511% *  0.1056% (0.18   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    GLU-  15  32.19 +/- 9.20   0.113% *  0.4378% (0.73   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  22.02 +/- 4.26   0.141% *  0.2043% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  24.13 +/- 5.62   0.131% *  0.1155% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  14.90 +/- 2.19   0.457% *  0.0278% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.24, residual support = 41.6:
          HN    ALA   61 - HN    PHE   60   2.72 +/- 0.23  90.617% * 94.9918% (0.47   5.24  41.63) =  99.973%  kept
          HN    ALA   61 - HN    THR  118  11.44 +/- 1.70   3.119% *  0.2048% (0.26   0.02   0.02) =   0.007%
          HN    ALA   61 - HN    GLU-  15  19.97 +/- 3.00   0.421% *  0.7767% (1.00   0.02   0.02) =   0.004%
          HN    TRP   27 - HN    GLU-  15  17.11 +/- 2.22   0.477% *  0.5936% (0.76   0.02   0.02) =   0.003%
          HN    ALA   91 - HN    PHE   60  15.45 +/- 1.54   0.587% *  0.3593% (0.46   0.02   0.02) =   0.002%
          HN    ALA   91 - HN    GLU-  15  30.23 +/- 6.45   0.246% *  0.7698% (0.99   0.02   0.02) =   0.002%
          HN    THR   39 - HN    GLU-  15  13.48 +/- 3.26   1.195% *  0.1537% (0.20   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    PHE   60  18.82 +/- 3.08   0.368% *  0.2770% (0.36   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    PHE   60  21.02 +/- 4.10   0.316% *  0.3144% (0.40   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    GLU-  15  32.98 +/- 8.38   0.093% *  0.6737% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    THR  118  22.71 +/- 5.18   0.376% *  0.1566% (0.20   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  20.16 +/- 1.15   0.241% *  0.2030% (0.26   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  23.65 +/- 4.38   0.191% *  0.1777% (0.23   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  18.66 +/- 2.44   0.416% *  0.0717% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  19.18 +/- 4.53   0.681% *  0.0405% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  19.04 +/- 2.78   0.326% *  0.0635% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  30.55 +/- 7.87   0.140% *  0.1360% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  22.76 +/- 3.51   0.191% *  0.0359% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.92, residual support = 72.5:
      O   HB3   PHE   60 - HN    PHE   60   2.49 +/- 0.47  87.339% * 98.9222% (0.47  10.0   4.92  72.53) =  99.991%  kept
          HB3   PHE   60 - HN    THR  118  10.46 +/- 1.53   2.198% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  12.99 +/- 3.66   2.021% *  0.0529% (0.25   1.0   0.02   3.06) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  20.42 +/- 3.63   0.488% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  11.58 +/- 3.69   3.020% *  0.0294% (0.14   1.0   0.02   1.62) =   0.001%
          QE    LYS+ 106 - HN    GLU-  15  24.31 +/- 4.17   0.374% *  0.2005% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  16.22 +/- 2.26   0.609% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  15.00 +/- 1.63   0.568% *  0.0936% (0.44   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    PHE   60  13.75 +/- 2.32   0.856% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  16.31 +/- 2.73   0.848% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  16.39 +/- 3.15   0.633% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  22.05 +/- 3.28   0.209% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  20.35 +/- 4.62   0.444% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  21.83 +/- 3.62   0.198% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  22.76 +/- 4.39   0.195% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.03, residual support = 20.0:
          HB3   PHE   59 - HN    PHE   60   2.64 +/- 0.49  92.472% * 96.9835% (0.39   4.03  19.98) =  99.971%  kept
          HB3   PHE   59 - HN    THR  118   7.67 +/- 0.95   6.078% *  0.2722% (0.22   0.02  12.65) =   0.018%
          HB3   PHE   59 - HN    GLU-  15  21.87 +/- 2.69   0.418% *  1.0321% (0.84   0.02   0.02) =   0.005%
          HB3   TRP   49 - HN    PHE   60  16.38 +/- 2.27   0.659% *  0.4618% (0.37   0.02   0.02) =   0.003%
          HB3   TRP   49 - HN    GLU-  15  30.95 +/- 6.53   0.136% *  0.9894% (0.80   0.02   0.02) =   0.001%
          HB3   TRP   49 - HN    THR  118  22.24 +/- 2.52   0.239% *  0.2610% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.01 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 = 5.09:
        T HN    SER  117 - HN    THR  118   2.74 +/- 0.20  95.212% * 97.7507% (0.17 10.00   2.73   5.09) =  99.930%  kept
        T HN    SER  117 - HN    PHE   60  10.02 +/- 1.28   3.598% *  1.7701% (0.30 10.00   0.02   0.02) =   0.068%
          HN    GLY   16 - HN    PHE   60  18.80 +/- 3.52   0.479% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    GLY   16 - HN    THR  118  21.36 +/- 3.30   0.301% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  20.84 +/- 2.31   0.268% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.92 +/- 2.87   0.141% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.131, support = 4.54, residual support = 43.1:
          QG2   THR  118 - HN    THR  118   3.50 +/- 0.19  89.766% * 84.3498% (0.13   4.63  44.00) =  97.928%  kept
          QG2   THR  118 - HN    PHE   60   7.54 +/- 1.03  10.234% * 15.6502% (0.23   0.47   0.02) =   2.072%  kept
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.161, support = 4.5, residual support = 61.8:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.09  21.740% * 79.0294% (0.22  10.0   4.92  72.53) =  64.932%  kept
      O   HB    THR  118 - HN    THR  118   2.16 +/- 0.15  46.991% * 18.7571% (0.05  10.0   3.76  44.00) =  33.311%  kept
          QB    SER  117 - HN    THR  118   2.68 +/- 0.42  28.290% *  1.6215% (0.03   1.0   3.12   5.09) =   1.734%  kept
          HB    THR  118 - HN    PHE   60   8.82 +/- 1.21   1.048% *  0.5295% (0.09   1.0   0.31   0.02) =   0.021%
          HA    PHE   60 - HN    THR  118   9.79 +/- 1.55   0.703% *  0.0436% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  10.48 +/- 1.64   1.229% *  0.0188% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 4.91, residual support = 45.1:
      O   HA    THR  118 - HN    THR  118   2.89 +/- 0.03  58.508% * 71.0125% (0.14  10.0   4.92  44.00) =  92.714%  kept
          HA    ILE  119 - HN    THR  118   4.91 +/- 0.14  12.078% * 22.7416% (0.17   1.0   5.46  69.70) =   6.129%  kept
          HD3   PRO   58 - HN    PHE   60   4.67 +/- 0.73  17.108% *  2.5340% (0.06   1.0   1.72   0.02) =   0.967%  kept
          HA    ILE  119 - HN    PHE   60   8.19 +/- 1.10   2.973% *  2.3831% (0.30   1.0   0.32   0.02) =   0.158%  kept
          HA    THR  118 - HN    PHE   60  10.92 +/- 1.15   1.376% *  0.7103% (0.26   1.0   0.11   0.02) =   0.022%
          HA2   GLY  109 - HN    THR  118  11.89 +/- 3.08   3.098% *  0.0417% (0.08   1.0   0.02   0.02) =   0.003%
          HA2   GLY  109 - HN    PHE   60  12.90 +/- 1.96   1.020% *  0.0754% (0.15   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    PHE   60  15.71 +/- 2.05   0.476% *  0.1405% (0.28   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    PHE   60  12.41 +/- 1.95   1.044% *  0.0632% (0.13   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  19.02 +/- 1.86   0.227% *  0.1089% (0.22   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  10.85 +/- 1.47   1.493% *  0.0163% (0.03   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    THR  118  21.56 +/- 2.70   0.181% *  0.0776% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  18.29 +/- 2.78   0.301% *  0.0349% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  23.62 +/- 2.27   0.116% *  0.0601% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.987, support = 4.0, residual support = 19.9:
      O   HA    PHE   59 - HN    PHE   60   3.57 +/- 0.12  48.598% * 98.9248% (0.99  10.0   4.01  19.98) =  99.723%  kept
          HA    ILE   56 - HN    PHE   60   5.20 +/- 1.10  20.325% *  0.5737% (0.15   1.0   0.75   4.08) =   0.242%  kept
          HA    PHE   59 - HN    THR  118   7.92 +/- 1.60  12.829% *  0.0797% (0.80   1.0   0.02  12.65) =   0.021%
          HA    ASP- 113 - HN    THR  118   7.12 +/- 0.81   7.092% *  0.0485% (0.48   1.0   0.02   0.02) =   0.007%
          HA    ASP- 113 - HN    PHE   60  11.01 +/- 1.75   2.838% *  0.0601% (0.60   1.0   0.02   0.02) =   0.004%
          HA    ILE   56 - HN    THR  118   9.65 +/- 1.44   2.713% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    PHE   60  21.13 +/- 3.50   0.437% *  0.0601% (0.60   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    THR  118  17.51 +/- 3.15   0.577% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  20.38 +/- 2.16   0.325% *  0.0393% (0.39   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  15.38 +/- 3.17   1.810% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.21 +/- 2.58   0.444% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  24.54 +/- 3.35   0.181% *  0.0485% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  20.18 +/- 3.33   0.387% *  0.0174% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  19.62 +/- 5.53   0.530% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  21.10 +/- 3.92   0.409% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  33.31 +/- 7.91   0.136% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.39 +/- 3.05   0.112% *  0.0239% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  25.20 +/- 3.45   0.258% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.919, support = 4.81, residual support = 68.3:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.09  42.502% * 94.2160% (0.96  10.0   4.92  72.53) =  93.710%  kept
          QB    SER  117 - HN    THR  118   2.68 +/- 0.42  48.865% *  5.4947% (0.36   1.0   3.12   5.09) =   6.283%  kept
          HA    PHE   60 - HN    THR  118   9.79 +/- 1.55   1.370% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    PHE   60  10.48 +/- 1.64   2.037% *  0.0438% (0.44   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    THR  118   7.45 +/- 0.45   2.433% *  0.0138% (0.14   1.0   0.02   7.19) =   0.001%
          HB    THR   94 - HN    PHE   60  10.85 +/- 1.23   0.837% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.24 +/- 0.99   0.432% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  18.92 +/- 3.06   0.246% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  13.99 +/- 1.05   0.354% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  14.08 +/- 1.50   0.347% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.31 +/- 2.64   0.192% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.28 +/- 2.68   0.093% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  22.00 +/- 3.09   0.109% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  25.03 +/- 4.91   0.130% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  30.70 +/- 4.58   0.053% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.536, support = 3.87, residual support = 36.3:
          HG12  ILE  119 - HN    THR  118   4.62 +/- 0.89  13.290% * 56.6953% (0.72   5.43  69.70) =  47.566%  kept
          QG    GLU-  15 - HN    GLU-  15   3.00 +/- 0.69  36.232% * 11.7918% (0.32   2.56  10.05) =  26.973%  kept
          QG    GLU-  14 - HN    GLU-  15   3.62 +/- 0.62  23.098% * 14.5004% (0.36   2.73   1.59) =  21.144%  kept
          HG12  ILE  119 - HN    PHE   60   6.63 +/- 1.27   4.307% *  7.0230% (0.89   0.54   0.02) =   1.909%  kept
          HB2   ASP-  44 - HN    PHE   60   6.81 +/- 1.41   5.050% *  5.3761% (0.89   0.41   3.04) =   1.714%  kept
          HB2   ASP- 105 - HN    THR  118   9.71 +/- 4.71   8.063% *  1.1826% (0.11   0.75   4.26) =   0.602%  kept
          HB3   PHE   72 - HN    THR  118  14.60 +/- 3.50   1.404% *  0.2249% (0.77   0.02   0.02) =   0.020%
          HB3   PHE   72 - HN    PHE   60  11.08 +/- 1.77   1.057% *  0.2790% (0.96   0.02   3.87) =   0.019%
          HB2   ASP-  44 - HN    THR  118  13.13 +/- 2.02   0.574% *  0.2090% (0.72   0.02   0.02) =   0.008%
          HB2   GLU-  29 - HN    GLU-  15  15.82 +/- 3.37   1.879% *  0.0605% (0.21   0.02   0.02) =   0.007%
          HG3   MET   92 - HN    PHE   60  12.73 +/- 2.30   0.725% *  0.1189% (0.41   0.02   0.02) =   0.005%
          QG    GLU-  15 - HN    PHE   60  19.19 +/- 3.60   0.340% *  0.2315% (0.79   0.02   0.02) =   0.005%
          QG    GLN   90 - HN    PHE   60  16.91 +/- 1.27   0.230% *  0.2866% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    PHE   60  19.84 +/- 3.01   0.191% *  0.2669% (0.91   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    GLU-  15  13.83 +/- 3.55   0.451% *  0.1110% (0.38   0.02   0.02) =   0.003%
          QB    MET   11 - HN    GLU-  15  10.48 +/- 0.85   0.944% *  0.0392% (0.13   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    THR  118  22.69 +/- 3.07   0.163% *  0.2151% (0.74   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    THR  118  21.25 +/- 3.28   0.151% *  0.1866% (0.64   0.02   0.02) =   0.002%
          HG3   MET   92 - HN    THR  118  16.12 +/- 1.90   0.276% *  0.0958% (0.33   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    THR  118  21.22 +/- 1.13   0.103% *  0.2310% (0.79   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    GLU-  15  19.60 +/- 4.25   0.205% *  0.1031% (0.35   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    PHE   60  21.71 +/- 3.37   0.115% *  0.1521% (0.52   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    PHE   60  13.79 +/- 2.24   0.440% *  0.0391% (0.13   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  21.30 +/- 3.09   0.164% *  0.1031% (0.35   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR  118  24.72 +/- 4.95   0.108% *  0.1226% (0.42   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   60  25.51 +/- 4.42   0.091% *  0.0986% (0.34   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  29.43 +/- 6.24   0.072% *  0.1140% (0.39   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  15  29.02 +/- 6.59   0.142% *  0.0473% (0.16   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  28.29 +/- 4.23   0.065% *  0.0795% (0.27   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  24.28 +/- 3.08   0.070% *  0.0156% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.161, support = 1.71, residual support = 8.42:
      O   QB    GLU-  15 - HN    GLU-  15   3.05 +/- 0.39  42.104% * 44.2188% (0.06  10.0   1.89  10.05) =  83.606%  kept
          QB    GLU- 114 - HN    THR  118   5.63 +/- 1.04  10.920% * 15.6162% (0.48   1.0   0.84   0.12) =   7.658%  kept
          HG3   PRO   58 - HN    PHE   60   6.42 +/- 0.52   5.345% * 30.6597% (0.89   1.0   0.90   0.02) =   7.359%  kept
          HB2   LEU  115 - HN    THR  118   5.51 +/- 0.51   8.184% *  2.4856% (0.69   1.0   0.09   0.11) =   0.913%  kept
          HB2   LEU  115 - HN    PHE   60   6.67 +/- 1.14   6.471% *  0.6625% (0.86   1.0   0.02   0.02) =   0.193%  kept
          HG3   PRO   58 - HN    THR  118  11.68 +/- 2.37   2.839% *  0.5520% (0.72   1.0   0.02   0.02) =   0.070%
          QB    GLU- 114 - HN    PHE   60  10.06 +/- 1.60   2.529% *  0.4633% (0.60   1.0   0.02   0.02) =   0.053%
          HB2   LEU   67 - HN    PHE   60  10.74 +/- 2.08   1.593% *  0.3718% (0.48   1.0   0.02   0.02) =   0.027%
          HB2   GLN   17 - HN    GLU-  15   5.92 +/- 1.19   9.276% *  0.0469% (0.06   1.0   0.02   0.02) =   0.020%
          HG2   PRO   68 - HN    PHE   60  14.08 +/- 2.34   0.564% *  0.5837% (0.76   1.0   0.02   0.02) =   0.015%
          HB    ILE   19 - HN    GLU-  15  10.46 +/- 1.65   1.411% *  0.2087% (0.27   1.0   0.02   0.02) =   0.013%
          HG2   PRO   68 - HN    GLU-  15  14.12 +/- 5.42   1.016% *  0.2321% (0.30   1.0   0.02   0.02) =   0.011%
          HG2   PRO   68 - HN    THR  118  16.99 +/- 4.54   0.469% *  0.4704% (0.61   1.0   0.02   0.02) =   0.010%
          HB    ILE   19 - HN    PHE   60  15.90 +/- 1.82   0.353% *  0.5247% (0.68   1.0   0.02   0.02) =   0.008%
          HB    VAL   18 - HN    GLU-  15  10.08 +/- 1.58   2.232% *  0.0757% (0.10   1.0   0.02   0.02) =   0.008%
          HB2   LEU   67 - HN    GLU-  15  13.13 +/- 4.14   0.943% *  0.1479% (0.19   1.0   0.02   0.02) =   0.006%
          HB2   LEU   67 - HN    THR  118  15.10 +/- 2.64   0.460% *  0.2996% (0.39   1.0   0.02   0.02) =   0.006%
          HB    VAL   18 - HN    PHE   60  14.19 +/- 4.53   0.694% *  0.1905% (0.25   1.0   0.02   0.20) =   0.006%
          HB    ILE   19 - HN    THR  118  19.50 +/- 3.12   0.241% *  0.4228% (0.55   1.0   0.02   0.02) =   0.005%
          HB3   GLU-  25 - HN    THR  118  26.71 +/- 6.32   0.307% *  0.1711% (0.22   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    PHE   60  18.47 +/- 3.22   0.383% *  0.1178% (0.15   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    PHE   60  17.17 +/- 3.17   0.354% *  0.1178% (0.15   1.0   0.02   0.02) =   0.002%
          HB    VAL   18 - HN    THR  118  18.56 +/- 3.38   0.268% *  0.1535% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    PHE   60  22.92 +/- 3.63   0.139% *  0.2124% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLU-  15  24.42 +/- 2.98   0.104% *  0.2724% (0.35   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLU-  15  20.75 +/- 3.39   0.286% *  0.0845% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    GLU-  15  24.46 +/- 2.90   0.091% *  0.2635% (0.34   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  20.59 +/- 2.75   0.180% *  0.0950% (0.12   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  24.79 +/- 2.04   0.085% *  0.1842% (0.24   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  20.93 +/- 3.04   0.158% *  0.0950% (0.12   1.0   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.11, support = 2.05, residual support = 3.89:
          QG1   ILE   56 - HN    PHE   60   3.87 +/- 1.14  40.743% * 44.8394% (0.09   2.16   4.08) =  95.113%  kept
          HG3   PRO   93 - HN    PHE   60   8.65 +/- 2.34   7.291% *  1.6060% (0.36   0.02   0.02) =   0.610%  kept
          QD    LYS+ 102 - HN    GLU-  15  22.44 +/- 5.46   3.044% *  2.5492% (0.57   0.02   0.02) =   0.404%  kept
          HB2   LEU   73 - HN    PHE   60  12.56 +/- 3.59   3.693% *  2.0280% (0.45   0.02   1.96) =   0.390%  kept
          HG3   PRO   93 - HN    GLU-  15  26.08 +/- 5.93   2.039% *  3.4410% (0.76   0.02   0.02) =   0.365%  kept
          HB3   MET   92 - HN    PHE   60  11.67 +/- 2.08   2.787% *  2.1014% (0.47   0.02   0.02) =   0.305%  kept
          HB2   LEU   73 - HN    GLU-  15  16.16 +/- 4.47   1.199% *  4.3453% (0.97   0.02   0.02) =   0.271%  kept
          HB2   LEU  123 - HN    THR  118   8.97 +/- 0.91   5.311% *  0.9509% (0.21   0.02   0.02) =   0.263%  kept
          HB3   MET   92 - HN    GLU-  15  28.06 +/- 6.12   1.109% *  4.5026% (1.00   0.02   0.02) =   0.260%  kept
          QD    LYS+ 106 - HN    GLU-  15  23.83 +/- 4.08   1.221% *  3.7609% (0.84   0.02   0.02) =   0.239%  kept
          HD2   LYS+ 111 - HN    PHE   60  14.74 +/- 2.16   1.666% *  2.0598% (0.46   0.02   0.02) =   0.179%  kept
          HB2   LEU  123 - HN    PHE   60  12.40 +/- 1.73   1.898% *  1.6827% (0.37   0.02   0.02) =   0.166%  kept
          QD    LYS+ 106 - HN    THR  118  12.33 +/- 3.45   3.142% *  0.9919% (0.22   0.02   3.06) =   0.162%  kept
          QD    LYS+ 106 - HN    PHE   60  14.01 +/- 1.48   1.751% *  1.7552% (0.39   0.02   0.02) =   0.160%  kept
          QD    LYS+  99 - HN    GLU-  15  18.42 +/- 5.29   0.846% *  3.6054% (0.80   0.02   0.02) =   0.159%  kept
          HD2   LYS+ 111 - HN    THR  118  11.71 +/- 1.75   2.497% *  1.1640% (0.26   0.02   0.02) =   0.151%  kept
          QD    LYS+  38 - HN    GLU-  15  14.87 +/- 3.12   2.542% *  1.0024% (0.22   0.02   0.02) =   0.133%  kept
          QG1   ILE   56 - HN    THR  118   8.06 +/- 0.80   7.012% *  0.2350% (0.05   0.02   0.02) =   0.086%
          QD    LYS+  99 - HN    PHE   60  17.74 +/- 2.49   0.955% *  1.6827% (0.37   0.02   0.02) =   0.084%
          HB2   LEU  123 - HN    GLU-  15  21.24 +/- 3.98   0.413% *  3.6054% (0.80   0.02   0.02) =   0.078%
          HG3   PRO   93 - HN    THR  118  13.45 +/- 1.56   1.462% *  0.9075% (0.20   0.02   0.02) =   0.069%
          HB3   MET   92 - HN    THR  118  15.21 +/- 1.68   1.065% *  1.1875% (0.26   0.02   0.02) =   0.066%
          HB2   LEU   73 - HN    THR  118  17.72 +/- 4.41   0.981% *  1.1460% (0.25   0.02   0.02) =   0.059%
          QD    LYS+  99 - HN    THR  118  16.00 +/- 3.11   1.086% *  0.9509% (0.21   0.02   0.02) =   0.054%
          HD2   LYS+ 111 - HN    GLU-  15  31.89 +/- 3.93   0.191% *  4.4135% (0.98   0.02   0.02) =   0.044%
          QD    LYS+ 102 - HN    PHE   60  20.69 +/- 2.50   0.577% *  1.1897% (0.26   0.02   0.02) =   0.036%
          QG1   ILE   56 - HN    GLU-  15  21.55 +/- 2.91   0.693% *  0.8911% (0.20   0.02   0.02) =   0.032%
          QD    LYS+  38 - HN    PHE   60  18.88 +/- 3.47   1.096% *  0.4678% (0.10   0.02   0.02) =   0.027%
          QD    LYS+ 102 - HN    THR  118  18.55 +/- 3.34   0.665% *  0.6723% (0.15   0.02   0.02) =   0.023%
          QD    LYS+  38 - HN    THR  118  18.89 +/- 4.77   1.025% *  0.2644% (0.06   0.02   0.02) =   0.014%
    Distance limit 4.37 A violated in 0 structures by 0.20 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.246, support = 2.64, residual support = 40.9:
          QB    ALA   61 - HN    PHE   60   4.23 +/- 0.25  34.781% * 72.7449% (0.25   2.69  41.63) =  98.083%  kept
          HG12  ILE   19 - HN    GLU-  15   9.28 +/- 1.82   4.858% *  1.8423% (0.84   0.02   0.02) =   0.347%  kept
          QB    ALA   12 - HN    GLU-  15   7.24 +/- 0.98   8.717% *  0.8278% (0.38   0.02   0.02) =   0.280%  kept
          HD3   LYS+ 121 - HN    THR  118   6.90 +/- 1.55  12.560% *  0.5370% (0.24   0.02   7.19) =   0.261%  kept
          QB    ALA  110 - HN    PHE   60  10.19 +/- 2.17   4.425% *  0.7867% (0.36   0.02   0.02) =   0.135%  kept
          HB3   LYS+  74 - HN    GLU-  15  16.60 +/- 4.56   0.966% *  1.9780% (0.90   0.02   0.02) =   0.074%
          HG    LEU   80 - HN    GLU-  15  25.98 +/- 7.86   1.176% *  1.6016% (0.73   0.02   0.02) =   0.073%
          HB3   LEU   67 - HN    GLU-  15  13.45 +/- 4.31   2.245% *  0.8278% (0.38   0.02   0.02) =   0.072%
          QB    LEU   98 - HN    GLU-  15  18.89 +/- 4.41   1.237% *  1.4268% (0.65   0.02   0.02) =   0.068%
          HB3   LYS+  74 - HN    PHE   60  12.68 +/- 2.07   1.646% *  0.9232% (0.42   0.02   0.02) =   0.059%
          QB    ALA  110 - HN    THR  118  10.15 +/- 1.19   3.178% *  0.4445% (0.20   0.02   0.02) =   0.055%
          QB    ALA   61 - HN    THR  118  11.17 +/- 1.86   4.318% *  0.3060% (0.14   0.02   0.02) =   0.051%
          HB2   LEU   80 - HN    GLU-  15  26.16 +/- 6.96   0.573% *  2.1861% (0.99   0.02   0.02) =   0.049%
          QG    LYS+  66 - HN    GLU-  15  13.95 +/- 3.75   2.542% *  0.4910% (0.22   0.02   0.02) =   0.048%
          HB3   LEU   67 - HN    PHE   60  10.68 +/- 2.20   2.935% *  0.3863% (0.18   0.02   0.02) =   0.044%
          HD3   LYS+ 121 - HN    PHE   60  13.58 +/- 1.44   1.166% *  0.9502% (0.43   0.02   0.02) =   0.043%
          QB    ALA   61 - HN    GLU-  15  16.64 +/- 2.62   0.846% *  1.1604% (0.53   0.02   0.02) =   0.038%
          HG12  ILE   19 - HN    PHE   60  16.19 +/- 2.52   0.845% *  0.8598% (0.39   0.02   0.02) =   0.028%
          HD3   LYS+ 121 - HN    GLU-  15  22.12 +/- 3.81   0.356% *  2.0360% (0.92   0.02   0.02) =   0.028%
          QG    LYS+  66 - HN    PHE   60  10.43 +/- 1.19   2.803% *  0.2292% (0.10   0.02   0.02) =   0.025%
          QB    LEU   98 - HN    PHE   60  14.95 +/- 2.05   0.932% *  0.6659% (0.30   0.02   0.02) =   0.024%
          HB2   LEU   80 - HN    PHE   60  18.35 +/- 2.10   0.480% *  1.0203% (0.46   0.02   0.02) =   0.019%
          QB    LEU   98 - HN    THR  118  14.81 +/- 2.70   1.067% *  0.3763% (0.17   0.02   0.02) =   0.016%
          HG    LEU   80 - HN    PHE   60  18.84 +/- 3.19   0.525% *  0.7475% (0.34   0.02   0.02) =   0.015%
          QB    ALA  110 - HN    GLU-  15  25.26 +/- 2.58   0.187% *  1.6856% (0.76   0.02   0.02) =   0.012%
          HG12  ILE   19 - HN    THR  118  19.43 +/- 3.03   0.538% *  0.4859% (0.22   0.02   0.02) =   0.010%
          HB3   LYS+  74 - HN    THR  118  19.22 +/- 2.81   0.461% *  0.5217% (0.24   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    THR  118  15.12 +/- 3.17   1.074% *  0.2183% (0.10   0.02   0.02) =   0.009%
          QG    LYS+  66 - HN    THR  118  15.05 +/- 2.73   1.470% *  0.1295% (0.06   0.02   0.02) =   0.007%
          HB2   LEU   80 - HN    THR  118  23.44 +/- 3.02   0.241% *  0.5765% (0.26   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    PHE   60  21.84 +/- 3.48   0.346% *  0.3863% (0.18   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    THR  118  23.86 +/- 3.93   0.261% *  0.4224% (0.19   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    THR  118  24.08 +/- 3.70   0.243% *  0.2183% (0.10   0.02   0.02) =   0.002%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.66, residual support = 24.9:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.07  78.797% * 97.8236% (0.89  10.0   3.66  24.97) =  99.914%  kept
          QG2   THR   77 - HN    LEU   80   6.02 +/- 0.99   4.000% *  1.4856% (0.20   1.0   1.37   0.61) =   0.077%
          QG2   THR   39 - HN    ALA   34   6.51 +/- 1.86  11.805% *  0.0303% (0.28   1.0   0.02   3.39) =   0.005%
          QG2   THR   23 - HN    LEU   80  15.05 +/- 6.95   1.560% *  0.0968% (0.89   1.0   0.02   0.61) =   0.002%
          HG3   LYS+  38 - HN    ALA   34   9.19 +/- 1.12   1.202% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.56 +/- 1.02   0.361% *  0.1081% (0.99   1.0   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    LEU   80  10.25 +/- 2.53   1.275% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.72 +/- 2.46   0.270% *  0.0709% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.91 +/- 2.74   0.190% *  0.0876% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.43 +/- 2.47   0.124% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  19.48 +/- 2.72   0.130% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.28 +/- 1.86   0.145% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  25.42 +/- 4.69   0.061% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.21 +/- 2.33   0.081% *  0.0303% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 3.52, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.72 +/- 0.03  72.182% * 75.3989% (0.56  10.0   3.47  24.97) =  95.608%  kept
          HA    LYS+  81 - HN    LEU   80   4.78 +/- 0.35  13.966% * 15.7278% (0.47   1.0   5.01  41.46) =   3.859%  kept
          HA    GLU-  36 - HN    ALA   34   7.00 +/- 0.15   4.280% *  4.3568% (0.41   1.0   1.59   0.30) =   0.328%  kept
          HA    ASN   28 - HN    ALA   34   7.67 +/- 0.32   3.305% *  3.4172% (0.76   1.0   0.67   0.02) =   0.198%  kept
          HA1   GLY  101 - HN    ALA   34  13.40 +/- 6.54   3.162% *  0.0500% (0.37   1.0   0.02   0.02) =   0.003%
          HA    ALA  124 - HN    ALA   34  23.22 +/- 6.11   0.741% *  0.1229% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ASN   28 - HN    LEU   80  18.03 +/- 4.97   0.514% *  0.0912% (0.68   1.0   0.02   0.60) =   0.001%
          HA    ARG+  54 - HN    LEU   80  18.16 +/- 2.44   0.291% *  0.1169% (0.88   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ALA   34  20.74 +/- 3.20   0.230% *  0.0967% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.04 +/- 2.52   0.193% *  0.0866% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  24.62 +/- 2.78   0.113% *  0.1305% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.60 +/- 3.26   0.186% *  0.0675% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.36 +/- 4.17   0.137% *  0.0701% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.71 +/- 4.18   0.182% *  0.0448% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.73 +/- 3.93   0.245% *  0.0297% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.05 +/- 2.84   0.055% *  0.1101% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  26.40 +/- 3.24   0.092% *  0.0490% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  24.29 +/- 3.07   0.126% *  0.0332% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.961, support = 7.1, residual support = 37.4:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.06  38.178% * 80.3267% (0.99  10.0   7.36  40.17) =  93.053%  kept
          HA    GLN   32 - HN    ALA   34   4.40 +/- 0.44  21.493% *  6.3181% (0.34   1.0   4.57   0.63) =   4.120%  kept
          HA    GLU-  29 - HN    ALA   34   6.50 +/- 0.75   7.240% * 10.5312% (0.99   1.0   2.62   0.56) =   2.314%  kept
          HB2   SER   82 - HN    LEU   80   6.87 +/- 1.14   7.992% *  1.9139% (0.85   1.0   0.56   0.44) =   0.464%  kept
          HB2   SER   37 - HN    ALA   34   5.83 +/- 1.25  13.642% *  0.0741% (0.17   1.0   0.10   0.53) =   0.031%
          HA    VAL   70 - HN    ALA   34  10.91 +/- 2.00   2.190% *  0.0649% (0.80   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HN    ALA   34  11.30 +/- 1.75   1.643% *  0.0794% (0.98   1.0   0.02   0.02) =   0.004%
          HA    SER   48 - HN    LEU   80  14.43 +/- 4.60   2.077% *  0.0440% (0.54   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  20.09 +/- 7.88   0.894% *  0.0712% (0.88   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    LEU   80  11.63 +/- 1.90   2.016% *  0.0272% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    ALA   34  24.07 +/- 6.37   0.331% *  0.0767% (0.94   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    LEU   80  21.79 +/- 4.98   0.284% *  0.0719% (0.89   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  20.21 +/- 2.34   0.257% *  0.0581% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  22.32 +/- 3.83   0.222% *  0.0649% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  24.19 +/- 3.27   0.150% *  0.0719% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  23.38 +/- 2.09   0.152% *  0.0581% (0.72   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  17.65 +/- 4.10   0.574% *  0.0144% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.83 +/- 2.29   0.111% *  0.0492% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.85 +/- 3.40   0.186% *  0.0248% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  28.31 +/- 5.10   0.111% *  0.0304% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.68 +/- 3.77   0.171% *  0.0127% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.15 +/- 2.54   0.085% *  0.0160% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.756, support = 5.57, residual support = 39.2:
          HG3   LYS+  33 - HN    ALA   34   3.04 +/- 0.58  63.000% * 81.8459% (0.76   5.69  40.17) =  97.459%  kept
          QB    ALA   84 - HN    LEU   80   5.57 +/- 0.65  12.525% * 10.0941% (0.54   0.99   0.02) =   2.390%  kept
          HB    VAL   42 - HN    ALA   34  11.61 +/- 1.46   1.637% *  2.2240% (0.83   0.14   0.02) =   0.069%
          HB3   LEU   73 - HN    ALA   34  10.95 +/- 2.48   2.422% *  0.3376% (0.89   0.02   0.02) =   0.015%
          HG    LEU   98 - HN    ALA   34  12.37 +/- 3.91   3.083% *  0.1832% (0.49   0.02   0.02) =   0.011%
          HB3   LEU   73 - HN    LEU   80  13.78 +/- 2.40   1.122% *  0.3024% (0.80   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HN    ALA   34  17.26 +/- 5.16   0.860% *  0.3475% (0.92   0.02   0.02) =   0.006%
          QB    LEU   98 - HN    ALA   34  11.46 +/- 3.75   3.907% *  0.0659% (0.17   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    LEU   80  17.33 +/- 3.65   0.837% *  0.2816% (0.75   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LEU   80  13.89 +/- 2.14   1.009% *  0.2181% (0.58   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   80  19.16 +/- 3.66   0.565% *  0.3364% (0.89   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    ALA   34  18.71 +/- 2.83   0.449% *  0.3756% (1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   80  16.85 +/- 2.63   0.590% *  0.2816% (0.75   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    ALA   34  15.28 +/- 2.92   1.020% *  0.1413% (0.37   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    ALA   34  18.05 +/- 3.24   0.391% *  0.3144% (0.83   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    LEU   80  12.46 +/- 2.29   1.277% *  0.0841% (0.22   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LEU   80  21.82 +/- 3.53   0.280% *  0.3254% (0.86   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ALA   34  19.62 +/- 4.88   0.545% *  0.1413% (0.37   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    ALA   34  21.07 +/- 3.82   0.307% *  0.2283% (0.61   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   80  18.27 +/- 3.02   0.418% *  0.1641% (0.44   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  15.64 +/- 2.94   1.028% *  0.0659% (0.17   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    LEU   80  22.43 +/- 4.02   0.248% *  0.2577% (0.68   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  20.87 +/- 2.94   0.239% *  0.2435% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   80  24.49 +/- 3.50   0.174% *  0.3113% (0.82   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   34  16.52 +/- 1.48   0.493% *  0.0939% (0.25   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  25.79 +/- 4.23   0.125% *  0.3633% (0.96   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  17.71 +/- 2.55   0.554% *  0.0591% (0.16   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   80  16.46 +/- 2.72   0.553% *  0.0591% (0.16   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  25.37 +/- 5.37   0.188% *  0.1265% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  25.97 +/- 2.46   0.154% *  0.1265% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.729, support = 5.31, residual support = 36.9:
          QB    LYS+  33 - HN    ALA   34   3.32 +/- 0.36  50.551% * 43.7516% (0.72   5.93  40.17) =  71.806%  kept
          QB    LYS+  81 - HN    LEU   80   5.24 +/- 0.65  15.671% * 34.9996% (0.78   4.43  41.46) =  17.808%  kept
          HB3   GLN   30 - HN    ALA   34   5.13 +/- 0.80  17.382% * 18.2776% (0.69   2.62   6.79) =  10.315%  kept
          HB3   LYS+  38 - HN    ALA   34   9.00 +/- 1.03   3.674% *  0.1764% (0.87   0.02   0.02) =   0.021%
          HB3   GLN   90 - HN    LEU   80  12.37 +/- 3.31   2.135% *  0.1458% (0.72   0.02   0.02) =   0.010%
          HB2   MET   92 - HN    LEU   80  13.35 +/- 3.46   2.522% *  0.0958% (0.47   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    LEU   80  16.83 +/- 3.10   0.930% *  0.1633% (0.80   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    LEU   80  18.12 +/- 4.81   0.686% *  0.1251% (0.61   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  17.07 +/- 2.90   0.829% *  0.0990% (0.49   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    LEU   80  22.91 +/- 4.53   0.902% *  0.0887% (0.44   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    LEU   80  21.76 +/- 3.59   0.632% *  0.1105% (0.54   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.98 +/- 1.80   0.368% *  0.1824% (0.89   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  18.98 +/- 2.97   0.356% *  0.1758% (0.86   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    ALA   34  16.96 +/- 3.78   0.550% *  0.1070% (0.52   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.97 +/- 2.60   0.380% *  0.1233% (0.61   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA   34  22.30 +/- 4.04   0.236% *  0.1764% (0.87   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    LEU   80  20.89 +/- 3.27   0.287% *  0.1323% (0.65   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  23.59 +/- 2.61   0.178% *  0.1962% (0.96   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    LEU   80  19.26 +/- 2.61   0.314% *  0.1031% (0.51   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  24.76 +/- 4.35   0.187% *  0.1580% (0.78   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LEU   80  20.72 +/- 3.34   0.281% *  0.0958% (0.47   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  22.51 +/- 3.97   0.336% *  0.0694% (0.34   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  28.36 +/- 3.79   0.112% *  0.1628% (0.80   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ALA   34  24.86 +/- 2.49   0.158% *  0.1070% (0.52   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  26.33 +/- 2.66   0.126% *  0.1151% (0.56   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  21.70 +/- 2.21   0.216% *  0.0621% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.54, support = 7.13, residual support = 77.5:
      O   HA    LEU   80 - HN    LEU   80   2.78 +/- 0.24  69.480% * 75.4432% (0.50  10.0   7.54  84.97) =  90.400%  kept
          HA    ASP-  78 - HN    LEU   80   4.45 +/- 0.95  23.167% * 23.9970% (0.94   1.0   3.35   6.91) =   9.588%  kept
          HA    THR   23 - HN    LEU   80  15.43 +/- 8.29   4.062% *  0.1286% (0.85   1.0   0.02   0.61) =   0.009%
          HB    THR   23 - HN    LEU   80  17.41 +/- 8.08   1.306% *  0.0538% (0.36   1.0   0.02   0.61) =   0.001%
          HA    THR   23 - HN    ALA   34  14.73 +/- 0.86   0.512% *  0.1063% (0.70   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ALA   34  14.59 +/- 1.22   0.551% *  0.0445% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.64 +/- 2.45   0.132% *  0.1183% (0.78   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  22.16 +/- 4.36   0.216% *  0.0624% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.95 +/- 3.61   0.312% *  0.0251% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.95 +/- 2.70   0.260% *  0.0208% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.755, support = 5.59, residual support = 49.1:
      O   HA    GLU-  79 - HN    LEU   80   3.54 +/- 0.18  67.828% * 96.4135% (0.76  10.0   5.62  49.39) =  99.415%  kept
          HB    THR   77 - HN    LEU   80   6.61 +/- 1.32  14.732% *  2.5383% (0.29   1.0   1.37   0.61) =   0.568%  kept
          HA    THR   39 - HN    ALA   34   8.79 +/- 1.62   5.950% *  0.0864% (0.68   1.0   0.02   3.39) =   0.008%
          HA    SER   85 - HN    LEU   80  10.72 +/- 0.76   2.675% *  0.0372% (0.29   1.0   0.02   0.02) =   0.002%
          HA1   GLY   51 - HN    LEU   80  19.03 +/- 3.65   0.692% *  0.1139% (0.89   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    LEU   80  17.82 +/- 2.54   0.654% *  0.1180% (0.93   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  14.94 +/- 3.78   1.382% *  0.0409% (0.32   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  12.53 +/- 1.44   1.811% *  0.0300% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  21.51 +/- 2.83   0.382% *  0.0976% (0.77   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU   80  23.33 +/- 2.93   0.292% *  0.1044% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.60 +/- 2.75   0.348% *  0.0797% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  20.51 +/- 2.97   0.450% *  0.0495% (0.39   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.44 +/- 1.32   0.737% *  0.0248% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.93 +/- 3.66   0.561% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.55 +/- 2.35   0.126% *  0.0942% (0.74   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.51 +/- 2.38   0.343% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  23.41 +/- 4.01   0.332% *  0.0277% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  26.11 +/- 3.24   0.272% *  0.0335% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  27.72 +/- 5.90   0.226% *  0.0307% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  32.02 +/- 6.10   0.207% *  0.0268% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.782, support = 5.46, residual support = 43.9:
          HB3   GLU-  79 - HN    LEU   80   3.33 +/- 0.71  59.313% * 58.5130% (0.79   5.94  49.39) =  88.841%  kept
          QB    GLU-  36 - HN    ALA   34   5.76 +/- 0.67  17.144% * 13.6336% (0.70   1.56   0.30) =   5.983%  kept
          HB3   GLU-  29 - HN    ALA   34   7.18 +/- 1.02   9.405% * 17.5677% (0.78   1.81   0.56) =   4.229%  kept
          HG3   GLU-  29 - HN    ALA   34   9.24 +/- 1.00   3.981% *  8.9655% (0.60   1.20   0.56) =   0.914%  kept
          HB2   GLN   90 - HN    LEU   80  12.10 +/- 3.08   3.225% *  0.2177% (0.87   0.02   0.02) =   0.018%
          HB2   LYS+  38 - HN    ALA   34   8.25 +/- 0.93   5.334% *  0.0602% (0.24   0.02   0.02) =   0.008%
          HB3   GLU-  29 - HN    LEU   80  22.31 +/- 5.52   0.318% *  0.2353% (0.94   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HN    LEU   80  22.20 +/- 5.77   0.347% *  0.1802% (0.72   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ALA   34  20.31 +/- 2.95   0.349% *  0.1628% (0.65   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.61 +/- 2.60   0.219% *  0.2115% (0.85   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  28.41 +/- 3.83   0.142% *  0.1800% (0.72   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   80  25.21 +/- 4.12   0.223% *  0.0728% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.49, residual support = 20.1:
        T HN    ASN   35 - HN    ALA   34   2.81 +/- 0.13  97.237% * 98.7794% (0.80 10.00   4.49  20.14) =  99.996%  kept
        T HN    ASN   35 - HN    LEU   80  22.81 +/- 3.12   0.231% *  0.8847% (0.72 10.00   0.02   0.02) =   0.002%
          HN    ALA   12 - HN    ALA   34  18.77 +/- 3.23   0.570% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    ALA   34  15.90 +/- 2.42   0.641% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  31.17 +/- 5.86   0.148% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.69 +/- 2.83   0.616% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  22.94 +/- 3.11   0.264% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.46 +/- 2.97   0.293% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.891, support = 5.32, residual support = 41.4:
          HN    LYS+  81 - HN    LEU   80   3.64 +/- 0.71  75.800% * 96.1467% (0.89   5.33  41.46) =  99.841%  kept
          HE3   TRP   27 - HN    LEU   80  15.58 +/- 5.08   3.723% *  2.3774% (0.20   0.59   3.03) =   0.121%  kept
          HE3   TRP   27 - HN    ALA   34   7.43 +/- 0.80  12.835% *  0.0899% (0.22   0.02   0.02) =   0.016%
          QD    PHE   60 - HN    LEU   80  13.46 +/- 1.65   1.982% *  0.2896% (0.72   0.02   0.02) =   0.008%
          QD    PHE   60 - HN    ALA   34  15.31 +/- 2.07   1.412% *  0.3233% (0.80   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    ALA   34  23.42 +/- 4.22   0.450% *  0.4029% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    ALA   34  16.31 +/- 2.88   1.421% *  0.1246% (0.31   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    LEU   80  18.21 +/- 3.34   1.358% *  0.1116% (0.28   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    LEU   80  19.78 +/- 2.80   0.724% *  0.0633% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    ALA   34  24.84 +/- 2.33   0.294% *  0.0707% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.761, support = 3.37, residual support = 5.88:
          HA    GLN   30 - HN    ALA   34   3.59 +/- 1.01  48.848% * 56.9852% (0.80   3.76   6.79) =  83.533%  kept
          HB3   SER   37 - HN    ALA   34   5.83 +/- 1.38  20.304% * 14.3220% (0.45   1.69   0.53) =   8.727%  kept
          HB    THR   39 - HN    ALA   34   7.60 +/- 2.03   8.191% * 17.2091% (0.61   1.50   3.39) =   4.230%  kept
          HB3   SER   82 - HN    LEU   80   6.61 +/- 0.93  13.211% *  8.7184% (0.82   0.56   0.44) =   3.456%  kept
          HA    ILE   89 - HN    LEU   80  11.03 +/- 1.98   2.711% *  0.1519% (0.40   0.02   0.02) =   0.012%
          QB    SER   13 - HN    ALA   34  14.35 +/- 2.69   1.404% *  0.2447% (0.65   0.02   0.02) =   0.010%
          HD3   PRO   52 - HN    LEU   80  18.86 +/- 4.25   0.800% *  0.2939% (0.78   0.02   0.02) =   0.007%
          QB    SER   13 - HN    LEU   80  25.77 +/- 5.38   0.672% *  0.2192% (0.58   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    ALA   34  23.84 +/- 6.37   0.401% *  0.3492% (0.92   0.02   0.02) =   0.004%
          HB2   CYS   53 - HN    LEU   80  15.83 +/- 2.96   1.028% *  0.1272% (0.34   0.02   0.02) =   0.004%
          HA    GLN   30 - HN    LEU   80  20.67 +/- 4.65   0.474% *  0.2713% (0.72   0.02   0.02) =   0.004%
          HB    THR   39 - HN    LEU   80  22.90 +/- 2.68   0.266% *  0.2055% (0.54   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    LEU   80  24.19 +/- 3.79   0.279% *  0.1519% (0.40   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    ALA   34  29.67 +/- 2.53   0.122% *  0.3282% (0.87   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ALA   34  24.35 +/- 2.34   0.228% *  0.1420% (0.37   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    ALA   34  26.61 +/- 4.41   0.188% *  0.1696% (0.45   0.02   0.02) =   0.001%
          HB    THR  118 - HN    ALA   34  19.38 +/- 3.81   0.535% *  0.0584% (0.15   0.02   0.02) =   0.001%
          HB    THR  118 - HN    LEU   80  22.01 +/- 2.43   0.336% *  0.0523% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.742, support = 3.08, residual support = 11.3:
          HA    LEU   31 - HN    ALA   34   3.50 +/- 0.54  61.403% * 84.8217% (0.76   3.21  11.84) =  94.999%  kept
          HA    THR   77 - HN    LEU   80   4.80 +/- 1.34  37.459% *  7.1692% (0.34   0.62   0.61) =   4.898%  kept
          HA    LEU   31 - HN    LEU   80  19.22 +/- 3.44   0.709% *  7.7493% (0.68   0.33   0.02) =   0.100%  kept
          HA    THR   77 - HN    ALA   34  20.19 +/- 2.45   0.429% *  0.2599% (0.37   0.02   0.02) =   0.002%
    Distance limit 3.62 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.397, support = 3.3, residual support = 6.91:
          HA    ASP-  78 - HN    LEU   80   4.45 +/- 0.95  57.083% * 89.6271% (0.40   3.35   6.91) =  98.122%  kept
          HA    VAL   41 - HN    ALA   34   8.87 +/- 2.12  11.672% *  7.3354% (0.17   0.63   8.25) =   1.642%  kept
          HA    PHE   45 - HN    LEU   80   9.77 +/- 1.90   7.335% *  0.8187% (0.61   0.02   0.02) =   0.115%  kept
          HA    THR   23 - HN    LEU   80  15.43 +/- 8.29  20.092% *  0.2359% (0.18   0.02   0.61) =   0.091%
          HA    PHE   45 - HN    ALA   34  18.57 +/- 1.78   0.774% *  0.9141% (0.69   0.02   0.02) =   0.014%
          HA    THR   23 - HN    ALA   34  14.73 +/- 0.86   1.468% *  0.2634% (0.20   0.02   0.02) =   0.007%
          HA    VAL   41 - HN    LEU   80  17.30 +/- 2.57   1.185% *  0.2087% (0.16   0.02   0.02) =   0.005%
          HA    ASP-  78 - HN    ALA   34  23.64 +/- 2.45   0.391% *  0.5966% (0.45   0.02   0.02) =   0.004%
    Distance limit 4.12 A violated in 2 structures by 0.34 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.723, support = 4.18, residual support = 16.7:
          HB2   ASP-  78 - HN    LEU   80   4.91 +/- 0.98  26.223% * 41.9625% (0.88   4.27   6.91) =  40.571%  kept
          QE    LYS+  33 - HN    ALA   34   4.61 +/- 0.71  30.317% * 30.1736% (0.52   5.12  40.17) =  33.728%  kept
          HB2   ASP-  76 - HN    LEU   80   4.95 +/- 1.08  28.874% * 23.7388% (0.75   2.84   1.32) =  25.272%  kept
          HB2   ASN   28 - HN    ALA   34   9.41 +/- 0.60   3.543% *  3.0474% (0.41   0.66   0.02) =   0.398%  kept
          HB2   ASN   69 - HN    ALA   34  14.42 +/- 2.64   1.167% *  0.1625% (0.72   0.02   0.02) =   0.007%
          HB2   ASN   69 - HN    LEU   80  23.23 +/- 4.03   0.708% *  0.1456% (0.65   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HN    LEU   80   9.71 +/- 1.20   3.795% *  0.0271% (0.12   0.02   0.02) =   0.004%
          HB2   ASP-  76 - HN    ALA   34  18.80 +/- 2.55   0.542% *  0.1870% (0.83   0.02   0.02) =   0.004%
          QE    LYS+  65 - HN    LEU   80  15.93 +/- 3.97   1.592% *  0.0557% (0.25   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    LEU   80  19.29 +/- 5.63   1.033% *  0.0824% (0.37   0.02   0.60) =   0.003%
          QE    LYS+  65 - HN    ALA   34  17.64 +/- 3.07   0.974% *  0.0622% (0.28   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  22.94 +/- 2.42   0.269% *  0.2194% (0.98   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    LEU   80  20.65 +/- 4.02   0.498% *  0.1055% (0.47   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ALA   34  25.06 +/- 7.17   0.467% *  0.0303% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.433, support = 5.71, residual support = 48.6:
          HB2   GLU-  79 - HN    LEU   80   2.97 +/- 0.46  78.452% * 86.8938% (0.44   5.80  49.39) =  98.288%  kept
          HG3   GLU-  36 - HN    ALA   34   6.60 +/- 1.11  13.275% *  8.6847% (0.34   0.74   0.30) =   1.662%  kept
          HG3   GLU-  25 - HN    LEU   80  20.07 +/- 6.98   1.791% *  0.6035% (0.88   0.02   0.02) =   0.016%
          HG2   PRO   52 - HN    LEU   80  18.05 +/- 4.65   1.352% *  0.5341% (0.78   0.02   0.02) =   0.010%
          HG3   GLU-  25 - HN    ALA   34  14.49 +/- 1.05   0.831% *  0.6738% (0.98   0.02   0.02) =   0.008%
          HG2   MET   92 - HN    LEU   80  13.76 +/- 3.11   2.134% *  0.2100% (0.30   0.02   0.02) =   0.006%
          QG    GLU- 114 - HN    LEU   80  19.55 +/- 3.57   0.542% *  0.2531% (0.37   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  20.49 +/- 2.82   0.364% *  0.3346% (0.49   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    ALA   34  21.07 +/- 2.77   0.253% *  0.2826% (0.41   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.52 +/- 3.71   0.267% *  0.2580% (0.37   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  28.36 +/- 2.76   0.115% *  0.5963% (0.87   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    LEU   80  21.45 +/- 2.22   0.278% *  0.2311% (0.34   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.18 +/- 3.25   0.175% *  0.2345% (0.34   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  26.66 +/- 3.17   0.169% *  0.2100% (0.30   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.739, support = 5.41, residual support = 42.5:
          HB3   GLU-  79 - HN    LEU   80   3.33 +/- 0.71  46.656% * 59.6455% (0.78   5.94  49.39) =  85.946%  kept
          QB    GLU-  36 - HN    ALA   34   5.76 +/- 0.67  12.881% * 16.1344% (0.80   1.56   0.30) =   6.419%  kept
          QB    GLN   32 - HN    ALA   34   4.69 +/- 0.22  20.575% *  7.3953% (0.17   3.27   0.63) =   4.699%  kept
          HB3   GLU-  29 - HN    ALA   34   7.18 +/- 1.02   7.186% * 11.3593% (0.49   1.81   0.56) =   2.521%  kept
          HG3   GLU-  29 - HN    ALA   34   9.24 +/- 1.00   2.983% *  2.7232% (0.17   1.20   0.56) =   0.251%  kept
          HB    VAL   24 - HN    LEU   80  14.25 +/- 7.13   2.737% *  1.6920% (0.20   0.66   3.21) =   0.143%  kept
          HG3   GLU- 100 - HN    ALA   34  12.63 +/- 5.87   2.353% *  0.1258% (0.49   0.02   0.02) =   0.009%
          HB2   GLN   90 - HN    LEU   80  12.10 +/- 3.08   2.431% *  0.0714% (0.28   0.02   0.02) =   0.005%
          HB3   GLU-  79 - HN    ALA   34  20.31 +/- 2.95   0.262% *  0.2241% (0.87   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    ALA   34  13.88 +/- 0.53   0.768% *  0.0575% (0.22   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    LEU   80  23.61 +/- 2.60   0.164% *  0.1853% (0.72   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LEU   80  22.31 +/- 5.52   0.238% *  0.1127% (0.44   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  25.04 +/- 3.45   0.148% *  0.1127% (0.44   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  22.20 +/- 5.77   0.257% *  0.0405% (0.16   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  20.72 +/- 3.62   0.254% *  0.0405% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  28.41 +/- 3.83   0.105% *  0.0798% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.69, support = 0.154, residual support = 0.296:
          QG1   VAL   75 - HN    LEU   80   6.93 +/- 1.27  72.926% * 68.7600% (0.68   0.16   0.31) =  94.791%  kept
          QG1   VAL   75 - HN    ALA   34  13.78 +/- 1.59  12.856% *  9.4960% (0.76   0.02   0.02) =   2.308%  kept
          QD1   LEU  115 - HN    LEU   80  16.20 +/- 1.62   8.025% * 10.2737% (0.82   0.02   0.02) =   1.559%  kept
          QD1   LEU  115 - HN    ALA   34  18.16 +/- 3.03   6.193% * 11.4703% (0.92   0.02   0.02) =   1.343%  kept
    Distance limit 4.70 A violated in 14 structures by 2.17 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 = 0.336, support = 6.41, residual support = 79.9:
          QD2   LEU   80 - HN    LEU   80   3.57 +/- 0.77  34.381% * 55.2774% (0.40   6.46  84.97) =  66.701%  kept
          QD1   LEU   80 - HN    LEU   80   3.90 +/- 0.79  27.002% * 28.1593% (0.18   7.45  84.97) =  26.686%  kept
          QG2   VAL   41 - HN    ALA   34   6.79 +/- 2.96  13.651% * 13.3267% (0.34   1.83   8.25) =   6.385%  kept
          QD1   LEU   73 - HN    ALA   34   8.27 +/- 2.46   6.744% *  0.3562% (0.83   0.02   0.02) =   0.084%
          QD1   LEU   63 - HN    ALA   34  12.75 +/- 3.13   3.332% *  0.3562% (0.83   0.02   0.02) =   0.042%
          QD2   LEU   63 - HN    ALA   34  12.77 +/- 2.92   2.558% *  0.3825% (0.89   0.02   0.02) =   0.034%
          QD1   LEU   73 - HN    LEU   80  11.81 +/- 2.40   1.514% *  0.3191% (0.75   0.02   0.02) =   0.017%
          QD2   LEU   98 - HN    ALA   34   9.95 +/- 3.86   4.366% *  0.0844% (0.20   0.02   0.02) =   0.013%
          QD1   LEU   63 - HN    LEU   80  15.30 +/- 3.11   0.651% *  0.3191% (0.75   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    LEU   80  15.56 +/- 3.09   0.583% *  0.3426% (0.80   0.02   0.02) =   0.007%
          QD2   LEU   80 - HN    ALA   34  17.05 +/- 4.57   0.729% *  0.1912% (0.45   0.02   0.02) =   0.005%
          QD1   LEU  104 - HN    ALA   34  12.75 +/- 3.28   1.292% *  0.1063% (0.25   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    LEU   80  14.24 +/- 2.54   0.834% *  0.1303% (0.30   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    ALA   34  18.29 +/- 2.90   0.382% *  0.2076% (0.49   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    LEU   80  17.53 +/- 1.65   0.350% *  0.1859% (0.44   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ALA   34  17.99 +/- 5.03   0.706% *  0.0844% (0.20   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    LEU   80  14.24 +/- 2.47   0.678% *  0.0756% (0.18   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  19.67 +/- 2.94   0.247% *  0.0952% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (0.82, 8.08, 121.56 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  18.24 +/- 4.54  22.697% * 31.5414% (1.00   0.02   0.02) =  43.664%  kept
          QD2   LEU  123 - HN    LEU   80  22.88 +/- 1.71  10.436% * 28.2508% (0.89   0.02   0.02) =  17.982%  kept
          HG3   LYS+ 121 - HN    ALA   34  19.67 +/- 5.17  18.678% * 14.1725% (0.45   0.02   0.02) =  16.146%  kept
          HB3   LEU  104 - HN    ALA   34  16.63 +/- 3.82  28.948% *  7.0378% (0.22   0.02   0.02) =  12.426%  kept
          HB3   LEU  104 - HN    LEU   80  23.53 +/- 3.25  13.124% *  6.3036% (0.20   0.02   0.02) =   5.046%  kept
          HG3   LYS+ 121 - HN    LEU   80  27.44 +/- 3.60   6.117% * 12.6939% (0.40   0.02   0.02) =   4.736%  kept
    Distance limit 4.51 A violated in 20 structures by 8.79 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.763, support = 5.44, residual support = 38.8:
          QB    LYS+  33 - HN    ALA   34   3.32 +/- 0.36  50.551% * 45.2335% (0.74   5.93  40.17) =  73.391%  kept
          QB    LYS+  81 - HN    LEU   80   5.24 +/- 0.65  15.671% * 43.1448% (0.94   4.43  41.46) =  21.701%  kept
          HB3   GLN   30 - HN    ALA   34   5.13 +/- 0.80  17.382% *  8.6816% (0.32   2.62   6.79) =   4.843%  kept
          HB3   GLN   90 - HN    LEU   80  12.37 +/- 3.31   2.135% *  0.1913% (0.93   0.02   0.02) =   0.013%
          HB3   LYS+  38 - HN    ALA   34   9.00 +/- 1.03   3.674% *  0.0979% (0.47   0.02   0.02) =   0.012%
          QB    LYS+ 106 - HN    LEU   80  16.83 +/- 3.10   0.930% *  0.1952% (0.95   0.02   0.02) =   0.006%
          HB2   MET   92 - HN    LEU   80  13.35 +/- 3.46   2.522% *  0.0543% (0.26   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    LEU   80  22.91 +/- 4.53   0.902% *  0.1492% (0.72   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    LEU   80  21.76 +/- 3.59   0.632% *  0.1693% (0.82   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    ALA   34  17.07 +/- 2.90   0.829% *  0.1233% (0.60   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  16.96 +/- 3.78   0.550% *  0.1292% (0.63   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.98 +/- 1.80   0.368% *  0.1614% (0.78   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LEU   80  18.12 +/- 4.81   0.686% *  0.0802% (0.39   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.97 +/- 2.60   0.380% *  0.1400% (0.68   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  18.98 +/- 2.97   0.356% *  0.1492% (0.72   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   80  20.89 +/- 3.27   0.287% *  0.1846% (0.89   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  19.26 +/- 2.61   0.314% *  0.1630% (0.79   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  20.72 +/- 3.34   0.281% *  0.1563% (0.76   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   34  22.30 +/- 4.04   0.236% *  0.1610% (0.78   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  24.76 +/- 4.35   0.187% *  0.1184% (0.57   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  23.59 +/- 2.61   0.178% *  0.1233% (0.60   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  28.36 +/- 3.79   0.112% *  0.1582% (0.77   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  26.33 +/- 2.66   0.126% *  0.1348% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ALA   34  22.51 +/- 3.97   0.336% *  0.0249% (0.12   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  24.86 +/- 2.49   0.158% *  0.0449% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  21.70 +/- 2.21   0.216% *  0.0301% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.247, support = 3.64, residual support = 24.7:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.07  86.355% * 81.4296% (0.24  10.0   3.66  24.97) =  98.913%  kept
          QG2   THR   77 - HN    LEU   80   6.02 +/- 0.99   4.364% * 17.4519% (0.76   1.0   1.37   0.61) =   1.071%  kept
          QB    ALA   88 - HN    LEU   80  11.10 +/- 2.08   4.405% *  0.1312% (0.39   1.0   0.02   0.02) =   0.008%
          QG2   THR   23 - HN    LEU   80  15.05 +/- 6.95   1.693% *  0.2064% (0.61   1.0   0.02   0.61) =   0.005%
          HG2   LYS+  38 - HN    ALA   34   8.12 +/- 1.12   1.847% *  0.0407% (0.12   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.56 +/- 1.02   0.402% *  0.1707% (0.51   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   34  17.28 +/- 1.86   0.159% *  0.2113% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.91 +/- 2.74   0.207% *  0.0985% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.72 +/- 2.46   0.294% *  0.0559% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  24.34 +/- 4.42   0.071% *  0.1085% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.43 +/- 2.47   0.136% *  0.0462% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  24.92 +/- 4.47   0.068% *  0.0492% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.439, support = 6.13, residual support = 84.9:
      O   HB2   LEU   80 - HN    LEU   80   3.04 +/- 0.62  47.726% * 49.7376% (0.26  10.0   5.84  84.97) =  64.241%  kept
          HG    LEU   80 - HN    LEU   80   4.18 +/- 0.80  27.613% * 47.7556% (0.76   1.0   6.67  84.97) =  35.688%  kept
          QG    LYS+  66 - HN    LEU   80  18.04 +/- 4.19   3.045% *  0.1726% (0.91   1.0   0.02   0.02) =   0.014%
          HG    LEU   73 - HN    ALA   34  10.12 +/- 2.93   2.886% *  0.1235% (0.65   1.0   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    ALA   34   9.05 +/- 1.96   3.487% *  0.1016% (0.54   1.0   0.02   0.02) =   0.010%
          QB    ALA   61 - HN    ALA   34  15.61 +/- 3.17   1.439% *  0.1399% (0.74   1.0   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    LEU   80  14.35 +/- 2.86   0.932% *  0.1494% (0.79   1.0   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    LEU   80  18.36 +/- 2.97   0.733% *  0.1785% (0.94   1.0   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    LEU   80  13.85 +/- 1.96   0.715% *  0.1692% (0.89   1.0   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    LEU   80  18.44 +/- 3.76   2.106% *  0.0446% (0.24   1.0   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ALA   34  13.98 +/- 2.23   0.599% *  0.1476% (0.78   1.0   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   80  19.96 +/- 6.63   0.717% *  0.1229% (0.65   1.0   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    LEU   80  16.76 +/- 4.38   0.610% *  0.1367% (0.72   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ALA   34  16.53 +/- 5.30   0.692% *  0.1074% (0.57   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ALA   34  10.49 +/- 1.67   1.462% *  0.0505% (0.27   1.0   0.02   0.50) =   0.002%
          QG    LYS+  66 - HN    ALA   34  16.54 +/- 3.48   0.425% *  0.1427% (0.75   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ALA   34  20.96 +/- 5.34   0.392% *  0.1184% (0.63   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  11.78 +/- 2.22   1.514% *  0.0276% (0.15   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  13.96 +/- 2.26   0.612% *  0.0369% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ALA   34  14.03 +/- 2.34   0.735% *  0.0228% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  24.47 +/- 3.46   0.113% *  0.1299% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  22.45 +/- 2.05   0.130% *  0.1130% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  20.96 +/- 4.72   0.310% *  0.0411% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  20.06 +/- 3.02   0.201% *  0.0610% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  20.26 +/- 2.37   0.194% *  0.0610% (0.32   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  20.83 +/- 3.62   0.225% *  0.0505% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  19.45 +/- 5.14   0.296% *  0.0259% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  26.85 +/- 3.56   0.093% *  0.0313% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.575, support = 3.0, residual support = 10.8:
          HG    LEU   31 - HN    ALA   34   5.78 +/- 0.37  19.260% * 72.5169% (0.51   3.84  11.84) =  72.993%  kept
          QG1   VAL   41 - HN    ALA   34   6.33 +/- 2.73  22.784% * 21.8711% (0.78   0.75   8.25) =  26.043%  kept
          QG2   THR   46 - HN    LEU   80  10.10 +/- 2.16   6.084% *  0.4288% (0.57   0.02   0.02) =   0.136%  kept
          QG1   VAL   43 - HN    LEU   80  10.77 +/- 1.90   3.748% *  0.6526% (0.87   0.02   0.02) =   0.128%  kept
          QD2   LEU   73 - HN    ALA   34   8.25 +/- 1.99   8.246% *  0.2845% (0.38   0.02   0.02) =   0.123%  kept
          QD1   ILE   19 - HN    ALA   34   6.95 +/- 1.75  14.388% *  0.1625% (0.22   0.02   0.02) =   0.122%  kept
          QG1   VAL   43 - HN    ALA   34  10.81 +/- 2.32   3.434% *  0.5396% (0.72   0.02   0.02) =   0.097%
          QG2   VAL   18 - HN    ALA   34  11.41 +/- 1.74   3.078% *  0.4245% (0.57   0.02   0.02) =   0.068%
          QG1   VAL   41 - HN    LEU   80  15.63 +/- 2.58   1.744% *  0.7054% (0.94   0.02   0.02) =   0.064%
          QD2   LEU   73 - HN    LEU   80  11.75 +/- 2.23   2.732% *  0.3441% (0.46   0.02   0.02) =   0.049%
          QG2   VAL   18 - HN    LEU   80  16.17 +/- 6.74   1.743% *  0.5134% (0.69   0.02   0.02) =   0.047%
          QD1   ILE   19 - HN    LEU   80  17.18 +/- 4.89   4.347% *  0.1966% (0.26   0.02   0.02) =   0.045%
          HG    LEU   31 - HN    LEU   80  18.06 +/- 4.59   1.191% *  0.4573% (0.61   0.02   0.02) =   0.028%
          QD2   LEU  104 - HN    ALA   34  11.93 +/- 3.20   3.856% *  0.1024% (0.14   0.02   0.02) =   0.021%
          QG2   THR   46 - HN    ALA   34  17.54 +/- 2.48   0.776% *  0.3545% (0.47   0.02   0.02) =   0.014%
          QD1   ILE   56 - HN    LEU   80  15.24 +/- 2.46   1.255% *  0.1763% (0.24   0.02   0.02) =   0.012%
          QD1   ILE   56 - HN    ALA   34  18.62 +/- 1.86   0.622% *  0.1458% (0.20   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    LEU   80  18.56 +/- 2.69   0.712% *  0.1238% (0.17   0.02   0.02) =   0.005%
    Distance limit 4.57 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.44, residual support = 84.8:
          QD2   LEU   80 - HN    LEU   80   3.57 +/- 0.77  45.857% * 97.1349% (0.85   6.46  84.97) =  99.797%  kept
          QD1   LEU   73 - HN    ALA   34   8.27 +/- 2.46  10.844% *  0.2719% (0.77   0.02   0.02) =   0.066%
          QG1   VAL   83 - HN    LEU   80   5.00 +/- 1.18  25.637% *  0.0837% (0.24   0.02   0.14) =   0.048%
          QD1   LEU   63 - HN    ALA   34  12.75 +/- 3.13   4.015% *  0.2719% (0.77   0.02   0.02) =   0.024%
          QD1   LEU   73 - HN    LEU   80  11.81 +/- 2.40   2.692% *  0.3289% (0.93   0.02   0.02) =   0.020%
          QD2   LEU   80 - HN    ALA   34  17.05 +/- 4.57   1.595% *  0.2488% (0.70   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    ALA   34  12.77 +/- 2.92   3.027% *  0.1244% (0.35   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   80  15.30 +/- 3.11   0.954% *  0.3289% (0.93   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    ALA   34  12.75 +/- 3.28   1.613% *  0.1906% (0.54   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    LEU   80  17.53 +/- 1.65   0.477% *  0.3098% (0.87   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  18.29 +/- 2.90   0.556% *  0.2561% (0.72   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    LEU   80  15.56 +/- 3.09   0.829% *  0.1504% (0.42   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   34  18.50 +/- 5.31   1.563% *  0.0692% (0.20   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   80  19.67 +/- 2.94   0.340% *  0.2305% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.10 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 = 0.157, residual support = 0.302:
          QG1   VAL   75 - HN    LEU   80   6.93 +/- 1.27  72.926% * 80.2852% (0.46   0.16   0.31) =  96.883%  kept
          QG1   VAL   75 - HN    ALA   34  13.78 +/- 1.59  12.856% *  8.2110% (0.38   0.02   0.02) =   1.747%  kept
          QD1   LEU  115 - HN    LEU   80  16.20 +/- 1.62   8.025% *  6.2972% (0.29   0.02   0.02) =   0.836%  kept
          QD1   LEU  115 - HN    ALA   34  18.16 +/- 3.03   6.193% *  5.2066% (0.24   0.02   0.02) =   0.534%  kept
    Distance limit 4.50 A violated in 14 structures by 2.36 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 = 3.5, residual support = 25.3:
      O   HA    ALA   34 - HN    ALA   34   2.72 +/- 0.03  70.595% * 83.8763% (0.63  10.0   3.47  24.97) =  97.483%  kept
          HA    LYS+  81 - HN    LEU   80   4.78 +/- 0.35  13.659% *  9.7996% (0.29   1.0   5.01  41.46) =   2.204%  kept
          HA    ASN   28 - HN    ALA   34   7.67 +/- 0.32   3.233% *  3.3269% (0.74   1.0   0.67   0.02) =   0.177%  kept
          HA    GLU-  36 - HN    ALA   34   7.00 +/- 0.15   4.186% *  1.8557% (0.17   1.0   1.59   0.30) =   0.128%  kept
          HA1   GLY  101 - HN    ALA   34  13.40 +/- 6.54   3.093% *  0.0635% (0.47   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    LEU   80  18.03 +/- 4.97   0.503% *  0.1198% (0.89   1.0   0.02   0.60) =   0.001%
          HA    ALA  124 - HN    ALA   34  23.22 +/- 6.11   0.725% *  0.0761% (0.57   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34   9.81 +/- 1.15   1.739% *  0.0183% (0.14   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  18.16 +/- 2.44   0.285% *  0.1058% (0.79   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.04 +/- 2.52   0.188% *  0.1169% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  20.74 +/- 3.20   0.224% *  0.0967% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  21.60 +/- 3.26   0.182% *  0.1014% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.71 +/- 4.18   0.178% *  0.0768% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.73 +/- 3.93   0.239% *  0.0568% (0.42   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  20.02 +/- 6.47   0.460% *  0.0222% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  24.62 +/- 2.78   0.110% *  0.0875% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  24.29 +/- 3.07   0.123% *  0.0470% (0.35   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.05 +/- 2.84   0.054% *  0.0920% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  24.36 +/- 4.17   0.133% *  0.0323% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  26.40 +/- 3.24   0.090% *  0.0282% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.582, support = 3.03, residual support = 11.1:
          HA    LEU   31 - HN    ALA   34   3.50 +/- 0.54  61.403% * 80.6086% (0.60   3.21  11.84) =  93.364%  kept
          HA    THR   77 - HN    LEU   80   4.80 +/- 1.34  37.459% *  9.2001% (0.36   0.62   0.61) =   6.501%  kept
          HA    LEU   31 - HN    LEU   80  19.22 +/- 3.44   0.709% *  9.9444% (0.72   0.33   0.02) =   0.133%  kept
          HA    THR   77 - HN    ALA   34  20.19 +/- 2.45   0.429% *  0.2469% (0.29   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.732, support = 4.3, residual support = 18.4:
          HB2   ASP-  78 - HN    LEU   80   4.91 +/- 0.98  26.223% * 43.6139% (0.93   4.27   6.91) =  42.393%  kept
          QE    LYS+  33 - HN    ALA   34   4.61 +/- 0.71  30.317% * 33.7352% (0.60   5.12  40.17) =  37.911%  kept
          HB2   ASP-  76 - HN    LEU   80   4.95 +/- 1.08  28.874% * 17.9163% (0.57   2.84   1.32) =  19.175%  kept
          HB2   ASN   28 - HN    ALA   34   9.41 +/- 0.60   3.543% *  3.6908% (0.51   0.66   0.02) =   0.485%  kept
          HB2   ASP-  86 - HN    LEU   80   9.71 +/- 1.20   3.795% *  0.0579% (0.26   0.02   0.02) =   0.008%
          QE    LYS+  65 - HN    LEU   80  15.93 +/- 3.97   1.592% *  0.1014% (0.46   0.02   0.02) =   0.006%
          HB2   ASN   28 - HN    LEU   80  19.29 +/- 5.63   1.033% *  0.1348% (0.61   0.02   0.60) =   0.005%
          HB2   ASN   69 - HN    ALA   34  14.42 +/- 2.64   1.167% *  0.0839% (0.38   0.02   0.02) =   0.004%
          QE    LYS+  65 - HN    ALA   34  17.64 +/- 3.07   0.974% *  0.0839% (0.38   0.02   0.02) =   0.003%
          QE    LYS+  33 - HN    LEU   80  20.65 +/- 4.02   0.498% *  0.1592% (0.72   0.02   0.02) =   0.003%
          HB2   ASN   69 - HN    LEU   80  23.23 +/- 4.03   0.708% *  0.1014% (0.46   0.02   0.02) =   0.003%
          HB2   ASP-  76 - HN    ALA   34  18.80 +/- 2.55   0.542% *  0.1045% (0.47   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HN    ALA   34  22.94 +/- 2.42   0.269% *  0.1689% (0.77   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ALA   34  25.06 +/- 7.17   0.467% *  0.0479% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.458, support = 5.73, residual support = 48.8:
          HB2   GLU-  79 - HN    LEU   80   2.97 +/- 0.46  78.452% * 89.4620% (0.46   5.80  49.39) =  98.718%  kept
          HG3   GLU-  36 - HN    ALA   34   6.60 +/- 1.11  13.275% *  6.6216% (0.27   0.74   0.30) =   1.236%  kept
          HG3   GLU-  25 - HN    LEU   80  20.07 +/- 6.98   1.791% *  0.6213% (0.93   0.02   0.02) =   0.016%
          HG2   PRO   52 - HN    LEU   80  18.05 +/- 4.65   1.352% *  0.5498% (0.82   0.02   0.02) =   0.010%
          HG2   MET   92 - HN    LEU   80  13.76 +/- 3.11   2.134% *  0.2162% (0.32   0.02   0.02) =   0.006%
          HG3   GLU-  25 - HN    ALA   34  14.49 +/- 1.05   0.831% *  0.5137% (0.77   0.02   0.02) =   0.006%
          QG    GLU- 114 - HN    LEU   80  19.55 +/- 3.57   0.542% *  0.2606% (0.39   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ALA   34  20.49 +/- 2.82   0.364% *  0.2551% (0.38   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    LEU   80  21.45 +/- 2.22   0.278% *  0.2379% (0.36   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  21.07 +/- 2.77   0.253% *  0.2155% (0.32   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  22.52 +/- 3.71   0.267% *  0.1967% (0.29   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  28.36 +/- 2.76   0.115% *  0.4546% (0.68   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  26.66 +/- 3.17   0.169% *  0.2162% (0.32   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.18 +/- 3.25   0.175% *  0.1788% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.763, support = 7.11, residual support = 37.7:
      O   HA    LYS+  33 - HN    ALA   34   3.56 +/- 0.06  38.178% * 81.0732% (0.78  10.0   7.36  40.17) =  93.744%  kept
          HA    GLN   32 - HN    ALA   34   4.40 +/- 0.44  21.493% *  5.1518% (0.22   1.0   4.57   0.63) =   3.354%  kept
          HA    GLU-  29 - HN    ALA   34   6.50 +/- 0.75   7.240% * 10.2578% (0.75   1.0   2.62   0.56) =   2.249%  kept
          HB2   SER   82 - HN    LEU   80   6.87 +/- 1.14   7.992% *  2.4511% (0.85   1.0   0.56   0.44) =   0.593%  kept
          HB2   SER   37 - HN    ALA   34   5.83 +/- 1.25  13.642% *  0.0942% (0.17   1.0   0.10   0.53) =   0.039%
          HA    VAL   70 - HN    ALA   34  10.91 +/- 2.00   2.190% *  0.0703% (0.68   1.0   0.02   0.02) =   0.005%
          HA    VAL   18 - HN    ALA   34  11.30 +/- 1.75   1.643% *  0.0767% (0.74   1.0   0.02   0.02) =   0.004%
          HA    SER   48 - HN    LEU   80  14.43 +/- 4.60   2.077% *  0.0516% (0.50   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    LEU   80  20.09 +/- 7.88   0.894% *  0.0928% (0.89   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    LEU   80  11.63 +/- 1.90   2.016% *  0.0303% (0.29   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    LEU   80  21.79 +/- 4.98   0.284% *  0.0946% (0.91   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  24.07 +/- 6.37   0.331% *  0.0727% (0.70   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  20.21 +/- 2.34   0.257% *  0.0851% (0.82   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  22.32 +/- 3.83   0.222% *  0.0703% (0.68   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  24.19 +/- 3.27   0.150% *  0.0981% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  23.38 +/- 2.09   0.152% *  0.0851% (0.82   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  17.65 +/- 4.10   0.574% *  0.0151% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  22.85 +/- 3.40   0.186% *  0.0273% (0.26   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.83 +/- 2.29   0.111% *  0.0427% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.68 +/- 3.77   0.171% *  0.0218% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  28.31 +/- 5.10   0.111% *  0.0250% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.15 +/- 2.54   0.085% *  0.0125% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.28, support = 1.84, residual support = 5.23:
          HN    GLN   30 - HN    ALA   34   5.47 +/- 0.70  53.371% * 47.9093% (0.17  1.00   2.27   6.79) =  75.018%  kept
          HN    GLU-  29 - HN    ALA   34   7.59 +/- 0.69  19.950% * 41.2438% (0.61  1.00   0.56   0.56) =  24.140%  kept
          HN    VAL   18 - HN    ALA   34  13.04 +/- 2.28   5.170% *  1.7494% (0.72  1.00   0.02   0.02) =   0.265%  kept
          HN    ASP-  86 - HN    LEU   80   9.09 +/- 0.85  13.550% *  0.4804% (0.20  1.00   0.02   0.02) =   0.191%  kept
        T HN    ASP-  86 - HN    ALA   34  25.75 +/- 6.36   1.135% *  5.3636% (0.22 10.00   0.02   0.02) =   0.179%  kept
          HN    GLU-  29 - HN    LEU   80  19.76 +/- 5.47   2.567% *  1.3088% (0.54  1.00   0.02   0.02) =   0.099%
          HN    VAL   18 - HN    LEU   80  21.36 +/- 7.76   1.758% *  1.5669% (0.65  1.00   0.02   0.02) =   0.081%
          HN    GLN   30 - HN    LEU   80  19.29 +/- 5.09   2.500% *  0.3779% (0.16  1.00   0.02   0.02) =   0.028%
    Distance limit 3.84 A violated in 11 structures by 1.45 A, kept.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.19, support = 1.8, residual support = 5.08:
          HN    GLN   30 - HN    ALA   34   5.47 +/- 0.70  53.371% * 44.2233% (0.11  1.00   2.27   6.79) =  72.635%  kept
          HN    GLU-  29 - HN    ALA   34   7.59 +/- 0.69  19.950% * 42.7341% (0.41  1.00   0.56   0.56) =  26.236%  kept
          HN    VAL   18 - HN    ALA   34  13.04 +/- 2.28   5.170% *  2.3043% (0.63  1.00   0.02   0.02) =   0.367%  kept
          HN    ASP-  86 - HN    LEU   80   9.09 +/- 0.85  13.550% *  0.6095% (0.17  1.00   0.02   0.02) =   0.254%  kept
        T HN    ASP-  86 - HN    ALA   34  25.75 +/- 6.36   1.135% *  5.0397% (0.14 10.00   0.02   0.02) =   0.176%  kept
          HN    VAL   18 - HN    LEU   80  21.36 +/- 7.76   1.758% *  2.7869% (0.76  1.00   0.02   0.02) =   0.151%  kept
          HN    GLU-  29 - HN    LEU   80  19.76 +/- 5.47   2.567% *  1.8311% (0.50  1.00   0.02   0.02) =   0.145%  kept
          HN    GLN   30 - HN    LEU   80  19.29 +/- 5.09   2.500% *  0.4710% (0.13  1.00   0.02   0.02) =   0.036%
    Distance limit 3.82 A violated in 11 structures by 1.47 A, kept.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.49, residual support = 20.1:
        T HN    ASN   35 - HN    ALA   34   2.81 +/- 0.13  97.237% * 98.3004% (0.54 10.00   4.49  20.14) =  99.995%  kept
        T HN    ASN   35 - HN    LEU   80  22.81 +/- 3.12   0.231% *  1.1889% (0.65 10.00   0.02   0.02) =   0.003%
          HN    ALA   12 - HN    ALA   34  18.77 +/- 3.23   0.570% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    PHE   97 - HN    LEU   80  17.69 +/- 2.83   0.616% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  15.90 +/- 2.42   0.641% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  31.17 +/- 5.86   0.148% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.46 +/- 2.97   0.293% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  22.94 +/- 3.11   0.264% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.937, support = 5.32, residual support = 41.4:
          HN    LYS+  81 - HN    LEU   80   3.64 +/- 0.71  76.579% * 97.0983% (0.94   5.33  41.46) =  99.886%  kept
          HE3   TRP   27 - HN    LEU   80  15.58 +/- 5.08   3.762% *  1.6751% (0.15   0.59   3.03) =   0.085%
          QD    PHE   60 - HN    LEU   80  13.46 +/- 1.65   2.002% *  0.3297% (0.85   0.02   0.02) =   0.009%
          HE3   TRP   27 - HN    ALA   34   7.43 +/- 0.80  12.968% *  0.0469% (0.12   0.02   0.02) =   0.008%
          QD    PHE   60 - HN    ALA   34  15.31 +/- 2.07   1.427% *  0.2726% (0.70   0.02   0.02) =   0.005%
          HN    LYS+  66 - HN    LEU   80  18.21 +/- 3.34   1.371% *  0.1511% (0.39   0.02   0.02) =   0.003%
          HN    LYS+  66 - HN    ALA   34  16.31 +/- 2.88   1.436% *  0.1250% (0.32   0.02   0.02) =   0.002%
          HN    LYS+  81 - HN    ALA   34  23.42 +/- 4.22   0.455% *  0.3013% (0.78   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 0 structures by 0.05 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        :    461
      with multiple volume contributions     :    511
      eliminated by violation filter         :     34
 
    Peaks:
      selected                               :   1103
      without assignment                     :     50
      with assignment                        :   1053
      with unique assignment                 :    568
      with multiple assignment               :    485
      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 = 0.768, support = 3.66, residual support = 46.6:
    * O T HG2   MET   11 - HA    MET   11   3.43 +/- 0.63  33.410% * 70.8328% (1.00  10.0 10.00   4.00  47.54) =  61.872%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.80 +/- 0.23  52.528% * 27.7351% (0.39  10.0 10.00   3.10  45.24) =  38.089%  kept
        T HB2   GLU-  14 - HA    MET   11  10.00 +/- 1.47   1.442% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.027%
        T HG2   MET   11 - HA    GLU-  14  10.07 +/- 1.36   1.339% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.010%
          HB2   PRO   68 - HA    GLU-  14  14.69 +/- 5.99  10.234% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   ARG+  54 - HA    MET   11  34.36 +/- 6.39   0.046% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  30.46 +/- 6.50   0.082% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.61 +/- 4.92   0.288% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  29.10 +/- 4.13   0.102% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.98 +/- 3.14   0.093% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.75 +/- 4.95   0.207% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  38.92 +/- 5.28   0.026% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  31.84 +/- 4.91   0.054% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  33.54 +/- 3.96   0.042% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  35.94 +/- 4.78   0.033% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.79 +/- 3.93   0.074% *  0.0038% (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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.773, support = 3.67, residual support = 46.7:
    * O T HG3   MET   11 - HA    MET   11   3.32 +/- 0.63  37.989% * 72.0852% (1.00  10.0 10.00   4.00  47.54) =  63.862%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.69 +/- 0.21  57.867% * 26.7596% (0.37  10.0 10.00   3.10  45.24) =  36.112%  kept
        T HB3   GLU-  14 - HA    MET   11  10.57 +/- 1.52   1.182% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   MET   11 - HA    GLU-  14  10.68 +/- 1.40   1.157% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.008%
          HB3   MET   96 - HA    GLU-  14  23.33 +/- 3.61   0.203% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.42 +/- 6.17   0.098% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.53 +/- 3.55   0.057% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.13 +/- 2.18   0.314% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  14.94 +/- 2.14   0.547% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.39 +/- 2.47   0.105% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  20.49 +/- 3.72   0.175% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  24.04 +/- 2.98   0.104% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.02 +/- 5.99   0.154% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.92 +/- 5.74   0.048% *  0.0200% (0.28   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 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.83, support = 3.8, residual support = 46.1:
    * O T HA    MET   11 - HG2   MET   11   3.43 +/- 0.63  26.089% * 79.8624% (1.00  10.0 10.00   4.00  47.54) =  78.817%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.80 +/- 0.23  39.788% * 12.2950% (0.15  10.0 10.00   3.10  45.24) =  18.505%  kept
          HA    ALA   12 - HG2   MET   11   4.78 +/- 0.79  11.220% *  6.1409% (0.53   1.0  1.00   2.92  11.85) =   2.606%  kept
          HA    ALA   12 - HB2   GLU-  14   6.89 +/- 1.48   4.138% *  0.2622% (0.20   1.0  1.00   0.33   0.02) =   0.041%
        T HA    GLU-  14 - HG2   MET   11  10.07 +/- 1.36   1.056% *  0.3283% (0.41   1.0 10.00   0.02   0.02) =   0.013%
        T HA    MET   11 - HB2   GLU-  14  10.00 +/- 1.47   1.091% *  0.2991% (0.37   1.0 10.00   0.02   0.02) =   0.012%
          HA1   GLY   51 - HB2   ARG+  54   5.58 +/- 0.85   9.375% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HG2   MET   11  32.78 +/- 6.82   0.212% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   GLU-  14  26.34 +/- 6.21   0.367% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  15.14 +/- 4.09   0.521% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.63 +/- 4.71   0.269% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.04 +/- 4.32   0.066% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  13.46 +/- 2.40   0.645% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  22.15 +/- 3.85   0.147% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.29 +/- 4.58   0.058% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  21.64 +/- 3.53   0.108% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  32.08 +/- 6.47   0.091% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.91 +/- 3.17   0.491% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   6.97 +/- 0.77   2.945% *  0.0012% (0.01   1.0  1.00   0.02   0.60) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  29.10 +/- 4.13   0.103% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.36 +/- 6.39   0.041% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  39.90 +/- 7.29   0.035% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  26.01 +/- 6.12   0.104% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  33.84 +/- 7.13   0.048% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  39.50 +/- 7.95   0.034% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.33 +/- 3.08   0.117% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  30.20 +/- 6.02   0.070% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  38.02 +/- 6.05   0.028% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  33.43 +/- 7.95   0.056% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  24.22 +/- 3.52   0.167% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.12 +/- 3.68   0.149% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.14 +/- 3.73   0.088% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  32.58 +/- 4.02   0.041% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  22.45 +/- 3.52   0.106% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.76 +/- 5.37   0.077% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  26.63 +/- 2.48   0.058% *  0.0038% (0.05   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 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.849, support = 3.27, residual support = 45.6:
    * O T QB    MET   11 - HG2   MET   11   2.35 +/- 0.13  43.363% * 66.1248% (1.00  10.0 10.00   3.31  47.54) =  80.540%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.40 +/- 0.14  40.497% * 14.0193% (0.21  10.0 10.00   3.29  45.24) =  15.947%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.43 +/- 0.91   6.906% * 17.9811% (0.27   1.0 10.00   2.29   1.59) =   3.488%  kept
        T QG    GLU-  14 - HG2   MET   11   9.41 +/- 1.50   0.937% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.010%
        T QB    MET   11 - HB2   GLU-  14   9.32 +/- 1.40   0.898% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HG2   MET   11  11.46 +/- 1.41   0.436% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   GLU-  36 - HB2   GLU-  14  14.19 +/- 4.17   0.399% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLU-  36 - HG2   MET   11  19.54 +/- 4.76   0.148% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   ARG+  54  25.82 +/- 4.68   0.253% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  12.65 +/- 3.84   3.282% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  15.08 +/- 3.37   0.250% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.08 +/- 1.66   0.246% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  26.16 +/- 3.70   0.064% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.08 +/- 5.58   0.035% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.25 +/- 2.56   0.065% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.77 +/- 4.43   0.050% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  20.91 +/- 3.67   0.115% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  35.62 +/- 6.70   0.062% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.78 +/- 2.79   0.720% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  12.90 +/- 1.76   0.341% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  36.73 +/- 6.90   0.046% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.09 +/- 6.33   0.115% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  31.39 +/- 6.02   0.043% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  30.20 +/- 5.95   0.066% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  14.72 +/- 2.23   0.214% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  31.44 +/- 3.46   0.021% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  25.03 +/- 6.04   0.073% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  31.78 +/- 4.44   0.022% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  29.32 +/- 5.47   0.036% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.19 +/- 2.34   0.099% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  25.91 +/- 3.17   0.039% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.87 +/- 3.17   0.065% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.73 +/- 3.21   0.094% *  0.0016% (0.02   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 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 46.9:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  47.948% * 72.5786% (1.00  10.0 10.00   4.00  47.54) =  73.837%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  47.949% * 25.7103% (0.35  10.0 10.00   3.00  45.24) =  26.156%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.18 +/- 1.96   0.269% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   MET   11 - HB2   GLU-  14  11.12 +/- 2.03   0.337% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   PRO   58 - HG2   MET   11  30.08 +/- 6.11   0.019% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  12.53 +/- 3.81   2.324% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  24.44 +/- 3.30   0.023% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.16 +/- 1.66   0.573% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  29.08 +/- 4.33   0.024% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  35.42 +/- 6.86   0.011% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.34 +/- 2.64   0.152% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  23.18 +/- 3.62   0.036% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.24 +/- 2.62   0.078% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  30.22 +/- 3.84   0.012% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.01 +/- 3.05   0.027% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  21.43 +/- 3.69   0.038% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.35 +/- 3.40   0.092% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.67 +/- 3.23   0.021% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  36.63 +/- 6.22   0.013% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  30.03 +/- 5.65   0.025% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  22.86 +/- 2.85   0.029% *  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 = 0.84, support = 3.82, residual support = 46.6:
    * O T HA    MET   11 - HG3   MET   11   3.32 +/- 0.63  33.183% * 80.7357% (1.00  10.0 10.00   4.00  47.54) =  80.624%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.69 +/- 0.21  50.238% * 11.7839% (0.15  10.0 10.00   3.10  45.24) =  17.816%  kept
          HA    ALA   12 - HG3   MET   11   5.36 +/- 0.83   8.243% *  6.1958% (0.53   1.0  1.00   2.92  11.85) =   1.537%  kept
        T HA    GLU-  14 - HG3   MET   11  10.68 +/- 1.40   1.006% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T HA    MET   11 - HB3   GLU-  14  10.57 +/- 1.52   1.027% *  0.2866% (0.36   1.0 10.00   0.02   0.02) =   0.009%
          HA    ALA   12 - HB3   GLU-  14   7.40 +/- 1.32   3.419% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HG3   MET   11  33.12 +/- 7.35   0.259% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  14  23.34 +/- 4.81   0.456% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.78 +/- 4.41   0.700% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.98 +/- 6.68   0.339% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.76 +/- 5.02   0.067% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  29.48 +/- 4.75   0.062% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  21.71 +/- 4.41   0.170% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  32.34 +/- 6.84   0.100% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  22.04 +/- 3.15   0.099% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  40.30 +/- 7.68   0.034% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  25.70 +/- 6.55   0.122% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  33.54 +/- 7.60   0.053% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  39.92 +/- 8.32   0.033% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  33.18 +/- 8.33   0.069% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  23.73 +/- 3.86   0.196% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  30.67 +/- 6.49   0.060% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  38.51 +/- 6.42   0.025% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  32.20 +/- 4.38   0.041% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.826, support = 3.26, residual support = 45.2:
    * O T QB    MET   11 - HG3   MET   11   2.44 +/- 0.13  41.105% * 67.3911% (1.00  10.0 10.00   3.31  47.54) =  77.984%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.33 +/- 0.15  46.558% * 13.5457% (0.20  10.0 10.00   3.29  45.24) =  17.754%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.04 +/- 1.10   8.668% * 17.3737% (0.26   1.0 10.00   2.15   1.59) =   4.240%  kept
        T QG    GLU-  14 - HG3   MET   11   9.83 +/- 1.56   0.847% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QB    MET   11 - HB3   GLU-  14   9.79 +/- 1.43   0.834% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HG3   MET   11  12.07 +/- 1.57   0.375% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   GLU-  36 - HB3   GLU-  14  14.17 +/- 4.00   0.421% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLU-  36 - HG3   MET   11  19.81 +/- 4.45   0.128% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   GLU-  14  14.62 +/- 4.05   0.319% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.66 +/- 2.86   0.061% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  28.18 +/- 4.81   0.043% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  20.44 +/- 4.27   0.116% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  35.98 +/- 7.08   0.046% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.64 +/- 6.71   0.100% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  37.22 +/- 7.17   0.031% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  31.65 +/- 6.44   0.044% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  24.72 +/- 6.56   0.081% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  29.90 +/- 6.24   0.049% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  32.26 +/- 5.01   0.022% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  29.83 +/- 5.90   0.036% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.57 +/- 3.31   0.043% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  22.44 +/- 3.53   0.074% *  0.0037% (0.05   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 46.9:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.197% * 71.8618% (1.00  10.0 10.00   4.00  47.54) =  73.837%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.198% * 25.4564% (0.35  10.0 10.00   3.00  45.24) =  26.156%  kept
        T HB2   GLU-  14 - HG3   MET   11  11.12 +/- 2.03   0.346% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   MET   11 - HB3   GLU-  14  11.18 +/- 1.96   0.276% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   58 - HG3   MET   11  31.53 +/- 6.90   0.020% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  15.06 +/- 6.05   0.640% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  39.95 +/- 5.82   0.006% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  21.35 +/- 5.71   0.170% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  35.42 +/- 6.86   0.011% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  29.08 +/- 4.33   0.025% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  24.89 +/- 3.52   0.024% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  33.00 +/- 5.73   0.014% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  25.42 +/- 5.38   0.039% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  33.32 +/- 4.05   0.009% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  37.17 +/- 5.43   0.007% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  29.36 +/- 3.98   0.016% *  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 = 0.89, support = 3.36, residual support = 46.2:
    * O T HA    MET   11 - QB    MET   11   2.34 +/- 0.15  38.523% * 74.8265% (1.00  10.0 10.00   3.36  47.54) =  86.934%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.54 +/- 0.52  34.683% *  9.9830% (0.13  10.0 10.00   3.62  45.24) =  10.442%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.34 +/- 0.77   7.226% *  7.4162% (0.10   1.0 10.00   2.14   1.59) =   1.616%  kept
          HA    ALA   12 - QB    MET   11   4.20 +/- 0.36   6.998% *  4.5696% (0.53   1.0  1.00   2.32  11.85) =   0.964%  kept
          HA    ALA   12 - QG    GLU-  14   6.32 +/- 1.34   3.219% *  0.2129% (0.17   1.0  1.00   0.33   0.02) =   0.021%
        T HA    GLU-  14 - QB    MET   11   8.84 +/- 0.89   0.805% *  0.3076% (0.41   1.0 10.00   0.02   0.02) =   0.007%
        T HA    MET   11 - QG    GLU-  14   9.04 +/- 1.17   0.849% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.006%
        T HA    MET   11 - QG    GLU-  15  11.10 +/- 1.35   0.423% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QG    GLU-  15  19.27 +/- 5.00   0.199% *  0.1800% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - QB    MET   11  28.35 +/- 5.86   0.073% *  0.4236% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QB    MET   11  25.76 +/- 3.63   0.041% *  0.7466% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  19.78 +/- 4.13   0.107% *  0.2423% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  15   8.35 +/- 1.25   1.174% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.29 +/- 6.23   0.460% *  0.0238% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  29.02 +/- 6.11   0.123% *  0.0733% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  11.62 +/- 5.05   0.961% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.86 +/- 3.66   0.388% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36   9.41 +/- 1.57   0.849% *  0.0045% (0.06   1.0  1.00   0.02   1.33) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.36 +/- 4.38   0.160% *  0.0224% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  19.24 +/- 3.23   0.086% *  0.0364% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.95 +/- 6.29   0.142% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.96 +/- 3.96   0.032% *  0.0691% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  20.94 +/- 4.31   0.645% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  20.08 +/- 4.51   0.102% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  35.34 +/- 6.47   0.022% *  0.0733% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  14.54 +/- 4.01   0.429% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.60 +/- 2.43   0.028% *  0.0528% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  24.20 +/- 6.52   0.138% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  18.62 +/- 5.09   0.145% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  22.98 +/- 5.99   0.080% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  17.38 +/- 4.78   0.192% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  30.60 +/- 7.89   0.046% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  30.03 +/- 7.11   0.034% *  0.0238% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.81 +/- 3.44   0.093% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  35.04 +/- 6.96   0.021% *  0.0364% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  30.17 +/- 8.42   0.062% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  29.65 +/- 7.81   0.043% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  33.81 +/- 5.32   0.018% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.73 +/- 1.31   0.052% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  26.83 +/- 5.14   0.041% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  21.51 +/- 3.47   0.092% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  28.86 +/- 4.79   0.044% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  26.99 +/- 2.05   0.026% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  28.92 +/- 3.88   0.026% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  32.98 +/- 5.29   0.020% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  31.97 +/- 6.67   0.032% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  26.12 +/- 3.25   0.033% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  34.31 +/- 2.70   0.013% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.826, support = 3.28, residual support = 45.7:
    * O T HG2   MET   11 - QB    MET   11   2.35 +/- 0.13  41.286% * 62.8007% (1.00  10.0 10.00   3.31  47.54) =  74.609%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.40 +/- 0.14  38.459% * 20.3350% (0.32  10.0 10.00   3.29  45.24) =  22.504%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.43 +/- 0.91   6.582% * 15.1066% (0.24   1.0 10.00   2.29   1.59) =   2.861%  kept
        T HB2   GLU-  14 - QB    MET   11   9.32 +/- 1.40   0.831% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.015%
        T HG2   MET   11 - QG    GLU-  14   9.41 +/- 1.50   0.836% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   MET   11 - QG    GLU-  15  11.46 +/- 1.41   0.407% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   68 - QG    GLU-  14  13.67 +/- 5.35   8.509% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HG3   GLU-  36  14.19 +/- 4.17   0.383% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HG3   GLU-  36  19.54 +/- 4.76   0.142% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  25.82 +/- 4.68   0.184% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  18.79 +/- 4.82   0.243% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  27.64 +/- 5.68   0.068% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  12.66 +/- 6.18   0.948% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  31.08 +/- 5.58   0.030% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  27.18 +/- 3.77   0.037% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  26.16 +/- 3.70   0.050% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  21.81 +/- 2.98   0.114% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  22.70 +/- 5.59   0.235% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.54 +/- 2.81   0.058% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.66 +/- 3.13   0.013% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  35.09 +/- 4.63   0.016% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  28.88 +/- 4.44   0.034% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  23.08 +/- 4.99   0.100% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  29.75 +/- 4.88   0.038% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  29.98 +/- 3.66   0.024% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.08 +/- 4.54   0.167% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  31.44 +/- 3.46   0.019% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  32.58 +/- 4.19   0.019% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.72 +/- 3.94   0.048% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.70 +/- 4.53   0.060% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  26.28 +/- 2.63   0.033% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.08 +/- 1.40   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 = 0.801, support = 3.27, residual support = 45.4:
    * O T HG3   MET   11 - QB    MET   11   2.44 +/- 0.13  40.036% * 64.2177% (1.00  10.0 10.00   3.31  47.54) =  71.628%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.33 +/- 0.15  45.346% * 19.7139% (0.31  10.0 10.00   3.29  45.24) =  24.906%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.04 +/- 1.10   8.442% * 14.6452% (0.23   1.0 10.00   2.15   1.59) =   3.444%  kept
        T HB3   GLU-  14 - QB    MET   11   9.79 +/- 1.43   0.812% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   MET   11 - QG    GLU-  14   9.83 +/- 1.56   0.825% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   MET   11 - QG    GLU-  15  12.07 +/- 1.57   0.365% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   GLU-  14 - HG3   GLU-  36  14.17 +/- 4.00   0.410% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HG3   GLU-  36  19.81 +/- 4.45   0.125% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  26.52 +/- 6.65   0.183% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.85 +/- 5.77   0.065% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  12.82 +/- 3.84   0.528% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.84 +/- 3.90   0.158% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  20.07 +/- 4.60   0.183% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.85 +/- 3.25   0.036% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  14.74 +/- 2.55   0.245% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.72 +/- 5.39   0.055% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.55 +/- 2.44   0.077% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  13.21 +/- 2.55   0.357% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  18.96 +/- 3.10   0.112% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  12.27 +/- 2.08   0.430% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  13.25 +/- 2.16   0.363% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  21.08 +/- 2.92   0.114% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  10.96 +/- 1.30   0.499% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.68 +/- 2.84   0.068% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.50 +/- 5.25   0.028% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.55 +/- 2.09   0.075% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  26.42 +/- 4.20   0.044% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  30.27 +/- 2.09   0.022% *  0.0022% (0.03   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 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T QB    ALA   12 - HA    ALA   12   2.12 +/- 0.01  98.028% * 99.1918% (0.82  10.0 10.00   2.00  12.51) =  99.998%  kept
          HG3   LYS+  33 - HA    ALA   12  16.87 +/- 3.82   0.449% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  29.62 +/- 6.19   0.276% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  21.55 +/- 4.73   0.383% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  21.09 +/- 3.82   0.202% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  23.40 +/- 4.36   0.151% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  21.93 +/- 3.48   0.109% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  22.38 +/- 2.34   0.097% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  26.96 +/- 4.87   0.092% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.76 +/- 4.34   0.051% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  33.33 +/- 5.83   0.039% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  30.81 +/- 6.38   0.065% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  29.95 +/- 4.51   0.059% *  0.0142% (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 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.816, support = 2.0, residual support = 12.5:
    * O T HA    ALA   12 - QB    ALA   12   2.12 +/- 0.01  81.521% * 94.5804% (0.82  10.0 10.00   2.00  12.51) =  99.271%  kept
          HA    MET   11 - QB    ALA   12   3.96 +/- 0.25  12.992% *  3.9062% (0.24   1.0  1.00   2.87  11.85) =   0.653%  kept
          HA    GLU-  14 - QB    ALA   12   5.82 +/- 0.73   4.760% *  1.2228% (0.89   1.0  1.00   0.24   0.02) =   0.075%
          HA    LEU  104 - QB    ALA   12  23.97 +/- 4.28   0.102% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  25.44 +/- 5.26   0.308% *  0.0191% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  31.20 +/- 6.87   0.056% *  0.0978% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.95 +/- 3.65   0.142% *  0.0243% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  31.73 +/- 6.70   0.050% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  31.45 +/- 6.30   0.069% *  0.0191% (0.17   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 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 = 0.864, support = 2.11, residual support = 12.6:
    * O T QB    SER   13 - HA    SER   13   2.38 +/- 0.15  50.148% * 63.6078% (1.00  10.0 10.00   1.93   6.23) =  72.470%  kept
      O T HB3   SER   37 - HA    SER   37   2.66 +/- 0.22  37.369% * 32.1525% (0.51  10.0 10.00   2.58  29.70) =  27.298%  kept
          HB    THR   39 - HA    SER   37   5.78 +/- 0.96   4.721% *  2.0335% (0.53   1.0  1.00   1.20   4.43) =   0.218%  kept
        T HB3   SER   37 - HA    SER   13  14.83 +/- 3.67   0.321% *  0.6017% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T QB    SER   13 - HA    SER   37  13.53 +/- 3.61   0.492% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   89 - HA    THR   46   9.58 +/- 2.85   2.599% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER   13 - HA    THR   46  25.33 +/- 3.34   0.081% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.30 +/- 2.46   0.060% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.53 +/- 4.15   0.290% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.68 +/- 1.72   1.105% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.30 +/- 2.92   0.349% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37   9.34 +/- 1.28   1.004% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  20.93 +/- 5.21   0.369% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  15.17 +/- 3.20   0.392% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  34.54 +/- 6.95   0.087% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.96 +/- 1.88   0.222% *  0.0233% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.82 +/- 7.86   0.075% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.15 +/- 1.38   0.063% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  25.76 +/- 3.51   0.052% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.75 +/- 5.66   0.048% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.63 +/- 4.73   0.031% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  21.65 +/- 2.25   0.072% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  34.99 +/- 4.27   0.025% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  32.90 +/- 3.73   0.025% *  0.0116% (0.18   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 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 12.9:
    * O T HA    SER   13 - QB    SER   13   2.38 +/- 0.15  48.995% * 63.8850% (1.00  10.0 10.00   1.93   6.23) =  71.710%  kept
      O T HA    SER   37 - HB3   SER   37   2.66 +/- 0.22  36.501% * 33.8056% (0.53  10.0 10.00   2.58  29.70) =  28.269%  kept
        T HA    SER   13 - HB3   SER   37  14.83 +/- 3.67   0.313% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.004%
        T HA    SER   37 - QB    SER   13  13.53 +/- 3.61   0.480% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  15 - QB    SER   13   6.70 +/- 0.63   2.415% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  15 - HB3   SER   37  11.45 +/- 4.27   1.609% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   8.59 +/- 1.09   1.206% *  0.0565% (0.88   1.0  1.00   0.02   0.71) =   0.002%
          HA    ASN   35 - HB3   SER   37   6.63 +/- 1.24   4.164% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   SER   37  13.50 +/- 3.39   1.312% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  25.33 +/- 3.34   0.081% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13  10.28 +/- 1.20   0.727% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.30 +/- 2.46   0.058% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   SER   37  22.54 +/- 4.06   0.226% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.43 +/- 1.84   0.164% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  20.38 +/- 6.83   0.291% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.26 +/- 3.36   0.083% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  12.87 +/- 5.17   0.611% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  15.36 +/- 3.18   0.329% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  20.01 +/- 4.78   0.172% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  25.02 +/- 3.65   0.090% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.95 +/- 4.48   0.113% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  25.45 +/- 3.69   0.058% *  0.0159% (0.25   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 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 = 0.878, support = 3.28, residual support = 45.7:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.80 +/- 0.23  51.767% * 70.8449% (1.00  10.0 10.00   3.10  45.24) =  80.033%  kept
      O T HG2   MET   11 - HA    MET   11   3.43 +/- 0.63  32.927% * 27.7398% (0.39  10.0 10.00   4.00  47.54) =  19.932%  kept
        T HG2   MET   11 - HA    GLU-  14  10.07 +/- 1.36   1.320% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.020%
        T HB2   GLU-  14 - HA    MET   11  10.00 +/- 1.47   1.421% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.009%
          HB2   PRO   68 - HA    GLU-  14  14.69 +/- 5.99  10.087% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   ARG+  54 - HA    GLU-  14  29.10 +/- 4.13   0.101% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  15.35 +/- 3.30   0.721% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.98 +/- 3.14   0.092% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.75 +/- 4.95   0.204% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  19.07 +/- 5.08   0.830% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  33.54 +/- 3.96   0.041% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  20.61 +/- 4.92   0.284% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  30.46 +/- 6.50   0.081% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.36 +/- 6.39   0.046% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  38.92 +/- 5.28   0.025% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  31.84 +/- 4.91   0.053% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.862, support = 3.37, residual support = 39.6:
    * O T QG    GLU-  14 - HA    GLU-  14   2.54 +/- 0.52  40.654% * 45.0668% (1.00  10.0 10.00   3.62  45.24) =  69.034%  kept
      O T QB    MET   11 - HA    MET   11   2.34 +/- 0.15  45.178% * 10.0127% (0.22  10.0 10.00   3.36  47.54) =  17.044%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.34 +/- 0.77   8.480% * 43.4925% (0.97   1.0 10.00   2.14   1.59) =  13.898%  kept
        T QB    MET   11 - HA    GLU-  14   8.84 +/- 0.89   0.946% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  14 - HA    MET   11   9.04 +/- 1.17   1.000% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.007%
        T QG    GLU-  15 - HA    MET   11  11.10 +/- 1.35   0.496% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  44 - HA    GLU-  14  20.74 +/- 3.96   0.174% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HA    GLU-  14  16.17 +/- 3.68   2.212% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    GLU-  14  15.09 +/- 2.97   0.223% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.99 +/- 4.01   0.042% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  30.18 +/- 6.19   0.080% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  22.61 +/- 3.15   0.064% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  21.58 +/- 2.06   0.066% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  34.91 +/- 6.67   0.057% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.16 +/- 6.28   0.093% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  20.67 +/- 5.12   0.167% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  28.57 +/- 5.40   0.043% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  36.13 +/- 6.26   0.026% *  0.0039% (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 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.916, support = 3.17, residual support = 44.9:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.80 +/- 0.23  45.814% * 80.7240% (1.00  10.0 10.00   3.10  45.24) =  89.521%  kept
      O T HA    MET   11 - HG2   MET   11   3.43 +/- 0.63  29.693% * 12.4277% (0.15  10.0 10.00   4.00  47.54) =   8.932%  kept
          HA    ALA   12 - HG2   MET   11   4.78 +/- 0.79  13.030% *  4.3306% (0.37   1.0  1.00   2.92  11.85) =   1.366%  kept
          HA    ALA   12 - HB2   GLU-  14   6.89 +/- 1.48   5.011% *  1.3185% (0.98   1.0  1.00   0.33   0.02) =   0.160%  kept
        T HA    MET   11 - HB2   GLU-  14  10.00 +/- 1.47   1.261% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.010%
        T HA    GLU-  14 - HG2   MET   11  10.07 +/- 1.36   1.230% *  0.3023% (0.37   1.0 10.00   0.02   0.02) =   0.009%
        T HA    GLU-  14 - HB2   ARG+  54  29.10 +/- 4.13   0.118% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.34 +/- 6.21   0.418% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  24.95 +/- 4.74   0.139% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.63 +/- 4.71   0.309% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  33.43 +/- 7.95   0.064% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  22.15 +/- 3.85   0.168% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  13.46 +/- 2.40   0.738% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.36 +/- 6.39   0.047% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.78 +/- 6.82   0.241% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.91 +/- 3.17   0.572% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  22.45 +/- 3.52   0.123% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  33.84 +/- 7.13   0.055% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.47 +/- 4.98   0.052% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  39.50 +/- 7.95   0.038% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.76 +/- 5.37   0.088% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  24.96 +/- 3.97   0.101% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.04 +/- 4.32   0.076% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  34.03 +/- 7.71   0.052% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  21.33 +/- 3.08   0.140% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.29 +/- 4.58   0.066% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  39.90 +/- 7.29   0.040% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  20.57 +/- 3.48   0.182% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.14 +/- 3.73   0.101% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  40.31 +/- 7.67   0.033% *  0.0041% (0.05   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 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 = 0.868, support = 3.17, residual support = 40.4:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.40 +/- 0.14  37.891% * 45.4322% (1.00  10.0 10.00   3.29  45.24) =  71.872%  kept
      O T QB    MET   11 - HG2   MET   11   2.35 +/- 0.13  40.226% *  9.6322% (0.21  10.0 10.00   3.31  47.54) =  16.177%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.43 +/- 0.91   6.517% * 43.8452% (0.97   1.0 10.00   2.29   1.59) =  11.930%  kept
        T QB    MET   11 - HB2   GLU-  14   9.32 +/- 1.40   0.844% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QG    GLU-  14 - HG2   MET   11   9.41 +/- 1.50   0.882% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  15 - HG2   MET   11  11.46 +/- 1.41   0.404% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HB2   GLU-  14  15.41 +/- 3.52   1.166% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   ARG+  54  25.82 +/- 4.68   0.238% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   ARG+  54  12.41 +/- 3.96   9.998% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  15.08 +/- 3.37   0.234% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.08 +/- 1.66   0.228% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  20.91 +/- 3.67   0.108% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  26.16 +/- 3.70   0.060% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  30.20 +/- 5.95   0.062% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  12.90 +/- 1.76   0.308% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.87 +/- 3.17   0.061% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.08 +/- 5.58   0.033% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  14.72 +/- 2.23   0.194% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.25 +/- 2.56   0.061% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  35.62 +/- 6.70   0.059% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.77 +/- 4.43   0.047% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  30.19 +/- 6.10   0.079% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.19 +/- 2.34   0.093% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  21.63 +/- 4.94   0.107% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  29.32 +/- 5.47   0.034% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  36.83 +/- 6.81   0.036% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.46 +/- 4.15   0.029% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.884, support = 3.38, residual support = 39.3:
    * O T HA    GLU-  14 - QG    GLU-  14   2.54 +/- 0.52  36.219% * 47.7845% (1.00  10.0 10.00   3.62  45.24) =  74.585%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.34 +/- 0.77   7.545% * 42.0431% (0.88   1.0 10.00   2.14   1.59) =  13.671%  kept
      O T HA    MET   11 - QB    MET   11   2.34 +/- 0.15  40.232% *  6.3752% (0.13  10.0 10.00   3.36  47.54) =  11.053%  kept
          HA    ALA   12 - QB    MET   11   4.20 +/- 0.36   7.308% *  1.7643% (0.32   1.0  1.00   2.32  11.85) =   0.556%  kept
          HA    ALA   12 - QG    GLU-  14   6.32 +/- 1.34   3.362% *  0.7805% (0.98   1.0  1.00   0.33   0.02) =   0.113%  kept
        T HA    MET   11 - QG    GLU-  14   9.04 +/- 1.17   0.887% *  0.1964% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T HA    GLU-  14 - QB    MET   11   8.84 +/- 0.89   0.841% *  0.1551% (0.32   1.0 10.00   0.02   0.02) =   0.006%
        T HA    MET   11 - QG    GLU-  15  11.10 +/- 1.35   0.441% *  0.1728% (0.36   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   12 - QG    GLU-  15   8.35 +/- 1.25   1.226% *  0.0412% (0.86   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QG    GLU-  15  19.27 +/- 5.00   0.208% *  0.1578% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  19.78 +/- 4.13   0.112% *  0.1793% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   77 - QG    GLU-  14  23.29 +/- 6.23   0.480% *  0.0147% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  22.54 +/- 4.32   0.072% *  0.0383% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  30.17 +/- 8.42   0.065% *  0.0417% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.76 +/- 3.63   0.042% *  0.0582% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  21.01 +/- 3.90   0.072% *  0.0337% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  29.65 +/- 7.81   0.045% *  0.0474% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.95 +/- 6.29   0.148% *  0.0130% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.36 +/- 4.38   0.167% *  0.0106% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  20.08 +/- 4.51   0.106% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  30.60 +/- 7.89   0.048% *  0.0130% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  29.02 +/- 6.11   0.129% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  30.03 +/- 7.11   0.036% *  0.0147% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.05 +/- 4.38   0.029% *  0.0124% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  35.04 +/- 6.96   0.022% *  0.0154% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  30.52 +/- 8.06   0.042% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  30.23 +/- 7.57   0.035% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.96 +/- 3.96   0.034% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  35.34 +/- 6.47   0.023% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  35.81 +/- 6.69   0.020% *  0.0021% (0.04   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 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 = 0.855, support = 3.16, residual support = 40.7:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.33 +/- 0.15  46.478% * 45.1588% (1.00  10.0 10.00   3.29  45.24) =  69.678%  kept
      O T HG3   MET   11 - QB    MET   11   2.44 +/- 0.13  41.035% * 13.8631% (0.31  10.0 10.00   3.31  47.54) =  18.885%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.04 +/- 1.10   8.653% * 39.7329% (0.88   1.0 10.00   2.15   1.59) =  11.414%  kept
        T HG3   MET   11 - QG    GLU-  14   9.83 +/- 1.56   0.845% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   MET   11 - QG    GLU-  15  12.07 +/- 1.57   0.375% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   GLU-  14 - QB    MET   11   9.79 +/- 1.43   0.833% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   MET   92 - QG    GLU-  15  26.52 +/- 6.65   0.187% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  12.82 +/- 3.84   0.541% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  20.07 +/- 4.60   0.188% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.84 +/- 3.90   0.162% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  14.74 +/- 2.55   0.251% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.85 +/- 5.77   0.067% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  21.08 +/- 2.92   0.117% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.68 +/- 2.84   0.069% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.55 +/- 2.44   0.079% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.85 +/- 3.25   0.037% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.72 +/- 5.39   0.056% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.50 +/- 5.25   0.029% *  0.0023% (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 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.993, support = 2.13, residual support = 8.44:
    * O T QG    GLU-  15 - HA    GLU-  15   2.86 +/- 0.57  59.767% * 49.8424% (1.00  10.0 10.00   2.02  10.05) =  80.941%  kept
        T QG    GLU-  14 - HA    GLU-  15   5.02 +/- 0.73  14.542% * 48.1014% (0.97   1.0 10.00   2.60   1.59) =  19.006%  kept
        T QG    GLU-  15 - HA    LEU   40  13.06 +/- 3.79   1.046% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.011%
        T QB    MET   11 - HA    GLU-  15  11.85 +/- 0.84   1.116% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.011%
          HB3   PHE   72 - HA    LEU   40   7.10 +/- 1.72   7.041% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.007%
        T QG    GLU-  14 - HA    LEU   40  14.95 +/- 2.57   0.653% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.007%
        T QG    GLU-  15 - HA    ASN   35  13.18 +/- 3.49   1.516% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLU-  14 - HA    ASN   35  14.78 +/- 3.39   1.209% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   72 - HA    GLU-  15  12.54 +/- 4.27   1.396% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    LEU   40  20.79 +/- 2.27   0.213% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    LEU   40  14.40 +/- 4.20   2.030% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    GLU-  15  18.54 +/- 4.43   0.667% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.96 +/- 0.99   0.817% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASN   35  19.24 +/- 3.47   0.381% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    GLU-  15  28.54 +/- 6.44   0.384% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  11.08 +/- 1.77   1.699% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  14.66 +/- 3.06   1.031% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.20 +/- 2.71   0.947% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  27.94 +/- 6.78   1.068% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  20.40 +/- 2.79   0.247% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  23.57 +/- 2.73   0.162% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  17.58 +/- 2.28   0.355% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.29 +/- 0.86   0.992% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  20.51 +/- 3.99   0.282% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  21.88 +/- 2.88   0.237% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  26.69 +/- 3.68   0.107% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  26.76 +/- 3.02   0.096% *  0.0013% (0.03   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 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.08, residual support = 9.79:
    * O T QB    GLU-  15 - HA    GLU-  15   2.31 +/- 0.14  59.839% * 73.9592% (1.00  10.0 10.00   3.15  10.05) =  97.375%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.73 +/- 0.85   5.086% * 23.0536% (1.00   1.0 10.00   0.62   0.02) =   2.580%  kept
        T HB3   PRO   68 - HA    GLU-  15  12.98 +/- 6.23   1.431% *  0.5922% (0.80   1.0 10.00   0.02   0.02) =   0.019%
        T QB    GLU-  15 - HA    LEU   40  12.38 +/- 3.50   0.630% *  0.5981% (0.81   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   GLN   17 - HA    LEU   40  14.22 +/- 2.86   0.347% *  0.5981% (0.81   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PRO   68 - HA    LEU   40  13.52 +/- 1.73   0.392% *  0.4789% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLU-  15   9.14 +/- 1.74   1.403% *  0.0419% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    LEU   40  10.15 +/- 2.83   4.840% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    LEU   40  11.47 +/- 3.06   1.435% *  0.0246% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU   40  11.28 +/- 2.64   1.003% *  0.0339% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   40  10.23 +/- 6.29   2.484% *  0.0133% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU-  15  13.83 +/- 5.65   0.839% *  0.0360% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ASN   35  12.60 +/- 3.46   1.948% *  0.0137% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    ASN   35  12.26 +/- 2.72   3.429% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  15  11.61 +/- 2.28   0.715% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35  11.07 +/- 6.65   6.759% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  13.05 +/- 2.07   0.479% *  0.0291% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  16.05 +/- 2.78   0.356% *  0.0387% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.68 +/- 3.02   0.153% *  0.0700% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.99 +/- 2.31   0.644% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  16.53 +/- 4.69   1.220% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  20.86 +/- 3.19   0.120% *  0.0593% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  15.70 +/- 3.56   0.519% *  0.0137% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.40 +/- 2.92   0.113% *  0.0566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  16.61 +/- 4.36   0.513% *  0.0110% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  10.16 +/- 1.43   0.897% *  0.0056% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  15.55 +/- 4.16   0.383% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.04 +/- 1.29   1.279% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.95 +/- 6.30   0.181% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.81 +/- 2.01   0.061% *  0.0478% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  28.84 +/- 3.32   0.037% *  0.0733% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.57 +/- 0.92   0.124% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  21.44 +/- 2.63   0.097% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  21.46 +/- 2.78   0.094% *  0.0089% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  26.46 +/- 3.75   0.052% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  21.72 +/- 3.67   0.096% *  0.0024% (0.03   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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.976, support = 2.12, residual support = 8.5:
    * O T HA    GLU-  15 - QG    GLU-  15   2.86 +/- 0.57  43.158% * 48.6781% (1.00  10.0 10.00   2.02  10.05) =  80.250%  kept
        T HA    GLU-  15 - QG    GLU-  14   5.02 +/- 0.73  10.262% * 42.8293% (0.88   1.0 10.00   2.60   1.59) =  16.789%  kept
          HA    SER   13 - QG    GLU-  14   4.92 +/- 0.65  11.907% *  5.4441% (0.88   1.0  1.00   2.54   6.65) =   2.476%  kept
          HA    SER   13 - QG    GLU-  15   6.37 +/- 1.16   8.419% *  1.3513% (1.00   1.0  1.00   0.56   0.02) =   0.435%  kept
        T HA    LEU   40 - QG    GLU-  15  13.06 +/- 3.79   0.724% *  0.4605% (0.95   1.0 10.00   0.02   0.02) =   0.013%
        T HA    LEU   40 - QG    GLU-  14  14.95 +/- 2.57   0.459% *  0.4051% (0.83   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLN   17 - QG    GLU-  15   6.98 +/- 0.68   4.944% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T HA    ASN   35 - QG    GLU-  15  13.18 +/- 3.49   1.076% *  0.1084% (0.22   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  15 - QB    MET   11  11.85 +/- 0.84   0.770% *  0.1174% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASN   35 - QG    GLU-  14  14.78 +/- 3.39   0.899% *  0.0954% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   37 - QG    GLU-  15  10.92 +/- 4.42   2.867% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG    GLU-  14   7.93 +/- 1.38   2.875% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - QB    MET   11   6.67 +/- 0.78   4.699% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - QG    GLU-  14  12.93 +/- 3.22   1.874% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - QG    GLU-  15  20.10 +/- 3.39   0.741% *  0.0486% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - QB    MET   11  20.79 +/- 2.27   0.149% *  0.1110% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG    GLU-  14  20.60 +/- 2.90   0.224% *  0.0427% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  23.41 +/- 5.10   0.242% *  0.0315% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  19.24 +/- 3.47   0.270% *  0.0261% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  17.46 +/- 4.42   0.357% *  0.0166% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  23.09 +/- 4.03   0.441% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  23.45 +/- 4.43   0.150% *  0.0277% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  19.21 +/- 3.79   0.211% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  17.16 +/- 5.45   0.398% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  14.96 +/- 1.59   0.374% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  17.46 +/- 3.51   0.364% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.61 +/- 5.15   0.344% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  25.83 +/- 4.83   0.135% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  23.83 +/- 3.25   0.135% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  23.85 +/- 5.54   0.251% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  28.88 +/- 4.67   0.093% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  29.15 +/- 4.61   0.074% *  0.0029% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  24.14 +/- 5.12   0.113% *  0.0016% (0.03   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 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 = 0.996, support = 4.03, residual support = 81.7:
    * O T HB2   GLN   17 - HA    GLN   17   2.65 +/- 0.20  73.689% * 77.9689% (1.00  10.0 10.00   4.14  84.19) =  97.044%  kept
        T HB3   PRO   68 - HA    GLN   17  11.38 +/- 7.33   9.793% * 13.4120% (0.80   1.0 10.00   0.43   0.02) =   2.219%  kept
        T QB    GLU-  15 - HA    GLN   17   6.59 +/- 0.39   5.241% *  8.2588% (1.00   1.0 10.00   0.21   0.02) =   0.731%  kept
          HG2   PRO   68 - HA    GLN   17  11.99 +/- 6.83   3.315% *  0.0380% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    GLN   17   8.02 +/- 0.54   2.840% *  0.0441% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLN   17  11.72 +/- 2.44   1.862% *  0.0321% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLN   17  18.73 +/- 3.63   0.447% *  0.0738% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLN   17  11.75 +/- 2.45   1.852% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  21.33 +/- 2.57   0.167% *  0.0504% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  25.86 +/- 4.10   0.107% *  0.0773% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.90 +/- 6.39   0.353% *  0.0174% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  18.43 +/- 3.77   0.333% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.1:
    * O T QG    GLN   17 - HA    GLN   17   2.64 +/- 0.53  91.650% * 98.5118% (0.76  10.0 10.00   4.31  84.19) =  99.937%  kept
        T HB    VAL   70 - HA    GLN   17   9.82 +/- 5.89   4.989% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.059%
          HB2   MET   96 - HA    GLN   17  19.01 +/- 4.66   0.818% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLN   17  18.24 +/- 3.54   1.006% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLN   17  20.33 +/- 6.74   0.639% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   17  19.14 +/- 7.47   0.602% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  21.15 +/- 3.31   0.296% *  0.0440% (0.34   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 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.213, support = 3.55, residual support = 47.1:
    * O T HA    GLN   17 - HB2   GLN   17   2.65 +/- 0.20  31.603% * 44.6424% (0.24  10.0 10.00   4.14  84.19) =  50.425%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.31 +/- 0.14  45.545% * 28.3690% (0.15  10.0 10.00   3.15  10.05) =  46.180%  kept
        T HA    GLN   17 - HB3   PRO   68  11.38 +/- 7.33   3.804% * 24.0617% (0.61   1.0 10.00   0.43   0.02) =   3.271%  kept
        T HA    GLN   17 - QB    GLU-  15   6.59 +/- 0.39   2.076% *  0.5011% (0.27   1.0 10.00   0.02   0.02) =   0.037%
        T HA    GLU-  15 - HB2   GLN   17   5.73 +/- 0.85   3.998% *  0.2527% (0.14   1.0 10.00   0.02   0.02) =   0.036%
        T HA    GLU-  15 - HB3   PRO   68  12.98 +/- 6.23   0.992% *  0.6341% (0.34   1.0 10.00   0.02   0.02) =   0.022%
          HA    SER   13 - HB3   PRO   68  16.20 +/- 5.97   2.431% *  0.0634% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          HA    SER   37 - QB    GLU-  15  10.47 +/- 4.29   2.634% *  0.0501% (0.27   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LEU   40 - HB3   PRO   68  13.52 +/- 1.73   0.286% *  0.4204% (0.23   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU   40 - QB    GLU-  15  12.38 +/- 3.50   0.480% *  0.1881% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   13 - QB    GLU-  15   6.17 +/- 0.71   2.814% *  0.0284% (0.15   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LEU   40 - HB2   GLN   17  14.22 +/- 2.86   0.265% *  0.1675% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB3   PRO   68  15.90 +/- 2.88   0.252% *  0.1120% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   GLN   17  10.05 +/- 1.55   0.852% *  0.0253% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   GLN   17  14.44 +/- 3.21   0.367% *  0.0446% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  14.77 +/- 1.69   0.220% *  0.0679% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   PRO   68  15.55 +/- 2.55   0.215% *  0.0589% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  20.40 +/- 3.25   0.090% *  0.1110% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  15.31 +/- 4.02   0.274% *  0.0304% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  22.52 +/- 4.97   0.125% *  0.0497% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  17.98 +/- 3.68   0.240% *  0.0235% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  15.55 +/- 3.41   0.203% *  0.0271% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.44 +/- 2.96   0.153% *  0.0264% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  21.56 +/- 4.73   0.080% *  0.0442% (0.24   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 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 = 0.201, support = 4.2, residual support = 78.6:
    * O T QG    GLN   17 - HB2   GLN   17   2.43 +/- 0.08  69.863% * 38.6564% (0.18  10.0 10.00   4.46  84.19) =  93.280%  kept
        T HB    VAL   70 - HB3   PRO   68   7.65 +/- 0.90   2.558% * 51.4053% (0.51   1.0 10.00   0.97   1.05) =   4.541%  kept
        T QG    GLN   17 - QB    GLU-  15   5.53 +/- 1.17  11.275% *  4.5960% (0.21   1.0 10.00   0.21   0.02) =   1.790%  kept
        T QG    GLN   17 - HB3   PRO   68  10.43 +/- 5.99   9.441% *  0.9699% (0.46   1.0 10.00   0.02   0.02) =   0.316%  kept
        T HB    VAL   70 - HB2   GLN   17  10.92 +/- 4.67   1.694% *  0.4225% (0.20   1.0 10.00   0.02   0.02) =   0.025%
        T HB    VAL   70 - QB    GLU-  15  11.64 +/- 3.76   1.118% *  0.4742% (0.23   1.0 10.00   0.02   0.02) =   0.018%
        T HB2   GLU-  25 - HB2   GLN   17  17.39 +/- 3.92   0.614% *  0.3272% (0.16   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   GLU- 100 - QB    GLU-  15  17.20 +/- 6.07   0.396% *  0.3673% (0.18   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   GLU- 100 - HB3   PRO   68  21.14 +/- 6.18   0.171% *  0.8210% (0.39   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  25 - QB    GLU-  15  18.09 +/- 2.69   0.294% *  0.3673% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  25 - HB3   PRO   68  24.93 +/- 3.26   0.094% *  0.8210% (0.39   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   GLU- 100 - HB2   GLN   17  20.92 +/- 6.43   0.227% *  0.3272% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   96 - QB    GLU-  15  18.97 +/- 4.50   0.717% *  0.0563% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   PRO   68  19.10 +/- 2.20   0.172% *  0.1258% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  19.24 +/- 3.86   0.289% *  0.0719% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLN   17  19.53 +/- 3.57   0.199% *  0.0501% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  18.80 +/- 6.75   0.274% *  0.0286% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  20.58 +/- 3.91   0.156% *  0.0433% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  20.72 +/- 5.45   0.203% *  0.0321% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  20.80 +/- 3.00   0.141% *  0.0194% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  22.13 +/- 2.80   0.103% *  0.0173% (0.08   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 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.762, support = 4.29, residual support = 83.8:
    * O T HA    GLN   17 - QG    GLN   17   2.64 +/- 0.53  48.289% * 98.3821% (0.76  10.0 10.00   4.31  84.19) =  99.503%  kept
          HA    GLU-  15 - QG    GLN   17   4.88 +/- 1.41  24.454% *  0.9231% (0.43   1.0  1.00   0.33   0.02) =   0.473%  kept
        T HA    GLN   17 - HB    VAL   70   9.82 +/- 5.89   2.409% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.010%
          HA    SER   37 - HB    VAL   70  12.66 +/- 3.24  12.216% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.005%
          HA    SER   13 - QG    GLN   17   9.01 +/- 1.79   2.514% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - QG    GLN   17  13.05 +/- 3.24   1.008% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB    VAL   70   8.26 +/- 2.13   3.166% *  0.0122% (0.09   1.0  1.00   0.02   0.41) =   0.001%
          HA    VAL   42 - QG    GLN   17  13.95 +/- 3.54   0.498% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG    GLN   17  12.64 +/- 3.03   0.744% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG    GLN   17  16.00 +/- 3.28   0.517% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG    GLN   17  19.20 +/- 4.54   0.179% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   8.07 +/- 1.36   2.062% *  0.0076% (0.06   1.0  1.00   0.02  33.77) =   0.000%
          HA    GLU-  15 - HB    VAL   70  12.33 +/- 4.14   0.833% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  12.71 +/- 2.05   0.626% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.89 +/- 1.85   0.244% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.97 +/- 2.66   0.242% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.38, residual support = 82.7:
    * O T HB2   GLN   17 - QG    GLN   17   2.43 +/- 0.08  58.201% * 87.8806% (0.76  10.0 10.00   4.46  84.19) =  98.178%  kept
        T QB    GLU-  15 - QG    GLN   17   5.53 +/- 1.17   9.427% *  9.3087% (0.76   1.0 10.00   0.21   0.02) =   1.684%  kept
        T HB3   PRO   68 - QG    GLN   17  10.43 +/- 5.99   7.866% *  0.7037% (0.61   1.0 10.00   0.02   0.02) =   0.106%  kept
        T HB3   GLU-  25 - QG    GLN   17  16.96 +/- 3.72   0.479% *  0.8313% (0.72   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   PRO   68 - HB    VAL   70   7.65 +/- 0.90   2.131% *  0.1441% (0.13   1.0 10.00   0.02   1.05) =   0.006%
        T HB2   GLN   17 - HB    VAL   70  10.92 +/- 4.67   1.401% *  0.1800% (0.16   1.0 10.00   0.02   0.02) =   0.005%
        T QB    GLU-  15 - HB    VAL   70  11.64 +/- 3.76   0.931% *  0.1800% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - QG    GLN   17   7.42 +/- 1.32   3.004% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG    GLN   17  11.18 +/- 5.46   2.296% *  0.0428% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - QG    GLN   17  10.75 +/- 2.51   1.595% *  0.0361% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU- 100 - QG    GLN   17  19.15 +/- 6.00   0.284% *  0.1957% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB    VAL   70   7.12 +/- 1.51   3.995% *  0.0088% (0.08   1.0  1.00   0.02   1.05) =   0.001%
          HB    ILE   19 - HB    VAL   70  10.30 +/- 3.43   3.402% *  0.0102% (0.09   1.0  1.00   0.02   0.16) =   0.001%
        T HB3   GLU-  25 - HB    VAL   70  20.68 +/- 1.67   0.106% *  0.1703% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  10.92 +/- 2.13   1.168% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  17.12 +/- 5.61   0.306% *  0.0401% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.76 +/- 1.78   0.118% *  0.0569% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  23.76 +/- 2.99   0.076% *  0.0871% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.42 +/- 2.02   0.732% *  0.0074% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.21 +/- 4.31   1.201% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  17.33 +/- 2.79   0.216% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.08 +/- 2.22   0.240% *  0.0116% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.25 +/- 2.99   0.125% *  0.0178% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.52 +/- 1.50   0.700% *  0.0032% (0.03   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 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 = 76.4:
    * O T HB    VAL   18 - HA    VAL   18   2.66 +/- 0.24  89.742% * 99.6862% (1.00  10.0 10.00   3.55  76.43) =  99.992%  kept
          HB2   LEU   67 - HA    VAL   18   9.14 +/- 5.86   6.863% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU   40 - HA    VAL   18  11.70 +/- 3.36   2.479% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HA    VAL   18  21.74 +/- 4.35   0.236% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  18.47 +/- 3.38   0.357% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  18.97 +/- 3.25   0.322% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.11, residual support = 76.3:
    * O T QG1   VAL   18 - HA    VAL   18   2.27 +/- 0.28  85.380% * 96.9878% (1.00  10.0 10.00   4.11  76.43) =  99.821%  kept
          QD1   LEU   71 - HA    VAL   18   8.60 +/- 4.52   4.800% *  1.8475% (0.84   1.0  1.00   0.46   0.02) =   0.107%  kept
        T QG1   VAL   70 - HA    VAL   18   8.43 +/- 4.30   6.017% *  0.9507% (0.98   1.0 10.00   0.02   0.02) =   0.069%
          HB3   LEU   63 - HA    VAL   18  10.56 +/- 4.04   2.717% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   18  13.94 +/- 2.93   0.635% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  18.53 +/- 4.16   0.268% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  19.71 +/- 2.59   0.181% *  0.0192% (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 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.987, support = 4.12, residual support = 73.9:
    * O T QG2   VAL   18 - HA    VAL   18   2.97 +/- 0.34  67.829% * 85.3468% (1.00  10.0 10.00   4.11  76.43) =  95.403%  kept
          QD1   ILE   19 - HA    VAL   18   4.94 +/- 0.85  20.577% * 13.3363% (0.73   1.0  1.00   4.30  22.88) =   4.522%  kept
        T QG1   VAL   41 - HA    VAL   18   9.50 +/- 3.92   5.807% *  0.6522% (0.76   1.0 10.00   0.02   0.02) =   0.062%
        T QD2   LEU  104 - HA    VAL   18  14.26 +/- 3.46   0.887% *  0.4832% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   43 - HA    VAL   18  11.38 +/- 4.60   2.405% *  0.0788% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HA    VAL   18  14.81 +/- 5.47   1.300% *  0.0837% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    VAL   18  12.02 +/- 1.66   1.195% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.4:
    * O T HA    VAL   18 - HB    VAL   18   2.66 +/- 0.24  89.369% * 99.3791% (1.00  10.0 10.00   3.55  76.43) =  99.991%  kept
          HA    VAL   70 - HB    VAL   18  10.18 +/- 6.02   7.248% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HA    GLU-  29 - HB    VAL   18  15.33 +/- 2.50   0.879% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  15.44 +/- 2.07   0.674% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB    VAL   18  21.87 +/- 8.21   0.376% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  18.32 +/- 3.62   0.389% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  16.62 +/- 2.09   0.523% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  24.47 +/- 9.05   0.221% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  27.22 +/- 8.04   0.137% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  23.83 +/- 6.41   0.184% *  0.0276% (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 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 = 76.4:
    * O T QG1   VAL   18 - HB    VAL   18   2.11 +/- 0.02  85.779% * 99.5994% (1.00  10.0 10.00   3.43  76.43) =  99.985%  kept
          QG1   VAL   70 - HB    VAL   18   8.88 +/- 4.92   9.397% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.011%
          QD1   LEU   71 - HB    VAL   18   9.88 +/- 4.68   1.881% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HB    VAL   18  10.35 +/- 4.93   2.200% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB    VAL   18  13.78 +/- 3.06   0.457% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  19.55 +/- 4.30   0.160% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  19.76 +/- 2.96   0.125% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 76.1:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.02  89.991% * 86.8237% (1.00  10.0 10.00   3.24  76.43) =  99.378%  kept
          QD1   ILE   19 - HB    VAL   18   6.67 +/- 0.89   3.921% * 11.8366% (0.73   1.0  1.00   3.75  22.88) =   0.590%  kept
        T QG1   VAL   41 - HB    VAL   18  10.96 +/- 4.30   3.280% *  0.6635% (0.76   1.0 10.00   0.02   0.02) =   0.028%
        T QD2   LEU  104 - HB    VAL   18  15.27 +/- 3.63   0.381% *  0.4916% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    VAL   18  12.16 +/- 4.90   1.051% *  0.0801% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   18  14.40 +/- 6.23   0.796% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  13.56 +/- 2.13   0.581% *  0.0193% (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 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 76.4:
    * O T HA    VAL   18 - QG1   VAL   18   2.27 +/- 0.28  91.974% * 97.2871% (1.00  10.0 10.00   4.11  76.43) =  99.959%  kept
        T HA    VAL   70 - QG1   VAL   18   8.77 +/- 4.67   4.030% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.030%
        T HA    SER   48 - QG1   VAL   18  17.71 +/- 6.88   0.586% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   SER   82 - QG1   VAL   18  19.36 +/- 7.81   0.395% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   18  12.22 +/- 1.34   0.680% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  12.47 +/- 1.43   0.713% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  15.27 +/- 2.90   0.501% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  13.31 +/- 1.56   0.604% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  21.68 +/- 7.03   0.222% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  19.37 +/- 5.53   0.295% *  0.0270% (0.28   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 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.4:
    * O T HB    VAL   18 - QG1   VAL   18   2.11 +/- 0.02  91.052% * 99.6862% (1.00  10.0 10.00   3.43  76.43) =  99.993%  kept
          HB2   LEU   67 - QG1   VAL   18   8.15 +/- 5.25   6.188% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   40 - QG1   VAL   18  10.75 +/- 2.96   1.784% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QG1   VAL   18  14.93 +/- 3.38   0.422% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  17.27 +/- 4.44   0.243% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  15.28 +/- 3.39   0.312% *  0.0485% (0.49   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 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 = 0.995, support = 3.97, residual support = 75.3:
    * O T QG2   VAL   18 - QG1   VAL   18   2.05 +/- 0.06  80.538% * 80.0572% (1.00  10.0 10.00   4.00  76.43) =  98.166%  kept
          QD1   ILE   19 - QG1   VAL   18   5.34 +/- 0.56   5.527% * 12.5665% (0.73   1.0  1.00   4.32  22.88) =   1.058%  kept
        T QG1   VAL   41 - QG1   VAL   18   8.47 +/- 3.50   7.445% *  6.7529% (0.76   1.0 10.00   0.22   0.02) =   0.765%  kept
        T QD2   LEU  104 - QG1   VAL   18  12.03 +/- 2.97   0.732% *  0.4532% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - QG1   VAL   18   9.13 +/- 4.33   3.310% *  0.0739% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - QG1   VAL   18  11.47 +/- 5.35   1.566% *  0.0785% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.55 +/- 1.78   0.883% *  0.0178% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 76.2:
    * O T HA    VAL   18 - QG2   VAL   18   2.97 +/- 0.34  51.309% * 94.9109% (1.00  10.0 10.00   4.11  76.43) =  99.703%  kept
          HA    LYS+  33 - QG1   VAL   41   8.65 +/- 2.15   3.028% *  3.1493% (0.72   1.0  1.00   0.92   0.02) =   0.195%  kept
        T HA    VAL   18 - QG1   VAL   41   9.50 +/- 3.92   4.322% *  0.7253% (0.76   1.0 10.00   0.02   0.02) =   0.064%
          HA    VAL   70 - QG1   VAL   41   7.17 +/- 1.90   8.756% *  0.0498% (0.52   1.0  1.00   0.02   2.60) =   0.009%
          HA    GLN   32 - QG1   VAL   41   8.57 +/- 3.37  12.542% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.008%
          HA    VAL   70 - QG2   VAL   18   9.22 +/- 4.28   4.384% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HA    GLU-  29 - QG1   VAL   41  10.50 +/- 3.38   1.972% *  0.0724% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HA    VAL   18 - QD2   LEU  104  14.26 +/- 3.46   0.666% *  0.1458% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - QG2   VAL   18  12.89 +/- 2.23   0.984% *  0.0947% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   18  13.21 +/- 1.77   0.704% *  0.0898% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG1   VAL   41  17.63 +/- 4.28   0.714% *  0.0719% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - QG2   VAL   18  17.97 +/- 6.48   0.633% *  0.0689% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   41  15.04 +/- 3.15   0.865% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   18  15.55 +/- 2.78   0.496% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  19.92 +/- 7.02   0.311% *  0.0941% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG2   VAL   18  14.22 +/- 1.67   0.523% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  11.51 +/- 4.22   1.976% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.21 +/- 4.17   1.042% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.70 +/- 1.10   0.228% *  0.0527% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  13.86 +/- 2.83   0.733% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  20.32 +/- 3.77   0.271% *  0.0353% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  22.34 +/- 6.10   0.183% *  0.0462% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  19.63 +/- 4.96   0.291% *  0.0264% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.01 +/- 3.57   1.093% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.41 +/- 2.94   0.705% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.19 +/- 2.33   0.211% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  19.65 +/- 4.41   0.265% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  20.49 +/- 5.11   0.326% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  19.94 +/- 2.94   0.210% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  20.18 +/- 3.74   0.259% *  0.0041% (0.04   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 3.24, residual support = 76.2:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.02  71.480% * 93.2300% (1.00  10.0 10.00   3.24  76.43) =  99.550%  kept
          HB2   LEU   40 - QG1   VAL   41   5.17 +/- 0.22   5.083% *  5.3757% (0.26   1.0  1.00   4.42  20.55) =   0.408%  kept
        T HB    VAL   18 - QG1   VAL   41  10.96 +/- 4.30   2.591% *  0.7125% (0.76   1.0 10.00   0.02   0.02) =   0.028%
          HB2   LEU   67 - QG2   VAL   18   8.09 +/- 5.11   6.861% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   67 - QG1   VAL   41   9.46 +/- 2.00   1.449% *  0.0639% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG2   VAL   18  11.54 +/- 2.90   2.681% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   18 - QD2   LEU  104  15.27 +/- 3.63   0.302% *  0.1433% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QG1   VAL   41  13.89 +/- 3.38   1.140% *  0.0375% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD2   LEU  104   7.95 +/- 4.25   5.773% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  17.24 +/- 3.93   0.190% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  15.44 +/- 2.93   0.253% *  0.0491% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  15.25 +/- 3.10   0.251% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  13.01 +/- 3.50   0.655% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  19.40 +/- 2.17   0.113% *  0.0639% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  17.50 +/- 1.93   0.187% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  13.31 +/- 2.70   0.733% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  20.26 +/- 3.10   0.111% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.22 +/- 2.33   0.148% *  0.0070% (0.07   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 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.97, support = 4.01, residual support = 79.9:
    * O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  52.197% * 84.6816% (1.00  10.0 10.00   4.00  76.43) =  96.184%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.97 +/- 0.41  21.476% *  6.3338% (0.07  10.0 10.00   5.41 216.83) =   2.960%  kept
        T QG1   VAL   18 - QG1   VAL   41   8.47 +/- 3.50   5.018% *  7.1429% (0.76   1.0 10.00   0.22   0.02) =   0.780%  kept
          QD1   LEU   71 - QG1   VAL   41   6.34 +/- 2.25   4.924% *  0.4642% (0.64   1.0  1.00   0.17   0.76) =   0.050%
          QG1   VAL   70 - QG2   VAL   18   7.88 +/- 3.56   3.741% *  0.0830% (0.98   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   LEU  104 - QG1   VAL   41   9.67 +/- 2.45   0.973% *  0.3150% (0.37   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LEU   63 - QG2   VAL   18   8.96 +/- 3.47   2.346% *  0.0582% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QG1   VAL   41   6.97 +/- 1.14   1.739% *  0.0634% (0.75   1.0  1.00   0.02   2.60) =   0.002%
          QD1   LEU   71 - QG2   VAL   18   8.71 +/- 3.23   1.125% *  0.0707% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG2   VAL   18  16.60 +/- 4.21   0.173% *  0.4122% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QD2   LEU  104  12.03 +/- 2.97   0.454% *  0.1301% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  11.85 +/- 2.43   0.415% *  0.0707% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41  10.08 +/- 1.73   0.582% *  0.0445% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   9.38 +/- 3.48   1.661% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.36 +/- 3.31   0.387% *  0.0541% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.38 +/- 3.49   0.870% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  11.36 +/- 3.36   0.606% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.61 +/- 4.38   0.580% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.61 +/- 1.82   0.243% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  16.50 +/- 1.95   0.117% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.40 +/- 1.20   0.375% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.5:
    * O T HB    ILE   19 - HA    ILE   19   2.88 +/- 0.20  76.057% * 98.7896% (1.00  10.0 10.00   5.75 172.63) =  99.953%  kept
        T HB3   GLU-  25 - HA    ILE   19  13.11 +/- 2.90   3.252% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.033%
          HB2   GLN   17 - HA    ILE   19   5.80 +/- 0.84  11.288% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.008%
          QB    GLU-  15 - HA    ILE   19   9.11 +/- 1.16   2.998% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    ILE   19  15.30 +/- 4.09   1.424% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HA    ILE   19  14.76 +/- 4.72   4.115% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    ILE   19  21.18 +/- 2.49   0.221% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  20.74 +/- 2.69   0.252% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.31 +/- 2.11   0.246% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  25.47 +/- 3.46   0.146% *  0.0481% (0.49   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 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 6.26, residual support = 171.2:
    * O T HG12  ILE   19 - HA    ILE   19   3.33 +/- 0.57  63.828% * 95.3432% (1.00  10.0 10.00   6.31 172.63) =  99.179%  kept
        T HG    LEU   73 - HA    ILE   19   8.81 +/- 4.19  15.163% *  3.1878% (0.34   1.0 10.00   0.20   4.43) =   0.788%  kept
        T HG    LEU   80 - HA    ILE   19  19.71 +/- 7.42   0.939% *  0.9346% (0.98   1.0 10.00   0.02   0.02) =   0.014%
          HB3   LYS+  74 - HA    ILE   19   9.51 +/- 5.49  11.117% *  0.0540% (0.57   1.0  1.00   0.02   7.68) =   0.010%
          HB3   LEU   67 - HA    ILE   19  11.84 +/- 3.94   2.205% *  0.0692% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HA    ILE   19  12.58 +/- 3.05   1.666% *  0.0827% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    ILE   19  13.04 +/- 2.57   1.718% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ILE   19  20.12 +/- 5.01   0.957% *  0.0578% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ILE   19  19.77 +/- 6.80   0.745% *  0.0729% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  15.41 +/- 3.65   0.967% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  21.37 +/- 2.24   0.277% *  0.0945% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.12 +/- 5.05   0.419% *  0.0238% (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 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.74, residual support = 172.4:
    * O T HG13  ILE   19 - HA    ILE   19   3.16 +/- 0.61  66.689% * 98.2804% (1.00  10.0 10.00   5.75 172.63) =  99.887%  kept
        T HG    LEU   71 - HA    ILE   19  10.01 +/- 4.18   6.180% *  0.8814% (0.90   1.0 10.00   0.02   1.25) =   0.083%
          QG2   THR   39 - HA    ILE   19   9.67 +/- 2.99  10.308% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.013%
          HG2   LYS+  74 - HA    ILE   19  11.19 +/- 5.50   5.506% *  0.0907% (0.92   1.0  1.00   0.02   7.68) =   0.008%
          HG3   LYS+  99 - HA    ILE   19  18.46 +/- 6.10   2.057% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   ILE   56 - HA    ILE   19  17.62 +/- 2.04   0.445% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HA    ILE   19   8.48 +/- 1.80   6.844% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HA    ILE   19  16.52 +/- 2.86   1.222% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  19.56 +/- 3.62   0.353% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  24.66 +/- 5.25   0.235% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  26.40 +/- 3.64   0.161% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.12 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 4.93, residual support = 160.0:
    *   T QD1   ILE   19 - HA    ILE   19   3.13 +/- 0.72  59.782% * 84.7349% (1.00 10.00   4.93 172.63) =  91.552%  kept
          QG2   VAL   18 - HA    ILE   19   4.32 +/- 0.60  31.078% * 15.0283% (0.73  1.00   4.88  22.88) =   8.441%  kept
          QD2   LEU  104 - HA    ILE   19  15.47 +/- 3.91   1.801% *  0.0818% (0.97  1.00   0.02   0.02) =   0.003%
          QG1   VAL   41 - HA    ILE   19  10.02 +/- 3.31   3.988% *  0.0262% (0.31  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    ILE   19  15.50 +/- 4.19   0.984% *  0.0708% (0.84  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    ILE   19  12.10 +/- 3.30   1.557% *  0.0412% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HA    ILE   19  14.70 +/- 2.89   0.811% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.24 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.6:
    * O T HA    ILE   19 - HB    ILE   19   2.88 +/- 0.20  90.222% * 98.6066% (1.00  10.0 10.00   5.75 172.63) =  99.973%  kept
        T HA    GLU-  25 - HB    ILE   19  12.01 +/- 2.02   2.334% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.024%
          HA    THR   26 - HB    ILE   19   9.18 +/- 1.97   6.833% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   82 - HB    ILE   19  23.75 +/- 7.28   0.339% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  21.80 +/- 3.06   0.272% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.967, support = 5.12, residual support = 164.1:
    * O T HG12  ILE   19 - HB    ILE   19   2.50 +/- 0.21  77.111% * 74.0566% (1.00  10.0 10.00   5.30 172.63) =  94.906%  kept
        T HG    LEU   73 - HB    ILE   19   7.37 +/- 4.27  13.854% * 21.3392% (0.34   1.0 10.00   1.69   4.43) =   4.913%  kept
          HB3   LYS+  74 - HB    ILE   19   9.51 +/- 4.70   3.162% *  3.0211% (0.57   1.0  1.00   1.44   7.68) =   0.159%  kept
        T HB3   LEU   67 - HB    ILE   19  11.54 +/- 3.53   1.355% *  0.5378% (0.73   1.0 10.00   0.02   0.02) =   0.012%
        T HG    LEU   80 - HB    ILE   19  18.92 +/- 7.32   0.582% *  0.7259% (0.98   1.0 10.00   0.02   0.02) =   0.007%
          QB    ALA   61 - HB    ILE   19  12.41 +/- 2.89   1.237% *  0.0642% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HB    ILE   19  13.43 +/- 2.33   0.686% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  18.90 +/- 6.79   0.468% *  0.0566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  19.05 +/- 4.89   0.402% *  0.0449% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  13.58 +/- 3.67   0.699% *  0.0229% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  20.58 +/- 2.04   0.159% *  0.0734% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.11 +/- 5.00   0.286% *  0.0185% (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 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.94, residual support = 170.6:
    * O T HG13  ILE   19 - HB    ILE   19   2.70 +/- 0.31  69.586% * 76.4215% (1.00  10.0 10.00   5.00 172.63) =  98.798%  kept
        T HG2   LYS+  74 - HB    ILE   19  11.11 +/- 4.76   2.359% * 16.6359% (0.92   1.0 10.00   0.47   7.68) =   0.729%  kept
        T HG    LEU   71 - HB    ILE   19   9.41 +/- 3.72   3.745% *  6.4834% (0.90   1.0 10.00   0.19   1.25) =   0.451%  kept
          QG2   THR   39 - HB    ILE   19   8.56 +/- 3.15  11.512% *  0.0638% (0.84   1.0  1.00   0.02   0.02) =   0.014%
          HG3   LYS+  99 - HB    ILE   19  16.62 +/- 5.95   2.760% *  0.0723% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   34 - HB    ILE   19   6.88 +/- 1.60   8.053% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HB    ILE   19  14.90 +/- 2.73   0.891% *  0.0433% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB    ILE   19  18.81 +/- 3.76   0.374% *  0.0638% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.35 +/- 3.36   0.143% *  0.1512% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  17.02 +/- 2.27   0.374% *  0.0287% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  23.53 +/- 5.35   0.202% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 4.21, residual support = 168.2:
    * O T QD1   ILE   19 - HB    ILE   19   2.74 +/- 0.41  69.985% * 84.7287% (1.00  10.0 10.00   4.19 172.63) =  97.029%  kept
          QG2   VAL   18 - HB    ILE   19   5.54 +/- 0.61  12.036% * 15.0346% (0.73   1.0  1.00   4.89  22.88) =   2.961%  kept
          QG1   VAL   41 - HB    ILE   19   8.28 +/- 3.28  11.416% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HB    ILE   19  10.51 +/- 3.47   3.200% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HB    ILE   19  13.88 +/- 3.71   1.207% *  0.0818% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    ILE   19  14.93 +/- 3.90   0.986% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  13.00 +/- 3.03   1.170% *  0.0168% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.11 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.995, support = 6.27, residual support = 171.3:
    * O T HA    ILE   19 - HG12  ILE   19   3.33 +/- 0.57  59.771% * 96.1207% (1.00  10.0 10.00   6.31 172.63) =  99.228%  kept
        T HA    ILE   19 - HG    LEU   73   8.81 +/- 4.19  14.198% *  3.0770% (0.33   1.0 10.00   0.20   4.43) =   0.755%  kept
        T HA    ILE   19 - HG    LEU   80  19.71 +/- 7.42   0.910% *  0.3943% (0.41   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  25 - HG12  ILE   19  13.69 +/- 1.89   1.617% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG12  ILE   19  10.66 +/- 2.00   4.655% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   82 - HG    LEU   80   7.28 +/- 0.95   7.376% *  0.0148% (0.15   1.0  1.00   0.02   0.44) =   0.002%
          HA    GLU-  25 - HG    LEU   80  18.26 +/- 8.03   2.555% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG    LEU   73  11.54 +/- 2.77   2.016% *  0.0290% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  22.31 +/- 3.69   0.273% *  0.0862% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.54 +/- 3.20   0.780% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73  10.68 +/- 2.98   2.672% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  18.66 +/- 3.31   0.480% *  0.0354% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  19.60 +/- 7.96   1.687% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  24.97 +/- 7.29   0.315% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  19.24 +/- 4.26   0.694% *  0.0118% (0.12   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 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.968, support = 5.13, residual support = 164.7:
    * O T HB    ILE   19 - HG12  ILE   19   2.50 +/- 0.21  66.174% * 77.5606% (1.00  10.0 10.00   5.30 172.63) =  95.261%  kept
        T HB    ILE   19 - HG    LEU   73   7.37 +/- 4.27  11.894% * 21.3973% (0.33   1.0 10.00   1.69   4.43) =   4.724%  kept
          HB2   GLN   17 - HG12  ILE   19   6.78 +/- 0.90   4.087% *  0.0439% (0.57   1.0  1.00   0.02   0.02) =   0.003%
        T HB    ILE   19 - HG    LEU   80  18.92 +/- 7.32   0.498% *  0.3181% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - HG12  ILE   19   8.30 +/- 1.71   2.399% *  0.0439% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HG12  ILE   19  14.39 +/- 2.21   1.032% *  0.0593% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG12  ILE   19  14.86 +/- 4.41   0.695% *  0.0769% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   80  23.64 +/- 7.61   2.565% *  0.0180% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE   19  14.45 +/- 5.00   1.346% *  0.0173% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80  18.80 +/- 8.83   0.803% *  0.0243% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.37 +/- 3.95   0.541% *  0.0315% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  23.61 +/- 5.25   0.489% *  0.0315% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  13.09 +/- 3.98   1.025% *  0.0143% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.79 +/- 2.71   0.664% *  0.0194% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.26 +/- 4.06   0.506% *  0.0251% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  20.29 +/- 2.18   0.157% *  0.0769% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  16.05 +/- 4.32   1.041% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  22.70 +/- 5.05   0.633% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.61 +/- 2.01   0.370% *  0.0251% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  14.25 +/- 3.84   0.518% *  0.0143% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  23.14 +/- 7.76   0.346% *  0.0180% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  17.90 +/- 4.03   0.592% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.69 +/- 3.22   0.188% *  0.0319% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  19.56 +/- 2.34   0.166% *  0.0291% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  24.72 +/- 3.30   0.084% *  0.0378% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  20.88 +/- 4.56   0.199% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.53 +/- 2.50   0.426% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  20.87 +/- 3.25   0.174% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  23.84 +/- 5.31   0.286% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.36 +/- 3.10   0.101% *  0.0131% (0.17   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 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 = 0.996, support = 5.22, residual support = 169.7:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  70.152% * 64.6871% (1.00  10.0 10.00   5.30 172.63) =  98.264%  kept
        T HG    LEU   71 - HG12  ILE   19   8.26 +/- 5.03   2.780% * 23.9100% (0.90   1.0 10.00   0.82   1.25) =   1.440%  kept
        T HG    LEU   71 - HG    LEU   73   9.98 +/- 1.93   1.171% *  8.2501% (0.29   1.0 10.00   0.87   1.19) =   0.209%  kept
        T HG13  ILE   19 - HG    LEU   73   9.18 +/- 4.41   1.540% *  2.0707% (0.33   1.0 10.00   0.20   4.43) =   0.069%
          QG2   THR   39 - HG12  ILE   19   8.07 +/- 3.35  10.125% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.012%
          QB    ALA   34 - HG12  ILE   19   7.20 +/- 2.04   3.520% *  0.0144% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG13  ILE   19 - HG    LEU   80  20.50 +/- 7.40   0.188% *  0.2653% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HG12  ILE   19  14.59 +/- 3.27   0.851% *  0.0366% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HG12  ILE   19  12.13 +/- 5.11   0.456% *  0.0597% (0.92   1.0  1.00   0.02   7.68) =   0.001%
          HG2   LYS+  74 - HG    LEU   73   7.49 +/- 1.18   1.272% *  0.0195% (0.30   1.0  1.00   0.02  42.84) =   0.001%
          QB    ALA   34 - HG    LEU   73   7.56 +/- 2.59   3.595% *  0.0047% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.69 +/- 6.08   0.269% *  0.0612% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  20.90 +/- 4.23   0.066% *  0.2379% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73  10.75 +/- 2.57   0.635% *  0.0176% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  11.75 +/- 2.46   0.497% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  12.86 +/- 3.28   0.365% *  0.0245% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  19.63 +/- 4.07   0.072% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  14.70 +/- 2.21   0.158% *  0.0176% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.62 +/- 1.84   0.418% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.65 +/- 3.02   0.347% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.95 +/- 2.99   0.226% *  0.0120% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  16.81 +/- 4.46   0.124% *  0.0200% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  17.33 +/- 2.75   0.100% *  0.0243% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  19.09 +/- 4.11   0.109% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.72 +/- 5.54   0.300% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.81 +/- 2.92   0.147% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  16.58 +/- 4.30   0.174% *  0.0059% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  23.80 +/- 4.22   0.038% *  0.0251% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  24.54 +/- 5.56   0.044% *  0.0161% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  24.82 +/- 6.39   0.046% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  18.59 +/- 3.25   0.119% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.67 +/- 3.57   0.033% *  0.0128% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.73 +/- 4.47   0.062% *  0.0042% (0.06   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 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 0.994, support = 4.27, residual support = 170.1:
    * O T QD1   ILE   19 - HG12  ILE   19   2.14 +/- 0.01  61.215% * 81.7662% (1.00  10.0 10.00   4.27 172.63) =  98.369%  kept
          QG2   VAL   18 - HG12  ILE   19   5.58 +/- 0.75   4.703% * 13.9274% (0.73   1.0  1.00   4.69  22.88) =   1.287%  kept
        T QD1   ILE   19 - HG    LEU   73   7.65 +/- 3.07   4.120% *  2.6175% (0.33   1.0 10.00   0.20   4.43) =   0.212%  kept
          QG2   VAL   18 - HG    LEU   73   8.86 +/- 4.18   8.383% *  0.7272% (0.24   1.0  1.00   0.75   0.21) =   0.120%  kept
        T QD1   ILE   19 - HG    LEU   80  17.20 +/- 5.50   0.334% *  0.3354% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - HG12  ILE   19   8.46 +/- 3.40   3.811% *  0.0252% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HG    LEU   73   7.08 +/- 2.90   5.378% *  0.0130% (0.16   1.0  1.00   0.02   6.40) =   0.001%
        T QD1   LEU   98 - HG12  ILE   19  13.39 +/- 3.03   0.363% *  0.1618% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG12  ILE   19  14.07 +/- 3.55   0.437% *  0.0789% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG    LEU   80  10.57 +/- 3.77   2.068% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   73   7.94 +/- 3.09   4.077% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG12  ILE   19  11.25 +/- 3.50   0.717% *  0.0398% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  14.83 +/- 4.30   0.387% *  0.0664% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG12  ILE   19  15.67 +/- 4.25   0.348% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  11.03 +/- 3.53   1.028% *  0.0223% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80  11.83 +/- 2.10   0.495% *  0.0280% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.97 +/- 3.58   0.504% *  0.0258% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  16.77 +/- 7.08   0.333% *  0.0244% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.23 +/- 3.95   0.147% *  0.0324% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  15.15 +/- 3.82   0.425% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73  11.17 +/- 3.08   0.727% *  0.0053% (0.06   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 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 172.6:
    * O T HA    ILE   19 - HG13  ILE   19   3.16 +/- 0.61  80.962% * 98.6722% (1.00  10.0 10.00   5.75 172.63) =  99.978%  kept
        T HA    ILE   19 - HG    LEU   71  10.01 +/- 4.18   7.462% *  0.1414% (0.14   1.0 10.00   0.02   1.25) =   0.013%
        T HA    CYS   53 - HG13  ILE   19  22.85 +/- 3.71   0.293% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  25 - HG13  ILE   19  13.95 +/- 1.72   2.360% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - HG13  ILE   19  10.73 +/- 1.76   6.263% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    CYS   53 - HG    LEU   71  21.26 +/- 2.90   0.340% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG13  ILE   19  25.41 +/- 7.39   0.463% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  18.20 +/- 2.42   0.592% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.52 +/- 2.36   1.033% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  25.79 +/- 3.26   0.233% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.6:
    * O T HB    ILE   19 - HG13  ILE   19   2.70 +/- 0.31  58.644% * 98.7569% (1.00  10.0 10.00   5.00 172.63) =  99.974%  kept
        T HB    ILE   19 - HG    LEU   71   9.41 +/- 3.72   3.165% *  0.1416% (0.14   1.0 10.00   0.02   1.25) =   0.008%
          HB2   GLN   17 - HG13  ILE   19   6.29 +/- 1.16   7.421% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HG13  ILE   19   7.90 +/- 1.63   3.668% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - HG    LEU   71   9.34 +/- 6.30  11.623% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG13  ILE   19  14.77 +/- 4.13   0.785% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG13  ILE   19  14.64 +/- 2.00   0.907% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  25.29 +/- 3.14   0.098% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   71  10.55 +/- 5.57   5.503% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG13  ILE   19  14.33 +/- 4.79   1.703% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG    LEU   71  10.23 +/- 1.88   1.656% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  20.79 +/- 2.02   0.151% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71   9.72 +/- 2.22   2.820% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  21.15 +/- 2.99   0.192% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  23.54 +/- 2.94   0.111% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  20.10 +/- 2.12   0.182% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  19.46 +/- 3.72   0.656% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  18.88 +/- 2.77   0.224% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  19.51 +/- 2.33   0.191% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  17.97 +/- 2.82   0.301% *  0.0053% (0.05   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.6:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  84.188% * 97.7565% (1.00  10.0 10.00   5.30 172.63) =  99.980%  kept
        T HG    LEU   73 - HG13  ILE   19   9.18 +/- 4.41   1.852% *  0.3335% (0.34   1.0 10.00   0.02   4.43) =   0.008%
        T HG12  ILE   19 - HG    LEU   71   8.26 +/- 5.03   3.386% *  0.1401% (0.14   1.0 10.00   0.02   1.25) =   0.006%
        T HG    LEU   80 - HG13  ILE   19  20.50 +/- 7.40   0.224% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   73 - HG    LEU   71   9.98 +/- 1.93   1.406% *  0.0478% (0.05   1.0 10.00   0.02   1.19) =   0.001%
          HB3   LYS+  74 - HG13  ILE   19  10.88 +/- 4.87   0.840% *  0.0553% (0.57   1.0  1.00   0.02   7.68) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  11.41 +/- 4.08   0.576% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  13.20 +/- 3.30   0.346% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  20.53 +/- 6.97   0.306% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.21 +/- 3.04   1.467% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.44 +/- 2.93   0.303% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.49 +/- 2.60   1.668% *  0.0079% (0.08   1.0  1.00   0.02   0.66) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.44 +/- 1.90   1.261% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  20.90 +/- 4.23   0.078% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.35 +/- 4.13   0.247% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  19.10 +/- 4.21   0.104% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  21.40 +/- 2.28   0.052% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  11.82 +/- 2.38   0.460% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  16.06 +/- 4.84   0.345% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  12.97 +/- 4.20   0.535% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.59 +/- 5.49   0.086% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.21 +/- 2.25   0.066% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  20.99 +/- 3.44   0.068% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  19.63 +/- 5.36   0.136% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.19, residual support = 170.8:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.01  72.173% * 84.5687% (1.00  10.0 10.00   4.18 172.63) =  98.750%  kept
          QG2   VAL   18 - HG13  ILE   19   5.57 +/- 0.75   5.064% * 15.0312% (0.73   1.0  1.00   4.90  22.88) =   1.232%  kept
        T QD1   ILE   19 - HG    LEU   71   6.90 +/- 3.40   7.471% *  0.1212% (0.14   1.0 10.00   0.02   1.25) =   0.015%
          QG1   VAL   41 - HG13  ILE   19   8.74 +/- 3.39   3.131% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG13  ILE   19  14.37 +/- 3.81   0.440% *  0.0816% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG13  ILE   19  16.10 +/- 4.30   0.469% *  0.0706% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG13  ILE   19  11.66 +/- 3.60   0.803% *  0.0412% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG    LEU   71   7.10 +/- 2.52   4.959% *  0.0037% (0.04   1.0  1.00   0.02   0.76) =   0.000%
          QG1   VAL   43 - HG    LEU   71  10.68 +/- 2.20   2.060% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.72 +/- 3.97   1.327% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.95 +/- 3.70   0.646% *  0.0117% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.72 +/- 3.36   0.438% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  15.49 +/- 2.79   0.304% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  12.75 +/- 3.26   0.715% *  0.0024% (0.03   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 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 172.6:
    *   T HA    ILE   19 - QD1   ILE   19   3.13 +/- 0.72  78.177% * 99.7561% (1.00 10.00   4.93 172.63) =  99.990%  kept
          HA    THR   26 - QD1   ILE   19   8.18 +/- 1.71  17.743% *  0.0249% (0.25  1.00   0.02   0.02) =   0.006%
          HA    GLU-  25 - QD1   ILE   19  11.08 +/- 1.59   2.926% *  0.0921% (0.92  1.00   0.02   0.02) =   0.003%
          HA    CYS   53 - QD1   ILE   19  19.40 +/- 2.88   0.521% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  21.24 +/- 5.51   0.633% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.11 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 172.3:
    * O T HB    ILE   19 - QD1   ILE   19   2.74 +/- 0.41  66.819% * 98.8735% (1.00  10.0 10.00   4.19 172.63) =  99.830%  kept
          HB2   GLN   17 - QD1   ILE   19   6.09 +/- 1.26  15.849% *  0.6511% (0.57   1.0  1.00   0.23   0.02) =   0.156%  kept
          QB    GLU-  15 - QD1   ILE   19   6.80 +/- 1.88  10.187% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.009%
          HG2   PRO   68 - QD1   ILE   19  12.90 +/- 2.79   1.601% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   ILE   19  11.66 +/- 1.74   1.169% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD1   ILE   19  12.43 +/- 3.38   3.248% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   ILE   19  17.76 +/- 2.01   0.292% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  18.04 +/- 2.98   0.320% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  17.20 +/- 2.21   0.345% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.55 +/- 2.76   0.170% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 172.6:
    * O T HG12  ILE   19 - QD1   ILE   19   2.14 +/- 0.01  85.124% * 97.8860% (1.00  10.0 10.00   4.27 172.63) =  99.962%  kept
        T HG    LEU   73 - QD1   ILE   19   7.65 +/- 3.07   5.745% *  0.3339% (0.34   1.0 10.00   0.02   4.43) =   0.023%
        T HG    LEU   80 - QD1   ILE   19  17.20 +/- 5.50   0.518% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LEU   98 - QD1   ILE   19  12.08 +/- 2.81   0.642% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   ILE   19   9.26 +/- 3.44   2.856% *  0.0554% (0.57   1.0  1.00   0.02   7.68) =   0.002%
          QB    ALA   61 - QD1   ILE   19  11.25 +/- 2.78   1.600% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QD1   ILE   19  10.20 +/- 2.57   1.190% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   ILE   19  17.26 +/- 5.19   0.774% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD1   ILE   19  11.71 +/- 2.03   0.693% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  16.33 +/- 4.14   0.382% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  18.25 +/- 2.08   0.163% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.18 +/- 4.36   0.313% *  0.0244% (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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 172.4:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  61.807% * 98.6077% (1.00  10.0 10.00   4.18 172.63) =  99.882%  kept
        T HG    LEU   71 - QD1   ILE   19   6.90 +/- 3.40   6.086% *  0.8843% (0.90   1.0 10.00   0.02   1.25) =   0.088%
          QG2   THR   39 - QD1   ILE   19   6.53 +/- 2.62  14.231% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.019%
          QB    ALA   34 - QD1   ILE   19   5.82 +/- 1.65  12.597% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  99 - QD1   ILE   19  14.06 +/- 5.15   1.616% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - QD1   ILE   19  11.82 +/- 2.63   2.043% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QD1   ILE   19  10.69 +/- 3.46   1.033% *  0.0910% (0.92   1.0  1.00   0.02   7.68) =   0.002%
          QB    ALA   91 - QD1   ILE   19  17.03 +/- 3.02   0.181% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  15.16 +/- 2.19   0.228% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  21.13 +/- 4.22   0.107% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.37 +/- 2.93   0.072% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  98.571% * 99.6998% (1.00  10.0 10.00   2.31  15.22) =  99.999%  kept
          HB3   LEU   31 - HA    ALA   20  13.36 +/- 1.17   0.429% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  21.01 +/- 4.77   0.228% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  18.43 +/- 3.02   0.253% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  16.67 +/- 2.30   0.238% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  19.29 +/- 3.35   0.162% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  23.15 +/- 4.33   0.119% *  0.0135% (0.14   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 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  95.440% * 99.9427% (1.00  10.0 10.00   2.31  15.22) =  99.998%  kept
          HA    LEU   71 - QB    ALA   20   9.70 +/- 3.82   4.284% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 102 - QB    ALA   20  19.12 +/- 4.05   0.277% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.76, residual support = 30.1:
    * O T HB2   CYS   21 - HA    CYS   21   2.64 +/- 0.23  99.250% * 99.9059% (1.00  10.0 10.00   2.76  30.08) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  17.28 +/- 3.66   0.470% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  24.81 +/- 4.32   0.280% *  0.0566% (0.57   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 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.77, residual support = 30.1:
    * O T HB3   CYS   21 - HA    CYS   21   2.62 +/- 0.24  99.500% * 99.9348% (0.69  10.0 10.00   2.77  30.08) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  17.24 +/- 3.61   0.500% *  0.0652% (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 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 = 2.66, residual support = 30.1:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.789% * 99.9348% (0.69  10.0 10.00   2.66  30.08) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  15.49 +/- 3.70   0.211% *  0.0652% (0.45   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 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.66, residual support = 30.1:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.723% * 99.9059% (0.69  10.0 10.00   2.66  30.08) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  16.08 +/- 4.52   0.206% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.82 +/- 4.52   0.071% *  0.0566% (0.39   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 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 +/- 0.06  98.026% * 99.8331% (0.76  10.0 10.00   2.32  35.22) =  99.998%  kept
          HA    LEU   63 - HA    HIS   22  17.51 +/- 3.14   1.062% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HA    HIS   22  22.68 +/- 7.07   0.912% *  0.0425% (0.32   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 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   2.81 +/- 0.30  99.580% * 99.9165% (0.95  10.0 10.00   3.46  35.22) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  22.94 +/- 5.60   0.420% *  0.0835% (0.79   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 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 +/- 0.06  99.353% * 99.7956% (0.76  10.0 10.00   2.32  35.22) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  16.28 +/- 2.88   0.450% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  21.53 +/- 2.65   0.196% *  0.1046% (0.79   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 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  99.901% * 99.9165% (0.80  10.0 10.00   4.26  35.22) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  24.30 +/- 6.25   0.099% *  0.0835% (0.67   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 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   2.81 +/- 0.30  98.935% * 99.7956% (0.95  10.0 10.00   3.46  35.22) =  99.999%  kept
          HA    VAL   43 - HB3   HIS   22  15.94 +/- 3.17   0.755% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  20.96 +/- 2.69   0.310% *  0.1046% (0.99   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 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  99.462% * 99.8331% (0.80  10.0 10.00   4.26  35.22) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  18.89 +/- 3.44   0.193% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  23.35 +/- 7.35   0.345% *  0.0425% (0.34   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 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 = 19.2:
    * O T QG2   THR   23 - HA    THR   23   2.63 +/- 0.48  95.233% * 99.3383% (0.80  10.0 10.00   3.36  19.16) =  99.994%  kept
        T QB    ALA   91 - HA    THR   23  17.46 +/- 3.37   0.838% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   39 - HA    THR   23  16.07 +/- 2.84   0.753% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    THR   23  12.50 +/- 1.16   1.197% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  13.95 +/- 3.58   1.469% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  18.88 +/- 2.66   0.321% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  22.74 +/- 1.86   0.190% *  0.0445% (0.36   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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.619, support = 3.36, residual support = 19.2:
    * O T HA    THR   23 - QG2   THR   23   2.63 +/- 0.48  37.323% * 73.9129% (0.80  10.0 10.00   3.36  19.16) =  65.257%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.02  57.221% * 25.6645% (0.28  10.0  1.00   3.36  19.16) =  34.739%  kept
          HA    LEU   80 - QG2   THR   23  15.65 +/- 7.84   1.245% *  0.0379% (0.41   1.0  1.00   0.02   0.61) =   0.001%
        T HA    THR   23 - QG2   THR   39  16.07 +/- 2.84   0.219% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QB    ALA   91   8.73 +/- 2.81   2.375% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QG2   THR   23  16.78 +/- 5.50   0.247% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QB    ALA   91  17.46 +/- 3.37   0.187% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  11.63 +/- 2.17   0.683% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  21.01 +/- 2.42   0.076% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.21 +/- 2.74   0.200% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  20.18 +/- 3.18   0.102% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  19.19 +/- 3.23   0.122% *  0.0027% (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 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 64.9:
    * O T QG1   VAL   24 - HA    VAL   24   2.96 +/- 0.42  93.985% * 99.7332% (1.00  10.0 10.00   3.42  64.94) =  99.996%  kept
          QG1   VAL  107 - HA    VAL   24  16.81 +/- 4.09   2.028% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HA    VAL   24   9.82 +/- 0.62   3.044% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    VAL   24  24.54 +/- 4.95   0.290% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  20.97 +/- 4.99   0.652% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 64.9:
    * O T HA    VAL   24 - QG1   VAL   24   2.96 +/- 0.42  97.579% * 99.8757% (1.00  10.0 10.00   3.42  64.94) =  99.999%  kept
          HA    LYS+  38 - QG1   VAL   24  16.92 +/- 1.23   0.558% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  14.70 +/- 2.96   1.406% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  19.02 +/- 2.65   0.458% *  0.0375% (0.38   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 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 = 127.4:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.95 +/- 0.10  85.811% * 99.2829% (1.00  10.0 10.00   5.27 127.37) =  99.992%  kept
        T HB2   GLU-  25 - HA    SER   82  23.38 +/- 9.08   0.950% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HA    GLU-  25  20.25 +/- 6.84   9.353% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   17 - HA    GLU-  25  16.63 +/- 3.36   1.015% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLU-  25  18.08 +/- 4.61   0.572% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  19.29 +/- 1.70   0.340% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  16.65 +/- 4.41   0.752% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  24.89 +/- 6.93   0.380% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  19.76 +/- 1.78   0.315% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  23.61 +/- 2.73   0.192% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  28.70 +/- 5.63   0.129% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  26.97 +/- 6.44   0.189% *  0.0056% (0.06   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 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   2.72 +/- 0.15  88.778% * 98.0202% (1.00  10.0 10.00   5.00 127.37) =  99.962%  kept
        T HB    ILE   19 - HA    GLU-  25  12.01 +/- 2.02   3.354% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.029%
        T HB3   GLU-  25 - HA    SER   82  22.60 +/- 9.54   1.289% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - HA    GLU-  25  17.57 +/- 3.68   0.846% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HA    SER   82  23.75 +/- 7.28   0.276% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU-  25   9.49 +/- 0.96   2.420% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU-  25  18.10 +/- 2.67   0.526% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HA    GLU-  25  24.01 +/- 4.85   0.288% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  27.92 +/- 7.40   0.516% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  28.16 +/- 5.46   0.131% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  24.51 +/- 3.10   0.161% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  24.35 +/- 3.39   0.173% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  27.91 +/- 7.51   0.195% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  22.13 +/- 3.38   0.219% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.16 +/- 4.18   0.176% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  27.85 +/- 4.41   0.206% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  28.25 +/- 4.19   0.148% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  24.06 +/- 6.58   0.298% *  0.0079% (0.08   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 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.63 +/- 0.62  93.738% * 99.4877% (1.00  10.0 10.00   4.31 127.37) =  99.996%  kept
        T HG2   GLU-  25 - HA    SER   82  23.43 +/- 9.02   0.861% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.003%
          HB3   TRP   87 - HA    SER   82   9.79 +/- 0.63   2.533% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.67 +/- 4.06   0.630% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  27.87 +/- 5.84   0.678% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  28.46 +/- 5.81   0.464% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  24.42 +/- 6.55   0.318% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  19.85 +/- 3.28   0.527% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  28.44 +/- 2.27   0.121% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  27.93 +/- 2.19   0.129% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.4:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.03 +/- 0.60  86.904% * 99.2510% (1.00  10.0 10.00   3.73 127.37) =  99.991%  kept
        T HG3   GLU-  25 - HA    SER   82  23.38 +/- 9.17   1.402% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HA    GLU-  25  17.77 +/- 6.15   1.239% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HA    SER   82   9.73 +/- 0.91   3.749% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    SER   82  15.89 +/- 3.67   2.754% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.78 +/- 5.25   1.183% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  17.26 +/- 1.61   0.656% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  24.28 +/- 3.72   0.475% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  23.68 +/- 4.56   0.317% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  28.19 +/- 4.17   0.149% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  24.93 +/- 5.73   0.455% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.77 +/- 2.95   0.339% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  30.42 +/- 5.34   0.173% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  25.75 +/- 2.75   0.205% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 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   2.95 +/- 0.10  87.060% * 99.2383% (1.00  10.0 10.00   5.27 127.37) =  99.981%  kept
          HA    ILE   19 - HB2   GLU-  25  12.50 +/- 2.97  11.780% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.012%
        T HA    SER   82 - HB2   GLU-  25  23.38 +/- 9.08   0.967% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HA    CYS   53 - HB2   GLU-  25  26.82 +/- 3.71   0.192% *  0.0682% (0.69   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 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 = 127.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  94.658% * 97.2368% (1.00  10.0 10.00   5.27 127.37) =  99.992%  kept
          HB    ILE   19 - HB2   GLU-  25  12.14 +/- 2.49   4.085% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLN   17 - HB2   GLU-  25  17.39 +/- 3.92   0.308% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T QB    GLU-  15 - HB2   GLU-  25  18.09 +/- 2.69   0.139% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB2   GLU-  25  24.93 +/- 3.26   0.044% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.84 +/- 1.08   0.617% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  25.33 +/- 4.76   0.075% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  29.60 +/- 5.35   0.035% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  25.21 +/- 2.94   0.039% *  0.0668% (0.69   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 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 127.4:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.61 +/- 0.28  99.238% * 99.8559% (1.00  10.0 10.00   4.58 127.37) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  26.01 +/- 6.46   0.258% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.22 +/- 3.72   0.224% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  29.50 +/- 5.84   0.127% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  28.94 +/- 5.89   0.154% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.4:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.69 +/- 0.26  97.937% * 99.6757% (1.00  10.0 10.00   4.00 127.37) =  99.999%  kept
          HB2   GLU-  79 - HB2   GLU-  25  18.65 +/- 6.81   0.665% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.99 +/- 1.82   0.369% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  24.98 +/- 4.50   0.289% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  29.41 +/- 4.07   0.130% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  25.58 +/- 3.75   0.245% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  25.72 +/- 5.95   0.365% *  0.0277% (0.28   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 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.0, residual support = 127.3:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.72 +/- 0.15  92.626% * 98.4268% (1.00  10.0 10.00   5.00 127.37) =  99.932%  kept
        T HA    ILE   19 - HB3   GLU-  25  13.11 +/- 2.90   5.902% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.059%
        T HA    SER   82 - HB3   GLU-  25  22.60 +/- 9.54   1.346% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.009%
          HA    CYS   53 - HB3   GLU-  25  26.64 +/- 3.44   0.125% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.4:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00  98.591% * 98.0062% (1.00  10.0 10.00   5.27 127.37) =  99.996%  kept
        T QG    GLN   17 - HB3   GLU-  25  16.96 +/- 3.72   0.287% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   70 - HB3   GLU-  25  20.68 +/- 1.67   0.065% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   GLU-  25  22.20 +/- 7.07   0.898% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  19.82 +/- 4.60   0.102% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  21.69 +/- 1.79   0.057% *  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 = 127.4:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.93 +/- 0.10  98.808% * 99.8559% (1.00  10.0 10.00   4.44 127.37) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  25.44 +/- 6.78   0.289% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.26 +/- 3.85   0.325% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  29.63 +/- 5.83   0.248% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  29.07 +/- 5.86   0.330% *  0.0278% (0.28   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 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.4:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.59 +/- 0.22  98.148% * 99.2075% (1.00  10.0 10.00   3.86 127.37) =  99.998%  kept
        T QG    GLU- 114 - HB3   GLU-  25  25.00 +/- 4.47   0.235% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB3   GLU-  25  18.16 +/- 7.27   0.775% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.85 +/- 1.59   0.300% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  29.10 +/- 4.01   0.107% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  25.22 +/- 3.81   0.184% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  25.89 +/- 5.57   0.251% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.13 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.63 +/- 0.62  96.063% * 99.2383% (1.00  10.0 10.00   4.31 127.37) =  99.992%  kept
        T HA    SER   82 - HG2   GLU-  25  23.43 +/- 9.02   0.883% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   19 - HG2   GLU-  25  14.10 +/- 3.04   2.723% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   53 - HG2   GLU-  25  27.20 +/- 4.36   0.331% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 127.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.61 +/- 0.28  93.557% * 99.7000% (1.00  10.0 10.00   4.58 127.37) =  99.997%  kept
          QG    GLN   17 - HG2   GLU-  25  17.84 +/- 3.86   1.129% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   GLU-  25  21.94 +/- 7.20   4.540% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HG2   GLU-  25  20.10 +/- 4.56   0.342% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  21.21 +/- 1.76   0.201% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.36 +/- 2.13   0.231% *  0.0340% (0.34   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 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.93 +/- 0.10  89.623% * 99.4104% (1.00  10.0 10.00   4.44 127.37) =  99.992%  kept
          HB    ILE   19 - HG2   GLU-  25  13.57 +/- 2.44   5.275% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - HG2   GLU-  25  18.86 +/- 4.21   1.594% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG2   GLU-  25  19.29 +/- 2.93   0.545% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  11.01 +/- 1.18   1.922% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   GLU-  25  25.41 +/- 5.27   0.501% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  29.68 +/- 5.90   0.202% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  26.32 +/- 3.01   0.163% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  26.08 +/- 3.36   0.177% *  0.0603% (0.61   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 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 = 127.4:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.445% * 99.6757% (1.00  10.0 10.00   3.31 127.37) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  19.17 +/- 6.38   0.176% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  25.05 +/- 5.07   0.089% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  18.52 +/- 2.26   0.099% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  29.68 +/- 4.72   0.036% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  26.41 +/- 6.43   0.100% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  25.76 +/- 3.79   0.055% *  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   3.03 +/- 0.60  82.288% * 98.4268% (1.00  10.0 10.00   3.73 127.37) =  99.809%  kept
        T HA    ILE   19 - HG3   GLU-  25  14.39 +/- 3.31  16.194% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.181%  kept
        T HA    SER   82 - HG3   GLU-  25  23.38 +/- 9.17   1.354% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.010%
          HA    CYS   53 - HG3   GLU-  25  27.41 +/- 4.43   0.165% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.4:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.69 +/- 0.26  94.734% * 99.7000% (1.00  10.0 10.00   4.00 127.37) =  99.998%  kept
          QG    GLN   17 - HG3   GLU-  25  18.04 +/- 4.04   1.022% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   GLU-  25  22.54 +/- 7.06   3.465% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HG3   GLU-  25  20.50 +/- 4.59   0.353% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  21.66 +/- 1.82   0.207% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  21.99 +/- 2.14   0.219% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.15 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 127.4:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.59 +/- 0.22  89.801% * 98.6730% (1.00  10.0 10.00   3.86 127.37) =  99.987%  kept
          HB    ILE   19 - HG3   GLU-  25  13.96 +/- 2.67   5.967% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.005%
        T QB    GLU- 114 - HG3   GLU-  25  25.80 +/- 5.36   0.492% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - HG3   GLU-  25  19.11 +/- 4.47   1.751% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG3   GLU-  25  19.56 +/- 3.17   0.391% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   GLU-  25  11.56 +/- 1.14   1.208% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  30.06 +/- 5.89   0.185% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  26.71 +/- 2.98   0.100% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  26.49 +/- 3.32   0.105% *  0.0598% (0.61   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 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00  99.669% * 99.8559% (1.00  10.0 10.00   3.31 127.37) = 100.000%  kept
          HG2   GLN  116 - HG3   GLU-  25  29.81 +/- 6.46   0.114% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  22.96 +/- 4.23   0.083% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  30.35 +/- 6.39   0.075% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HG3   GLU-  25  26.01 +/- 6.49   0.059% *  0.0448% (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 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 = 34.7:
    * O T HB    THR   26 - HA    THR   26   3.02 +/- 0.06  99.190% * 99.8279% (1.00  10.0 10.00   3.25  34.75) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  20.55 +/- 3.78   0.526% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  27.59 +/- 5.56   0.284% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.61 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.7:
    * O T QG2   THR   26 - HA    THR   26   2.59 +/- 0.20  93.245% * 99.3101% (1.00  10.0 10.00   3.25  34.75) =  99.994%  kept
        T HB3   LEU   40 - HA    THR   26  17.51 +/- 2.71   0.714% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    THR   26  24.09 +/- 6.57   1.339% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    THR   26  14.31 +/- 3.10   0.748% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    THR   26  19.69 +/- 3.58   0.579% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    THR   26  19.39 +/- 4.03   0.635% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.51 +/- 6.22   1.372% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  24.04 +/- 6.46   0.822% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  22.75 +/- 5.02   0.389% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  24.91 +/- 4.32   0.157% *  0.0134% (0.14   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 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.7:
    * O T HA    THR   26 - HB    THR   26   3.02 +/- 0.06  83.251% * 99.6617% (1.00  10.0 10.00   3.25  34.75) =  99.994%  kept
          HA    ILE   19 - HB    THR   26   8.67 +/- 1.95   8.999% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   28 - HB    THR   26   7.80 +/- 0.20   4.866% *  0.0308% (0.31   1.0  1.00   0.02   0.42) =   0.002%
          HA    ALA   34 - HB    THR   26  12.60 +/- 1.76   1.602% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB    THR   26  20.20 +/- 6.55   0.548% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  27.09 +/- 4.76   0.199% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  23.39 +/- 4.37   0.339% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  24.76 +/- 2.93   0.196% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.47 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 = 34.7:
    * O T QG2   THR   26 - HB    THR   26   2.15 +/- 0.01  95.797% * 99.4369% (1.00  10.0 10.00   3.00  34.75) =  99.997%  kept
          HB2   LYS+  74 - HB    THR   26  12.61 +/- 3.80   0.855% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB    THR   26  18.26 +/- 3.47   0.465% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  23.71 +/- 6.41   0.390% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  22.21 +/- 4.85   0.209% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.66 +/- 6.73   1.273% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  18.52 +/- 3.36   0.309% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.61 +/- 2.78   0.275% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  23.65 +/- 6.16   0.317% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  23.83 +/- 4.36   0.110% *  0.0135% (0.14   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 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.24, residual support = 34.7:
    * O T HA    THR   26 - QG2   THR   26   2.59 +/- 0.20  69.529% * 97.5843% (1.00  10.0 10.00   3.25  34.75) =  99.878%  kept
          HA    ASN   28 - QG2   THR   26   6.65 +/- 0.16   4.481% *  0.9395% (0.31   1.0  1.00   0.62   0.42) =   0.062%
          HA    ILE   19 - QG2   THR   26   6.16 +/- 1.84  22.387% *  0.1663% (0.25   1.0  1.00   0.14   0.02) =   0.055%
        T HA    GLU- 114 - QG2   THR   26  22.54 +/- 3.63   0.139% *  0.8151% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QG2   THR   26   9.17 +/- 1.58   2.327% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU  115 - QG2   THR   26  19.40 +/- 3.32   0.234% *  0.3329% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   THR   26  16.42 +/- 5.49   0.735% *  0.0670% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG2   THR   26  20.97 +/- 2.25   0.168% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.7:
    * O T HB    THR   26 - QG2   THR   26   2.15 +/- 0.01  99.369% * 99.1149% (1.00  10.0 10.00   3.00  34.75) =  99.998%  kept
        T HA    SER  117 - QG2   THR   26  22.10 +/- 4.32   0.158% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - QG2   THR   26  15.75 +/- 2.84   0.473% *  0.0915% (0.92   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 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 = 107.1:
    * O T HB2   TRP   27 - HA    TRP   27   2.82 +/- 0.07  97.959% * 99.8554% (1.00  10.0 10.00   4.74 107.07) =  99.998%  kept
          HD2   PRO   93 - HA    TRP   27  20.89 +/- 3.65   1.098% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   77 - HA    TRP   27  16.18 +/- 4.24   0.943% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.1:
    * O T HB3   TRP   27 - HA    TRP   27   2.21 +/- 0.03  90.691% * 99.7166% (1.00  10.0 10.00   4.76 107.07) =  99.995%  kept
          QE    LYS+  99 - HA    TRP   27  14.85 +/- 5.26   7.437% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HB2   PHE   97 - HA    TRP   27  16.80 +/- 4.55   0.705% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    TRP   27  14.44 +/- 2.54   0.661% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  18.26 +/- 3.76   0.211% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  16.39 +/- 2.65   0.295% *  0.0485% (0.49   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 = 107.1:
    * O T HA    TRP   27 - HB2   TRP   27   2.82 +/- 0.07  98.836% * 99.7755% (1.00  10.0 10.00   4.74 107.07) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  20.23 +/- 3.65   0.511% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.58 +/- 4.09   0.477% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  25.31 +/- 3.03   0.175% *  0.0525% (0.53   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 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 = 107.1:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  97.108% * 99.7166% (1.00  10.0 10.00   4.97 107.07) =  99.998%  kept
          HB2   PHE   97 - HB2   TRP   27  17.00 +/- 5.38   0.843% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB2   TRP   27  15.82 +/- 5.45   1.535% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HB2   TRP   27  17.93 +/- 4.33   0.141% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.19 +/- 2.75   0.187% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  16.27 +/- 2.54   0.186% *  0.0222% (0.22   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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.1:
    * O T HA    TRP   27 - HB3   TRP   27   2.21 +/- 0.03  99.415% * 99.7755% (1.00  10.0 10.00   4.76 107.07) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  19.85 +/- 3.71   0.270% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.64 +/- 3.62   0.228% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  24.69 +/- 2.64   0.087% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.1:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.131% * 99.8554% (1.00  10.0 10.00   4.97 107.07) =  99.999%  kept
          HD2   PRO   93 - HB3   TRP   27  19.16 +/- 3.55   0.484% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HB3   TRP   27  14.30 +/- 4.34   0.385% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.46, residual support = 105.6:
    * O T HB2   ASN   28 - HA    ASN   28   3.01 +/- 0.12  89.039% * 99.2152% (1.00  10.0 10.00   4.46 105.59) =  99.982%  kept
        T HB2   ASN   35 - HA    ASN   28  11.50 +/- 1.51   1.996% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.010%
          QE    LYS+  33 - HA    ASN   28   8.82 +/- 1.27   4.299% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HA    ASN   28  21.49 +/- 8.32   2.367% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HA    ASN   28  17.77 +/- 3.69   0.929% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASN   28  19.78 +/- 3.48   0.406% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  16.14 +/- 3.56   0.964% *  0.0153% (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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 104.6:
    * O T HB3   ASN   28 - HA    ASN   28   2.66 +/- 0.14  89.313% * 86.9731% (1.00  10.0 10.00   4.19 105.59) =  98.894%  kept
          HG2   GLN   30 - HA    ASN   28   6.72 +/- 0.55   6.686% * 12.9726% (0.92   1.0  1.00   3.23  16.37) =   1.104%  kept
          QE    LYS+ 121 - HA    ASN   28  19.97 +/- 5.76   2.664% *  0.0390% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASN   28  20.43 +/- 6.39   1.337% *  0.0152% (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 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.43, residual support = 104.6:
    * O T HA    ASN   28 - HB2   ASN   28   3.01 +/- 0.12  62.406% * 92.9850% (1.00  10.0 10.00   4.46 105.59) =  98.930%  kept
          HA    ALA   34 - HB2   ASN   35   6.28 +/- 0.32   7.151% *  4.4706% (0.29   1.0  1.00   3.27  20.14) =   0.545%  kept
          HA    THR   26 - HB2   ASN   28   4.78 +/- 0.58  17.682% *  1.6957% (0.31   1.0  1.00   1.18   0.42) =   0.511%  kept
        T HA    ASN   28 - HB2   ASN   35  11.50 +/- 1.51   1.399% *  0.2892% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HA1   GLY  101 - HB2   ASN   35  13.34 +/- 7.05   6.351% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HB2   ASN   28  11.68 +/- 0.81   1.134% *  0.0880% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   28  17.63 +/- 6.35   0.721% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   ASN   28  23.47 +/- 4.97   0.440% *  0.0928% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HB2   ASN   28  28.24 +/- 7.66   0.340% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  26.95 +/- 5.14   0.191% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  25.38 +/- 4.17   0.179% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  22.81 +/- 4.02   0.286% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  21.77 +/- 6.36   0.392% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  24.58 +/- 6.43   0.380% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.65 +/- 1.04   0.577% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  26.06 +/- 3.73   0.149% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  27.49 +/- 3.89   0.099% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  27.03 +/- 4.42   0.124% *  0.0051% (0.05   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 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 = 5.42, residual support = 105.6:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  93.784% * 99.4888% (1.00  10.0 10.00   5.42 105.59) =  99.996%  kept
          QE    LYS+ 121 - HB2   ASN   28  21.81 +/- 6.45   3.602% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLN   30 - HB2   ASN   28   7.45 +/- 0.47   1.273% *  0.0918% (0.92   1.0  1.00   0.02  16.37) =   0.001%
        T HB3   ASN   28 - HB2   ASN   35  12.49 +/- 1.51   0.315% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   35  11.54 +/- 1.09   0.370% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  22.40 +/- 6.78   0.409% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  18.81 +/- 4.70   0.141% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  19.77 +/- 5.46   0.107% *  0.0054% (0.05   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 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.19, residual support = 105.5:
    * O T HA    ASN   28 - HB3   ASN   28   2.66 +/- 0.14  87.181% * 98.3426% (1.00  10.0 10.00   4.19 105.59) =  99.871%  kept
          HA    THR   26 - HB3   ASN   28   6.02 +/- 0.44   9.090% *  1.1913% (0.31   1.0  1.00   0.78   0.42) =   0.126%  kept
          HA    ALA   34 - HB3   ASN   28  11.45 +/- 0.56   1.148% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB3   ASN   28  16.78 +/- 6.51   1.020% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  23.30 +/- 4.89   0.424% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  28.10 +/- 7.85   0.479% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  26.68 +/- 5.03   0.185% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  25.59 +/- 4.15   0.166% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  22.00 +/- 6.24   0.307% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 105.6:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  98.169% * 99.2152% (1.00  10.0 10.00   5.42 105.59) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  12.49 +/- 1.51   0.329% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28   9.49 +/- 1.42   0.786% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  23.05 +/- 8.54   0.358% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  19.51 +/- 4.08   0.156% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  21.50 +/- 3.71   0.067% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  18.04 +/- 3.78   0.134% *  0.0153% (0.15   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 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 = 91.5:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.97 +/- 0.12  61.497% * 98.3644% (1.00  10.0 10.00   4.95  91.53) =  99.959%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.02 +/- 1.12   3.672% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T HB2   GLU-  29 - HA    GLN   32   8.30 +/- 0.44   2.854% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   PHE   72 - HA    GLU-  29  13.40 +/- 1.51   0.746% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.005%
          QG    GLU-  14 - HA    GLU-  29  15.06 +/- 3.57   6.344% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PHE   72 - HA    LYS+  33  12.31 +/- 0.95   0.905% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HA    GLN   32  13.29 +/- 6.05  10.786% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    GLU-  29  16.43 +/- 6.14   1.124% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HA    GLU-  29  23.54 +/- 4.92   0.308% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  15.10 +/- 2.68   0.921% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.15 +/- 4.22   0.248% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  13.61 +/- 5.98   1.527% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  19.53 +/- 3.78   0.301% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.57 +/- 3.23   1.729% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.91 +/- 3.40   0.118% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  12.39 +/- 1.98   1.115% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.23 +/- 2.83   1.072% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  12.32 +/- 2.87   1.461% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.74 +/- 1.71   0.271% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  25.80 +/- 4.39   0.132% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  22.68 +/- 4.16   0.204% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  22.44 +/- 4.58   0.246% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.22 +/- 3.55   0.249% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.48 +/- 2.10   0.182% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.84 +/- 2.26   0.636% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.42 +/- 2.59   0.196% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  28.56 +/- 3.11   0.088% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.47 +/- 2.67   0.229% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.02 +/- 3.16   0.100% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.42 +/- 1.96   0.296% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  19.31 +/- 1.37   0.240% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  26.31 +/- 3.98   0.115% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  28.08 +/- 3.59   0.088% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.18 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 5.14, residual support = 90.7:
      O   HB3   GLU-  29 - HA    GLU-  29   2.66 +/- 0.15  40.144% * 43.8638% (0.80  10.0  1.00   5.19  91.53) =  62.985%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.49 +/- 0.19  18.419% * 54.7793% (1.00  10.0 10.00   5.12  91.53) =  36.089%  kept
          QB    GLU-  36 - HA    LYS+  33   3.41 +/- 0.96  26.376% *  0.9689% (0.13   1.0  1.00   2.65   0.02) =   0.914%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.42 +/- 1.26   1.109% *  0.1502% (0.27   1.0 10.00   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HA    LYS+  33   7.22 +/- 1.19   2.376% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   9.42 +/- 1.15   1.021% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.30 +/- 0.73   3.691% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    LYS+  33   8.42 +/- 1.00   1.749% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    GLU-  29  14.02 +/- 1.91   0.446% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.71 +/- 0.38   1.655% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    GLN   32   9.85 +/- 1.64   1.612% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   9.26 +/- 0.53   0.996% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  20.65 +/- 4.40   0.139% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  28.99 +/- 4.47   0.039% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.96 +/- 2.77   0.076% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  21.82 +/- 2.88   0.091% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  29.63 +/- 4.08   0.034% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  31.53 +/- 3.79   0.028% *  0.0142% (0.26   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 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.69, residual support = 91.5:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.46 +/- 0.52  87.494% * 99.0116% (1.00  10.0 10.00   4.69  91.53) =  99.980%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.52 +/- 1.30   3.399% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   GLU-  29 - HA    GLN   32   8.02 +/- 0.82   3.002% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.008%
          HB3   ASP-  86 - HA    GLU-  29  25.51 +/- 8.19   0.460% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    GLU-  29  22.25 +/- 4.70   0.423% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  21.41 +/- 3.18   0.277% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  25.26 +/- 4.80   0.195% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  18.61 +/- 4.31   0.443% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  25.78 +/- 7.57   0.369% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  21.75 +/- 4.82   0.542% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.37 +/- 3.05   0.375% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.56 +/- 3.07   0.214% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  27.77 +/- 7.10   0.197% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  21.84 +/- 3.93   0.303% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  17.08 +/- 4.57   0.917% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.95 +/- 2.08   0.205% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  24.64 +/- 4.90   0.192% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  18.78 +/- 3.02   0.427% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.54 +/- 4.66   0.139% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.24 +/- 3.10   0.249% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.48 +/- 1.76   0.178% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.09 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.95, residual support = 91.5:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.97 +/- 0.12  85.576% * 98.1508% (1.00  10.0 10.00   4.95  91.53) =  99.918%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.02 +/- 1.12   5.052% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.056%
        T HA    GLN   32 - HB2   GLU-  29   8.30 +/- 0.44   3.963% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.021%
          HA    VAL   18 - HB2   GLU-  29  12.63 +/- 2.42   3.371% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   SER   82 - HB2   GLU-  29  23.91 +/- 8.29   0.738% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  16.27 +/- 1.91   0.622% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB2   GLU-  29  25.71 +/- 5.02   0.260% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  27.01 +/- 3.57   0.161% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  28.82 +/- 5.76   0.151% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  29.57 +/- 2.88   0.106% *  0.0274% (0.28   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 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 = 4.48, residual support = 91.5:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.642% * 44.1051% (0.80  10.0  1.00   4.53  91.53) =  64.153%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.30 +/- 0.07  30.712% * 55.0806% (1.00  10.0 10.00   4.40  91.53) =  35.846%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  20.10 +/- 5.06   0.079% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  28.84 +/- 4.49   0.021% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.39 +/- 1.11   0.367% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  15.15 +/- 2.15   0.178% *  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 = 91.5:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.84 +/- 0.14  97.826% * 99.6674% (1.00  10.0 10.00   4.15  91.53) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  25.71 +/- 8.03   0.653% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB2   GLU-  29  21.87 +/- 4.33   0.374% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  21.39 +/- 2.98   0.279% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  25.21 +/- 4.72   0.224% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  19.29 +/- 3.83   0.409% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  22.89 +/- 2.85   0.235% *  0.0249% (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 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.69, residual support = 91.5:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.46 +/- 0.52  90.651% * 98.1508% (1.00  10.0 10.00   4.69  91.53) =  99.945%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.52 +/- 1.30   3.523% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.037%
        T HA    GLN   32 - HG2   GLU-  29   8.02 +/- 0.82   3.111% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.015%
          HA    VAL   18 - HG2   GLU-  29  14.66 +/- 2.98   1.187% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  24.91 +/- 8.75   0.562% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   GLU-  29  18.04 +/- 2.03   0.360% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  27.14 +/- 5.25   0.203% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  28.48 +/- 3.85   0.175% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  29.87 +/- 6.20   0.127% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  31.03 +/- 3.12   0.100% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 91.5:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.84 +/- 0.14  90.246% * 99.5124% (1.00  10.0 10.00   4.15  91.53) =  99.996%  kept
          QG    GLU-  14 - HG2   GLU-  29  15.59 +/- 3.84   4.967% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HG2   GLU-  29  18.12 +/- 6.41   1.193% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  15.84 +/- 3.27   1.432% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  15.12 +/- 1.52   0.666% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  25.00 +/- 5.10   0.295% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  23.85 +/- 4.59   0.264% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  20.58 +/- 4.24   0.354% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  28.12 +/- 3.46   0.135% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  20.26 +/- 1.80   0.278% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  26.75 +/- 4.66   0.170% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.32 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 4.16, residual support = 91.5:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  77.533% * 55.3193% (1.00  10.0 10.00   4.11  91.53) =  81.598%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.76 +/- 0.26  21.834% * 44.2962% (0.80  10.0 10.00   4.39  91.53) =  18.400%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.72 +/- 1.49   0.414% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HG2   GLU-  29  16.00 +/- 1.86   0.131% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  21.54 +/- 5.02   0.067% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  30.04 +/- 4.76   0.021% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.938, support = 4.89, residual support = 159.9:
    * O T HB2   GLN   30 - HA    GLN   30   2.68 +/- 0.16  47.902% * 53.1933% (1.00  10.0 10.00   4.80 159.91) =  53.005%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.71 +/- 0.51  48.959% * 46.1414% (0.87  10.0 10.00   4.99 159.91) =  46.992%  kept
        T HB2   PRO   93 - HA    GLN   30  21.13 +/- 3.48   0.172% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLN   30  15.20 +/- 5.73   0.712% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    GLN   30  12.14 +/- 2.24   0.879% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.80 +/- 2.66   0.292% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  11.60 +/- 2.03   0.777% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  26.90 +/- 3.67   0.061% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  22.19 +/- 3.85   0.118% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  24.13 +/- 1.32   0.065% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.80 +/- 3.33   0.063% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.986, support = 5.19, residual support = 157.0:
    * O T HB3   GLN   30 - HA    GLN   30   2.96 +/- 0.10  50.946% * 97.5222% (1.00  10.0 10.00   5.26 159.91) =  98.181%  kept
          QB    LYS+  33 - HA    GLN   30   3.19 +/- 0.80  46.583% *  1.9725% (0.25   1.0  1.00   1.62   0.53) =   1.816%  kept
          HB3   LYS+  38 - HA    GLN   30  12.08 +/- 1.76   1.031% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - HA    GLN   30  22.74 +/- 4.24   0.217% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.88 +/- 2.98   0.110% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.07 +/- 2.76   0.115% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  21.66 +/- 4.83   0.227% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  19.10 +/- 2.04   0.191% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  20.42 +/- 3.63   0.217% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.64 +/- 3.28   0.190% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  28.03 +/- 4.26   0.084% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.20 +/- 2.79   0.089% *  0.0150% (0.15   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 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 159.3:
    * O T HG2   GLN   30 - HA    GLN   30   2.96 +/- 0.51  90.828% * 93.9743% (1.00  10.0 10.00   5.78 159.91) =  99.556%  kept
          HB3   ASN   28 - HA    GLN   30   7.61 +/- 0.13   6.395% *  5.9291% (0.92   1.0  1.00   1.37  16.37) =   0.442%  kept
          QE    LYS+ 121 - HA    GLN   30  19.22 +/- 4.55   1.651% *  0.0646% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    GLN   30  19.08 +/- 4.88   1.127% *  0.0321% (0.34   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 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 159.9:
    * O T HA    GLN   30 - HB2   GLN   30   2.68 +/- 0.16  89.557% * 99.6678% (1.00  10.0 10.00   4.80 159.91) =  99.997%  kept
          HB    THR   39 - HB2   GLN   30   9.56 +/- 2.94   4.130% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB2   GLN   30   8.70 +/- 1.96   3.808% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB2   GLN   30  21.35 +/- 7.42   1.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   GLN   30  14.34 +/- 2.35   0.769% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  22.19 +/- 2.42   0.202% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  27.55 +/- 2.41   0.095% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.54 +/- 2.94   0.219% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  24.25 +/- 5.01   0.221% *  0.0154% (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 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 = 159.9:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  94.229% * 98.9590% (1.00  10.0 10.00   5.05 159.91) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   5.14 +/- 0.77   4.658% *  0.0247% (0.25   1.0  1.00   0.02   0.53) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  17.45 +/- 2.07   0.105% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  12.17 +/- 1.81   0.383% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  20.97 +/- 3.70   0.096% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.14 +/- 2.46   0.043% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.67 +/- 3.21   0.066% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.05 +/- 2.62   0.055% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  19.93 +/- 4.98   0.114% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  18.05 +/- 3.24   0.122% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  21.12 +/- 3.64   0.085% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  25.81 +/- 4.48   0.043% *  0.0305% (0.31   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 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 159.5:
    * O T HG2   GLN   30 - HB2   GLN   30   2.80 +/- 0.23  94.401% * 94.5382% (1.00  10.0 10.00   5.61 159.91) =  99.740%  kept
          HB3   ASN   28 - HB2   GLN   30   8.05 +/- 0.53   4.321% *  5.3646% (0.92   1.0  1.00   1.23  16.37) =   0.259%  kept
          QE    LYS+ 121 - HB2   GLN   30  18.31 +/- 4.17   0.623% *  0.0649% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  17.86 +/- 4.73   0.655% *  0.0322% (0.34   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 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 159.9:
    * O T HA    GLN   30 - HB3   GLN   30   2.96 +/- 0.10  89.997% * 99.5115% (1.00  10.0 10.00   5.26 159.91) =  99.996%  kept
          HB    THR   39 - HB3   GLN   30  10.59 +/- 2.68   3.674% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  20.78 +/- 7.42   1.049% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HB3   GLN   30  21.65 +/- 3.20   0.315% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB3   GLN   30   9.56 +/- 1.59   3.347% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  14.99 +/- 2.39   0.937% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  22.07 +/- 2.49   0.283% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  27.37 +/- 2.49   0.132% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  23.83 +/- 4.72   0.265% *  0.0154% (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 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.974, support = 5.09, residual support = 159.9:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  77.250% * 53.1733% (1.00  10.0 10.00   5.05 159.91) =  80.752%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.76 +/- 0.24  21.226% * 46.1240% (0.87  10.0  1.00   5.24 159.91) =  19.246%  kept
          HB3   GLU- 100 - HB3   GLN   30  15.30 +/- 5.35   0.362% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  24.67 +/- 3.23   0.034% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.77 +/- 3.41   0.214% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  20.84 +/- 3.78   0.080% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.50 +/- 2.65   0.158% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.19 +/- 1.89   0.347% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.58 +/- 1.77   0.254% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  22.04 +/- 1.59   0.041% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  24.97 +/- 3.71   0.034% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.04, residual support = 159.4:
    * O T HG2   GLN   30 - HB3   GLN   30   2.59 +/- 0.31  92.829% * 93.9876% (1.00  10.0 10.00   6.06 159.91) =  99.653%  kept
          HB3   ASN   28 - HB3   GLN   30   6.99 +/- 0.53   5.121% *  5.9158% (0.92   1.0  1.00   1.36  16.37) =   0.346%  kept
          HB3   HIS  122 - HB3   GLN   30  18.29 +/- 4.95   1.416% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HB3   GLN   30  18.59 +/- 4.64   0.634% *  0.0646% (0.69   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 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 159.9:
    * O T HA    GLN   30 - HG2   GLN   30   2.96 +/- 0.51  88.307% * 99.6678% (1.00  10.0 10.00   5.78 159.91) =  99.997%  kept
          HB    THR   39 - HG2   GLN   30  10.92 +/- 3.27   4.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HG2   GLN   30   9.61 +/- 1.84   4.125% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HG2   GLN   30  13.85 +/- 2.69   1.896% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  22.14 +/- 7.56   0.722% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  23.12 +/- 2.39   0.244% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  28.41 +/- 2.36   0.127% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.37 +/- 3.49   0.359% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  25.29 +/- 4.53   0.218% *  0.0154% (0.15   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 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.898, support = 6.35, residual support = 159.9:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  77.937% * 46.1414% (0.87  10.0 10.00   6.58 159.91) =  76.711%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.80 +/- 0.23  20.523% * 53.1933% (1.00  10.0 10.00   5.61 159.91) =  23.287%  kept
        T HB2   PRO   93 - HG2   GLN   30  19.95 +/- 3.40   0.128% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HG2   GLN   30  16.69 +/- 5.98   0.335% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  11.11 +/- 1.79   0.431% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.53 +/- 2.60   0.154% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  21.60 +/- 4.05   0.073% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.27 +/- 3.78   0.029% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.69 +/- 1.79   0.324% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  23.67 +/- 1.86   0.034% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.50 +/- 3.35   0.031% *  0.0461% (0.87   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 159.9:
    * O T HB3   GLN   30 - HG2   GLN   30   2.59 +/- 0.31  84.274% * 99.4599% (1.00  10.0 10.00   6.06 159.91) =  99.994%  kept
          QB    LYS+  33 - HG2   GLN   30   5.44 +/- 0.67  12.726% *  0.0248% (0.25   1.0  1.00   0.02   0.53) =   0.004%
          HB3   LYS+  38 - HG2   GLN   30  13.88 +/- 1.85   0.689% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HG2   GLN   30  21.69 +/- 4.31   0.362% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  23.72 +/- 3.05   0.209% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  23.11 +/- 2.91   0.158% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  20.53 +/- 5.09   0.300% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.98 +/- 2.48   0.243% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  20.38 +/- 3.79   0.456% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.82 +/- 4.06   0.330% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  26.69 +/- 4.03   0.118% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.85 +/- 2.90   0.134% *  0.0153% (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 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 = 5.99, residual support = 231.7:
    * O T HB2   LEU   31 - HA    LEU   31   2.98 +/- 0.06  80.191% * 97.3820% (1.00  10.0 10.00   6.00 231.96) =  99.885%  kept
          HB2   LEU   63 - HA    LEU   31  14.50 +/- 3.76   4.037% *  1.9701% (0.90   1.0  1.00   0.45   0.27) =   0.102%  kept
          HG2   LYS+  99 - HA    LEU   31  12.97 +/- 4.75   3.889% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HA    LEU   31   9.66 +/- 1.57   3.781% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    LEU   31  11.02 +/- 4.28   4.025% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HA    LEU   31  14.47 +/- 2.19   0.913% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   31  19.41 +/- 4.99   0.702% *  0.0940% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   31  19.68 +/- 4.82   0.671% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   31  18.77 +/- 3.28   0.743% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  18.91 +/- 4.00   0.520% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  24.99 +/- 3.99   0.189% *  0.0965% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  22.08 +/- 4.64   0.340% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.0:
    * O T HB3   LEU   31 - HA    LEU   31   2.37 +/- 0.13  95.839% * 99.6763% (1.00  10.0 10.00   6.00 231.96) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.14 +/- 1.24   1.139% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.61 +/- 0.69   1.273% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LEU   31  19.14 +/- 3.99   0.315% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  24.32 +/- 4.70   0.197% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  19.55 +/- 5.42   0.339% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  15.28 +/- 2.67   0.454% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  15.77 +/- 2.62   0.444% *  0.0135% (0.14   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 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.96, residual support = 229.7:
    * O T HG    LEU   31 - HA    LEU   31   3.02 +/- 0.52  61.623% * 94.0013% (0.80  10.0 10.00   6.01 231.96) =  99.013%  kept
          QD2   LEU   73 - HA    LEU   31   6.77 +/- 2.41   9.826% *  5.7858% (0.92   1.0  1.00   1.07   1.60) =   0.972%  kept
          QG1   VAL   41 - HA    LEU   31   6.00 +/- 3.27  27.463% *  0.0293% (0.25   1.0  1.00   0.02   0.02) =   0.014%
          QD1   ILE   56 - HA    LEU   31  17.13 +/- 2.22   0.500% *  0.1171% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HA    LEU   31  19.45 +/- 5.41   0.588% *  0.0665% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 232.0:
    *   T QD1   LEU   31 - HA    LEU   31   3.73 +/- 0.24 100.000% *100.0000% (1.00 10.00   4.85 231.96) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.28 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.9:
    *   T QD2   LEU   31 - HA    LEU   31   2.87 +/- 0.59  85.122% * 99.6345% (1.00 10.00   5.74 231.96) =  99.964%  kept
        T QG2   VAL   43 - HA    LEU   31   9.46 +/- 2.99  11.538% *  0.2484% (0.25 10.00   0.02   0.02) =   0.034%
          QG2   VAL   83 - HA    LEU   31  16.73 +/- 5.05   2.272% *  0.0723% (0.73  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HA    LEU   31  18.60 +/- 4.63   1.068% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.22 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 232.0:
    * O T HA    LEU   31 - HB2   LEU   31   2.98 +/- 0.06 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.96) = 100.000%  kept
    Distance limit 3.66 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 = 232.0:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.387% * 99.6763% (1.00  10.0 10.00   6.00 231.96) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.75 +/- 0.54   0.594% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.01 +/- 1.38   0.371% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  20.86 +/- 4.65   0.145% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  25.62 +/- 4.99   0.066% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  21.28 +/- 6.12   0.123% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  16.46 +/- 3.21   0.166% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  16.92 +/- 3.02   0.148% *  0.0135% (0.14   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 231.9:
    * O T HG    LEU   31 - HB2   LEU   31   2.70 +/- 0.27  84.869% * 99.6594% (0.80  10.0 10.00   6.02 231.96) =  99.989%  kept
          QD2   LEU   73 - HB2   LEU   31   8.00 +/- 2.39   5.098% *  0.1149% (0.92   1.0  1.00   0.02   1.60) =   0.007%
          QG1   VAL   41 - HB2   LEU   31   8.02 +/- 3.42   9.282% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB2   LEU   31  18.23 +/- 2.67   0.391% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   LEU   31  21.18 +/- 6.10   0.360% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 232.0:
    * O T QD1   LEU   31 - HB2   LEU   31   2.49 +/- 0.23 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.96) = 100.000%  kept
    Distance limit 3.39 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 = 231.9:
    * O T QD2   LEU   31 - HB2   LEU   31   2.72 +/- 0.54  94.510% * 99.6345% (1.00  10.0 10.00   5.75 231.96) =  99.989%  kept
        T QG2   VAL   43 - HB2   LEU   31  10.48 +/- 3.49   3.678% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.010%
          QG2   VAL   83 - HB2   LEU   31  17.06 +/- 5.25   1.265% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HB2   LEU   31  19.00 +/- 4.68   0.548% *  0.0447% (0.45   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 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 232.0:
    * O T HA    LEU   31 - HB3   LEU   31   2.37 +/- 0.13 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.96) = 100.000%  kept
    Distance limit 3.35 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 = 231.9:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  91.367% * 99.2507% (1.00  10.0 10.00   6.00 231.96) =  99.993%  kept
          HG2   LYS+  99 - HB3   LEU   31  13.35 +/- 4.81   3.261% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - HB3   LEU   31  15.38 +/- 4.45   2.722% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.003%
          HG    LEU   98 - HB3   LEU   31  11.05 +/- 4.91   1.146% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HB3   LEU   31  10.86 +/- 1.72   0.586% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.82 +/- 2.67   0.224% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  19.33 +/- 5.08   0.153% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  20.46 +/- 5.18   0.115% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  18.94 +/- 3.59   0.158% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  18.55 +/- 4.31   0.133% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  24.89 +/- 4.51   0.044% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  21.57 +/- 4.92   0.092% *  0.0372% (0.38   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 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.5:
    * O T HG    LEU   31 - HB3   LEU   31   2.87 +/- 0.17  71.993% * 92.8409% (0.80  10.0 10.00   6.01 231.96) =  99.349%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.50 +/- 2.65   6.729% *  6.3581% (0.92   1.0 10.00   0.12   1.60) =   0.636%  kept
          QG1   VAL   41 - HB3   LEU   31   7.04 +/- 3.45  20.202% *  0.0289% (0.25   1.0  1.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 121 - HB3   LEU   31  20.16 +/- 6.07   0.583% *  0.6564% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - HB3   LEU   31  17.33 +/- 2.68   0.494% *  0.1157% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 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 = 232.0:
    * O T QD1   LEU   31 - HB3   LEU   31   2.21 +/- 0.21 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.96) = 100.000%  kept
    Distance limit 3.28 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 = 231.9:
    * O T QD2   LEU   31 - HB3   LEU   31   2.76 +/- 0.35  89.056% * 99.6345% (1.00  10.0 10.00   5.75 231.96) =  99.975%  kept
        T QG2   VAL   43 - HB3   LEU   31   9.57 +/- 3.49   8.130% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.023%
          QG2   VAL   83 - HB3   LEU   31  16.49 +/- 5.04   1.901% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HB3   LEU   31  18.27 +/- 4.65   0.913% *  0.0447% (0.45   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 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.01, residual support = 232.0:
    * O T HA    LEU   31 - HG    LEU   31   3.02 +/- 0.52 100.000% *100.0000% (0.80  10.0 10.00   6.01 231.96) = 100.000%  kept
    Distance limit 4.05 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 = 6.02, residual support = 231.9:
    * O T HB2   LEU   31 - HG    LEU   31   2.70 +/- 0.27  86.757% * 99.2507% (0.80  10.0 10.00   6.02 231.96) =  99.989%  kept
          HB2   LEU   63 - HG    LEU   31  15.01 +/- 4.08   2.510% *  0.0890% (0.72   1.0  1.00   0.02   0.27) =   0.003%
          HG2   LYS+  38 - HG    LEU   31  12.25 +/- 1.93   1.937% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HG    LEU   31  11.64 +/- 4.30   2.654% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HG    LEU   31  14.24 +/- 4.66   1.621% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HG    LEU   31  18.26 +/- 6.05   1.258% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  14.20 +/- 2.39   0.981% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   31  17.82 +/- 4.84   0.707% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  20.64 +/- 4.94   0.372% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.36 +/- 3.69   0.634% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.85 +/- 4.13   0.173% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  21.10 +/- 5.17   0.394% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.9:
    * O T HB3   LEU   31 - HG    LEU   31   2.87 +/- 0.17  90.175% * 99.4283% (0.80  10.0 10.00   6.01 231.96) =  99.993%  kept
        T HG2   LYS+ 121 - HG    LEU   31  20.49 +/- 5.83   0.768% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HG    LEU   31   8.64 +/- 0.82   4.055% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  10.45 +/- 1.28   2.388% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HG    LEU   31  19.65 +/- 4.49   0.726% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG    LEU   31  24.37 +/- 4.76   0.283% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.46 +/- 3.12   0.868% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.87 +/- 2.96   0.738% *  0.0135% (0.11   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 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 = 4.99, residual support = 232.0:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.99 231.96) = 100.000%  kept
    Distance limit 3.32 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 = 5.89, residual support = 231.9:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  92.347% * 99.6345% (0.80  10.0 10.00   5.90 231.96) =  99.983%  kept
        T QG2   VAL   43 - HG    LEU   31   9.17 +/- 3.60   5.978% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.016%
          QG2   VAL   83 - HG    LEU   31  15.81 +/- 5.80   1.260% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   89 - HG    LEU   31  17.85 +/- 5.09   0.415% *  0.0447% (0.36   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 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 232.0:
    *   T HA    LEU   31 - QD1   LEU   31   3.73 +/- 0.24 100.000% *100.0000% (1.00 10.00   4.85 231.96) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.9:
    * O T HB2   LEU   31 - QD1   LEU   31   2.49 +/- 0.23  75.979% * 99.2507% (1.00  10.0 10.00   4.86 231.96) =  99.977%  kept
          HB2   LEU   63 - QD1   LEU   31  12.77 +/- 3.74   6.691% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.008%
          HG2   LYS+  99 - QD1   LEU   31  12.02 +/- 3.99   4.254% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - QD1   LEU   31   9.46 +/- 4.24   4.927% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD1   LEU   31  14.97 +/- 5.03   1.547% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD1   LEU   31  11.02 +/- 1.71   1.734% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD1   LEU   31  11.68 +/- 2.29   1.267% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31  14.34 +/- 4.23   1.176% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   31  14.96 +/- 3.30   1.063% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  16.87 +/- 4.56   0.767% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.09 +/- 3.92   0.249% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  17.44 +/- 4.40   0.345% *  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 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.9:
    * O T HB3   LEU   31 - QD1   LEU   31   2.21 +/- 0.21  90.648% * 99.6763% (1.00  10.0 10.00   4.86 231.96) =  99.995%  kept
          QG1   VAL   24 - QD1   LEU   31   7.10 +/- 0.67   3.625% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - QD1   LEU   31  16.39 +/- 4.12   1.393% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - QD1   LEU   31   9.73 +/- 1.06   1.384% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   LEU   31  17.21 +/- 5.28   0.888% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.52 +/- 3.14   0.989% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  19.94 +/- 4.23   0.287% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.84 +/- 2.94   0.785% *  0.0135% (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 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.99, residual support = 231.8:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  83.102% * 99.0969% (0.80  10.0 10.00   4.99 231.96) =  99.941%  kept
          QD2   LEU   73 - QD1   LEU   31   5.97 +/- 2.25   6.650% *  0.6787% (0.92   1.0  1.00   0.12   1.60) =   0.055%
          QG1   VAL   41 - QD1   LEU   31   6.83 +/- 2.91   9.277% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - QD1   LEU   31  13.95 +/- 2.46   0.425% *  0.1235% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD1   LEU   31  17.15 +/- 5.32   0.545% *  0.0701% (0.57   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 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 = 231.8:
    * O T QD2   LEU   31 - QD1   LEU   31   2.04 +/- 0.08  81.858% * 99.6345% (1.00  10.0 10.00   4.62 231.96) =  99.951%  kept
        T QG2   VAL   43 - QD1   LEU   31   7.38 +/- 3.53  15.234% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.046%
          QG2   VAL   83 - QD1   LEU   31  12.73 +/- 4.91   2.200% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - QD1   LEU   31  14.25 +/- 4.39   0.709% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.9:
    *   T HA    LEU   31 - QD2   LEU   31   2.87 +/- 0.59  88.024% * 99.9324% (1.00 10.00   5.74 231.96) =  99.991%  kept
        T HA    LEU   31 - QG2   VAL   43   9.46 +/- 2.99  11.976% *  0.0676% (0.07 10.00   0.02   0.02) =   0.009%
    Distance limit 3.08 A violated in 0 structures by 0.17 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 231.6:
    * O T HB2   LEU   31 - QD2   LEU   31   2.72 +/- 0.54  42.861% * 97.8765% (1.00  10.0 10.00   5.75 231.96) =  99.841%  kept
          HB3   ASP-  44 - QG2   VAL   43   5.75 +/- 0.60   5.465% *  0.9115% (0.05   1.0  1.00   3.44  16.39) =   0.119%  kept
          HB2   LEU   63 - QD2   LEU   31  12.28 +/- 3.19   6.047% *  0.0878% (0.90   1.0  1.00   0.02   0.27) =   0.013%
        T QB    ALA   84 - QD2   LEU   31  14.37 +/- 3.62   0.546% *  0.4024% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          HG2   LYS+  99 - QD2   LEU   31  12.15 +/- 4.04   2.660% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - QD2   LEU   31   9.72 +/- 3.70   3.410% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU   31 - QG2   VAL   43  10.48 +/- 3.49   1.472% *  0.0662% (0.07   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QD2   LEU   31  11.29 +/- 1.95   1.080% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD2   LEU   31  10.54 +/- 1.59   1.083% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD2   LEU   31  14.56 +/- 4.77   0.745% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QG2   VAL   43   9.23 +/- 2.23   7.452% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QG2   VAL   43   9.71 +/- 3.16   5.092% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   31  17.26 +/- 4.16   0.489% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QG2   VAL   43   8.26 +/- 2.38  10.450% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   7.35 +/- 1.58   6.086% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD2   LEU   31  14.85 +/- 2.98   0.512% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.51 +/- 3.54   0.168% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  17.14 +/- 3.98   0.279% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   9.81 +/- 2.23   1.616% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.25 +/- 1.25   0.630% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  14.80 +/- 2.43   0.355% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  13.64 +/- 2.05   0.437% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  11.78 +/- 2.73   0.782% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.15 +/- 2.16   0.283% *  0.0043% (0.04   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 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.9:
    * O T HB3   LEU   31 - QD2   LEU   31   2.76 +/- 0.35  64.180% * 99.5873% (1.00  10.0 10.00   5.75 231.96) =  99.984%  kept
        T HB3   LEU   31 - QG2   VAL   43   9.57 +/- 3.49   5.867% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   24 - QD2   LEU   31   6.51 +/- 0.37   5.666% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - QD2   LEU   31   8.43 +/- 1.01   3.537% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - QD2   LEU   31  16.19 +/- 3.69   0.540% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - QD2   LEU   31  20.02 +/- 3.86   0.314% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.76 +/- 2.87   0.976% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   9.81 +/- 3.14   4.523% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.14 +/- 5.19   0.487% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.06 +/- 2.65   0.879% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43  10.49 +/- 3.11   2.124% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.64 +/- 2.36   0.990% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.14 +/- 1.28   4.159% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.17 +/- 1.39   4.462% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  14.89 +/- 2.89   0.799% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.43 +/- 3.35   0.498% *  0.0019% (0.02   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 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.798, support = 5.87, residual support = 231.0:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  56.268% * 97.8034% (0.80  10.0 10.00   5.90 231.96) =  99.587%  kept
          QG1   VAL   41 - QD2   LEU   31   6.15 +/- 2.75  13.697% *  0.9684% (0.25   1.0  1.00   0.64   0.02) =   0.240%  kept
          QD2   LEU   73 - QD2   LEU   31   4.93 +/- 2.03   7.505% *  0.6698% (0.92   1.0  1.00   0.12   1.60) =   0.091%
          QD2   LEU   73 - QG2   VAL   43   4.94 +/- 2.37  14.967% *  0.2862% (0.06   1.0  1.00   0.75   6.40) =   0.078%
        T HG    LEU   31 - QG2   VAL   43   9.17 +/- 3.60   3.024% *  0.0662% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - QD2   LEU   31  13.94 +/- 2.17   0.280% *  0.1219% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD2   LEU   31  17.08 +/- 5.23   0.361% *  0.0692% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43   9.35 +/- 1.66   0.985% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.38 +/- 1.00   2.675% *  0.0021% (0.02   1.0  1.00   0.02   1.34) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  15.37 +/- 3.49   0.239% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.9:
    * O T QD1   LEU   31 - QD2   LEU   31   2.04 +/- 0.08  84.272% * 99.9324% (1.00  10.0 10.00   4.62 231.96) =  99.987%  kept
        T QD1   LEU   31 - QG2   VAL   43   7.38 +/- 3.53  15.728% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.013%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.685, support = 3.22, residual support = 38.1:
    * O T QB    GLN   32 - HA    GLN   32   2.45 +/- 0.11  48.801% * 47.5953% (0.69  10.0 10.00   3.00  44.29) =  79.243%  kept
        T QB    GLN   32 - HA    LYS+  33   4.06 +/- 0.21  11.149% * 48.9788% (0.71   1.0 10.00   4.50  16.14) =  18.630%  kept
        T QB    GLN   32 - HA    GLU-  29   3.47 +/- 0.87  24.289% *  2.5551% (0.45   1.0 10.00   0.16   0.02) =   2.117%  kept
          HG3   GLU- 100 - HA    GLN   32  13.35 +/- 6.05   2.632% *  0.0381% (0.55   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  14 - HA    GLU-  29  16.29 +/- 4.07   9.322% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    LYS+  33  13.79 +/- 5.90   0.728% *  0.0392% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.81 +/- 0.37   0.574% *  0.0307% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    GLU-  29  16.49 +/- 5.93   0.464% *  0.0248% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.57 +/- 0.53   0.233% *  0.0472% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.23 +/- 0.37   0.169% *  0.0485% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  18.47 +/- 3.33   0.171% *  0.0452% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  19.75 +/- 3.89   0.163% *  0.0439% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  25.32 +/- 4.49   0.074% *  0.0942% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  25.91 +/- 4.02   0.058% *  0.0969% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  25.75 +/- 4.86   0.070% *  0.0613% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  16.89 +/- 3.46   0.534% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.15 +/- 3.15   0.393% *  0.0076% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.59 +/- 3.31   0.100% *  0.0286% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  31.47 +/- 3.66   0.027% *  0.0942% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  32.90 +/- 2.91   0.022% *  0.0969% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  31.57 +/- 3.17   0.027% *  0.0613% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 0.688, support = 3.24, residual support = 38.7:
    * O T QG    GLN   32 - HA    GLN   32   2.35 +/- 0.37  62.976% * 47.6447% (0.69  10.0 10.00   3.00  44.29) =  80.773%  kept
        T QG    GLN   32 - HA    LYS+  33   4.50 +/- 0.74  13.669% * 49.0297% (0.71   1.0 10.00   4.50  16.14) =  18.042%  kept
        T QG    GLN   32 - HA    GLU-  29   4.84 +/- 0.86  16.972% *  2.5578% (0.45   1.0 10.00   0.16   0.02) =   1.169%  kept
        T HB2   GLU- 100 - HA    GLN   32  13.76 +/- 5.67   3.040% *  0.1325% (0.19   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   GLU- 100 - HA    GLU-  29  16.96 +/- 5.57   1.248% *  0.0862% (0.12   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    LYS+  33  14.43 +/- 5.36   0.528% *  0.1363% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLN  116 - HA    LYS+  33  27.24 +/- 4.04   0.065% *  0.0970% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  19.70 +/- 2.65   0.133% *  0.0413% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  18.62 +/- 4.29   0.185% *  0.0269% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  20.66 +/- 2.51   0.115% *  0.0425% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  27.74 +/- 4.82   0.072% *  0.0614% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.24 +/- 3.10   0.122% *  0.0289% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.48 +/- 1.76   0.083% *  0.0297% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  22.56 +/- 3.07   0.102% *  0.0188% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  24.64 +/- 4.90   0.141% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  21.37 +/- 3.05   0.099% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  25.54 +/- 4.66   0.095% *  0.0109% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  26.67 +/- 4.47   0.090% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.95 +/- 2.08   0.072% *  0.0109% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  25.26 +/- 4.80   0.099% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  21.41 +/- 3.18   0.094% *  0.0069% (0.10   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 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.71, support = 3.18, residual support = 37.0:
    * O T HA    GLN   32 - QB    GLN   32   2.45 +/- 0.11  57.329% * 44.7667% (0.69  10.0 10.00   3.00  44.29) =  76.503%  kept
        T HA    LYS+  33 - QB    GLN   32   4.06 +/- 0.21  13.109% * 49.8058% (0.76   1.0 10.00   4.50  16.14) =  19.462%  kept
        T HA    GLU-  29 - QB    GLN   32   3.47 +/- 0.87  28.053% *  4.8213% (0.90   1.0 10.00   0.16   0.02) =   4.032%  kept
          HA    VAL   18 - QB    GLN   32  13.13 +/- 1.68   0.522% *  0.0602% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - QB    GLN   32  27.32 +/- 2.93   0.049% *  0.3172% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  22.49 +/- 6.53   0.220% *  0.0629% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.73 +/- 2.15   0.465% *  0.0292% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  25.14 +/- 2.95   0.072% *  0.0602% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  22.93 +/- 4.38   0.113% *  0.0292% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  26.61 +/- 5.04   0.069% *  0.0473% (0.73   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 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 = 3.22, residual support = 44.3:
    * O T QG    GLN   32 - QB    GLN   32   2.10 +/- 0.03  93.184% * 99.7611% (1.00  10.0 10.00   3.22  44.29) =  99.998%  kept
          HB2   GLU- 100 - QB    GLN   32  13.60 +/- 4.92   6.132% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - QB    GLN   32  17.80 +/- 2.87   0.199% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.08 +/- 2.60   0.127% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  19.82 +/- 2.70   0.137% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  22.80 +/- 4.42   0.135% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  24.75 +/- 4.22   0.087% *  0.0197% (0.20   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 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.706, support = 3.22, residual support = 37.9:
    * O T HA    GLN   32 - QG    GLN   32   2.35 +/- 0.37  66.414% * 44.7768% (0.69  10.0 10.00   3.00  44.29) =  78.695%  kept
        T HA    LYS+  33 - QG    GLN   32   4.50 +/- 0.74  14.429% * 49.8170% (0.76   1.0 10.00   4.50  16.14) =  19.021%  kept
        T HA    GLU-  29 - QG    GLN   32   4.84 +/- 0.86  17.878% *  4.8223% (0.90   1.0 10.00   0.16   0.02) =   2.281%  kept
        T HA    GLN  116 - QG    GLN   32  23.75 +/- 4.45   0.125% *  0.2922% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QG    GLN   32  14.24 +/- 1.96   0.441% *  0.0602% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    GLN   32  14.48 +/- 2.31   0.415% *  0.0292% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  23.54 +/- 6.31   0.141% *  0.0629% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  26.09 +/- 3.22   0.057% *  0.0602% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  27.51 +/- 5.13   0.059% *  0.0473% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.28 +/- 3.35   0.042% *  0.0317% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.22, residual support = 44.3:
    * O T QB    GLN   32 - QG    GLN   32   2.10 +/- 0.03  91.603% * 99.6746% (1.00  10.0 10.00   3.22  44.29) =  99.996%  kept
          HG3   GLU- 100 - QG    GLN   32  13.17 +/- 5.54   2.271% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - QG    GLN   32  15.37 +/- 3.94   5.404% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - QG    GLN   32  13.57 +/- 0.80   0.354% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.24 +/- 3.49   0.199% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  24.25 +/- 4.61   0.132% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  29.74 +/- 3.47   0.038% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 149.1:
    * O T QB    LYS+  33 - HA    LYS+  33   2.17 +/- 0.04  70.943% * 71.9447% (1.00  10.0 10.00   6.52 153.21) =  97.113%  kept
        T QB    LYS+  33 - HA    GLN   32   5.31 +/- 0.14   4.863% * 18.5021% (0.26   1.0 10.00   4.88  16.14) =   1.712%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.22 +/- 1.36   8.315% *  7.3949% (0.28   1.0 10.00   0.74   0.02) =   1.170%  kept
        T QB    LYS+  81 - HA    LYS+  33  24.62 +/- 3.93   0.064% *  0.6943% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HA    LYS+  33   9.59 +/- 1.09   1.343% *  0.0296% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   7.66 +/- 0.50   1.708% *  0.0179% (0.25   1.0  1.00   0.02   0.53) =   0.001%
          HB3   LYS+  38 - HA    GLN   32  10.66 +/- 2.10   3.690% *  0.0076% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  22.21 +/- 5.55   0.125% *  0.1938% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.76 +/- 0.33   3.917% *  0.0050% (0.07   1.0  1.00   0.02  26.50) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  23.09 +/- 4.50   0.089% *  0.1786% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.90 +/- 3.48   0.185% *  0.0664% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  19.47 +/- 3.46   0.123% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.62 +/- 0.26   1.664% *  0.0046% (0.06   1.0  1.00   0.02   1.67) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.65 +/- 2.22   0.092% *  0.0705% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.62 +/- 1.41   0.087% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  19.97 +/- 4.16   0.263% *  0.0171% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.88 +/- 2.76   0.024% *  0.1794% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  14.86 +/- 2.26   0.517% *  0.0083% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  17.69 +/- 5.07   0.235% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  23.86 +/- 5.46   0.207% *  0.0179% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.95 +/- 4.81   0.131% *  0.0190% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.53 +/- 4.29   0.123% *  0.0197% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.47 +/- 3.54   0.127% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  29.26 +/- 2.97   0.033% *  0.0694% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  19.06 +/- 3.03   0.128% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  21.87 +/- 3.32   0.109% *  0.0185% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  31.51 +/- 3.77   0.027% *  0.0713% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  20.45 +/- 3.02   0.100% *  0.0190% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  26.63 +/- 2.96   0.045% *  0.0407% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  30.76 +/- 2.73   0.028% *  0.0501% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.52 +/- 3.37   0.029% *  0.0461% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.27 +/- 3.73   0.044% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  28.98 +/- 4.41   0.038% *  0.0199% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  25.45 +/- 6.08   0.151% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  28.38 +/- 3.58   0.040% *  0.0179% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  29.61 +/- 4.05   0.034% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  24.31 +/- 5.78   0.127% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.28 +/- 3.13   0.048% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  25.67 +/- 3.13   0.052% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.06 +/- 2.52   0.037% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.31 +/- 3.02   0.049% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  26.37 +/- 2.75   0.045% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.954, support = 6.1, residual support = 144.4:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.37 +/- 0.24  51.454% * 71.2438% (1.00  10.0 10.00   6.30 153.21) =  93.798%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.31 +/- 0.72   9.491% * 18.3219% (0.26   1.0 10.00   4.17  16.14) =   4.449%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.73 +/- 1.27   9.786% *  6.8369% (0.28   1.0 10.00   0.69   0.02) =   1.712%  kept
        T HG3   LYS+ 102 - HA    LYS+  33  19.02 +/- 5.20   0.436% *  0.6739% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  65 - HA    LYS+  33  20.51 +/- 3.48   0.356% *  0.7061% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - HA    GLN   32  17.53 +/- 6.25   0.853% *  0.1733% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HA    LYS+  33  21.60 +/- 2.41   0.215% *  0.5705% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HA    GLU-  29  20.64 +/- 3.90   0.440% *  0.1971% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HA    GLN   32  20.67 +/- 4.46   0.457% *  0.1816% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HA    LYS+  33  13.81 +/- 2.42   1.088% *  0.0688% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HA    GLU-  29  20.30 +/- 5.73   0.357% *  0.1882% (0.26   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+  33  14.82 +/- 3.39   1.069% *  0.0570% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+  33  14.68 +/- 1.46   0.756% *  0.0706% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLN   32  19.88 +/- 3.91   0.336% *  0.1467% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  13.89 +/- 3.38   1.124% *  0.0375% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  21.60 +/- 3.92   0.228% *  0.1593% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  12.35 +/- 3.13   1.617% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  16.56 +/- 4.23   1.859% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  12.59 +/- 4.37   2.427% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLN   32  13.58 +/- 2.80   1.135% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLN   32  14.36 +/- 2.38   1.080% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+  33  16.74 +/- 2.19   0.579% *  0.0198% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.82 +/- 2.20   0.573% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  14.52 +/- 4.13   0.993% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  15.01 +/- 3.52   0.928% *  0.0110% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.14 +/- 3.51   0.639% *  0.0147% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  28.77 +/- 4.57   0.132% *  0.0639% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  23.33 +/- 6.57   1.445% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  21.59 +/- 5.47   0.388% *  0.0178% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  13.73 +/- 4.73   2.095% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  24.09 +/- 2.98   0.233% *  0.0178% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.74 +/- 2.31   0.703% *  0.0055% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  23.44 +/- 3.70   0.216% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.66 +/- 2.70   0.658% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  27.77 +/- 5.00   0.185% *  0.0164% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  23.64 +/- 4.54   0.254% *  0.0110% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  28.52 +/- 4.74   0.129% *  0.0178% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  15.80 +/- 4.40   0.732% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.07 +/- 3.28   0.360% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  21.28 +/- 4.76   0.388% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  21.30 +/- 6.03   0.532% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  21.56 +/- 5.78   0.347% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  22.86 +/- 3.25   0.282% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  21.87 +/- 4.16   0.298% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  22.21 +/- 4.70   0.344% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.945, support = 4.83, residual support = 142.4:
    *   T QD    LYS+  33 - HA    LYS+  33   3.82 +/- 0.56  61.441% * 71.9434% (1.00 10.00   5.04 153.21) =  92.498%  kept
        T QD    LYS+  33 - HA    GLN   32   7.01 +/- 0.58  11.002% * 18.5018% (0.26 10.00   3.34  16.14) =   4.260%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.45 +/- 1.04  18.683% *  8.2727% (0.28 10.00   0.82   0.02) =   3.234%  kept
          HB3   LEU  123 - HA    LYS+  33  24.38 +/- 6.01   1.544% *  0.0719% (1.00  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HA    LYS+  33  30.90 +/- 4.09   0.141% *  0.6452% (0.90 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HA    LYS+  33  21.35 +/- 2.95   0.527% *  0.0624% (0.87  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+  33  18.14 +/- 2.16   0.771% *  0.0407% (0.57  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLN   32  29.45 +/- 5.05   0.178% *  0.1659% (0.23 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLU-  29  30.47 +/- 4.78   0.155% *  0.1801% (0.25 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLU-  29  26.20 +/- 6.54   0.789% *  0.0201% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  24.94 +/- 6.26   0.738% *  0.0185% (0.26  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.31 +/- 2.44   1.083% *  0.0114% (0.16  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  20.69 +/- 3.48   0.697% *  0.0174% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  20.69 +/- 3.37   0.642% *  0.0160% (0.22  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  17.83 +/- 2.65   0.972% *  0.0105% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  29.98 +/- 3.36   0.179% *  0.0142% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  28.97 +/- 4.06   0.253% *  0.0040% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  29.07 +/- 3.73   0.203% *  0.0037% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.756, support = 5.16, residual support = 108.2:
    *   T QE    LYS+  33 - HA    LYS+  33   4.12 +/- 0.82  25.162% * 48.9806% (1.00 10.00   5.72 153.21) =  66.654%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.30 +/- 0.20  21.616% * 13.4041% (0.27 10.00   5.65  32.02) =  15.670%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.60 +/- 0.36  10.083% * 16.7077% (0.34 10.00   2.85   4.80) =   9.111%  kept
        T HB2   ASN   35 - HA    GLN   32   4.98 +/- 0.98  17.064% *  4.2967% (0.09 10.00   2.05   3.33) =   3.965%  kept
        T QE    LYS+  33 - HA    GLN   32   7.05 +/- 1.16   4.730% * 12.5964% (0.26 10.00   3.56  16.14) =   3.222%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.31 +/- 1.50   9.980% *  2.4098% (0.28 10.00   0.35   0.02) =   1.301%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.77 +/- 0.83   1.459% *  0.4801% (0.98 10.00   0.02   0.02) =   0.038%
        T HB2   ASN   28 - HA    GLN   32   8.82 +/- 0.85   2.758% *  0.1235% (0.25 10.00   0.02   0.02) =   0.018%
        T QE    LYS+  65 - HA    LYS+  33  19.75 +/- 3.39   0.331% *  0.4393% (0.90 10.00   0.02   0.02) =   0.008%
        T HB2   ASN   35 - HA    GLU-  29  10.24 +/- 0.94   1.630% *  0.0466% (0.10 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLN   32  19.89 +/- 4.32   0.560% *  0.1130% (0.23 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  65 - HA    GLU-  29  19.62 +/- 3.67   0.391% *  0.1226% (0.25 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - HA    LYS+  33  21.57 +/- 2.40   0.210% *  0.1090% (0.22 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  19.65 +/- 3.65   0.334% *  0.0304% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    LYS+  33  16.02 +/- 3.19   1.332% *  0.0076% (0.15  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLN   32  20.62 +/- 2.41   0.240% *  0.0280% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  27.84 +/- 7.01   0.179% *  0.0336% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  25.59 +/- 8.10   0.416% *  0.0094% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.72 +/- 2.32   0.113% *  0.0317% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  25.89 +/- 7.42   0.321% *  0.0087% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  23.49 +/- 3.60   0.162% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.49 +/- 2.48   0.129% *  0.0081% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.36 +/- 3.30   0.507% *  0.0019% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.90 +/- 2.57   0.294% *  0.0021% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.10 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.986, support = 6.27, residual support = 144.7:
    * O T HA    LYS+  33 - QB    LYS+  33   2.17 +/- 0.04  76.879% * 60.9936% (1.00  10.0 10.00   6.52 153.21) =  94.264%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.22 +/- 1.36   9.033% * 21.6711% (0.97   1.0 10.00   0.74   0.02) =   3.935%  kept
        T HA    GLN   32 - QB    LYS+  33   5.31 +/- 0.14   5.270% * 16.9585% (0.28   1.0 10.00   4.88  16.14) =   1.797%  kept
          HB2   SER   37 - QB    LYS+  33   5.72 +/- 1.27   6.764% *  0.0136% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QB    LYS+  33  10.77 +/- 1.40   0.810% *  0.0577% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    LYS+  33  11.57 +/- 1.96   0.840% *  0.0529% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  23.16 +/- 5.88   0.140% *  0.0547% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  21.94 +/- 3.87   0.118% *  0.0529% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  27.24 +/- 2.17   0.042% *  0.0941% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  25.17 +/- 2.10   0.054% *  0.0321% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  27.43 +/- 4.38   0.051% *  0.0188% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 153.2:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.47 +/- 0.08  91.788% * 96.3761% (1.00  10.0 10.00   6.22 153.21) =  99.981%  kept
        T QB    LEU   98 - QB    LYS+  33  12.53 +/- 3.00   0.978% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  65 - QB    LYS+  33  17.54 +/- 2.79   0.387% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - QB    LYS+  33  17.53 +/- 4.47   0.351% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - QB    LYS+  33  19.27 +/- 2.23   0.212% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  11.28 +/- 2.28   1.287% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QB    LYS+  33  12.56 +/- 3.13   1.455% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QB    LYS+  33  12.77 +/- 1.08   0.721% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+  33  14.00 +/- 1.52   0.594% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  19.12 +/- 5.20   0.601% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  13.49 +/- 2.99   0.787% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  25.24 +/- 3.85   0.128% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.95 +/- 2.67   0.240% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  20.46 +/- 3.30   0.209% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  20.47 +/- 4.33   0.261% *  0.0149% (0.15   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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 153.2:
    * O T QD    LYS+  33 - QB    LYS+  33   2.24 +/- 0.11  97.790% * 97.3258% (1.00  10.0 10.00   5.03 153.21) =  99.982%  kept
        T HB3   LEU  123 - QB    LYS+  33  21.34 +/- 5.69   1.459% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.015%
        T HD2   LYS+  74 - QB    LYS+  33  15.38 +/- 1.63   0.362% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QB    LYS+  33  27.32 +/- 3.41   0.070% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  18.47 +/- 2.57   0.240% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.08 +/- 3.01   0.079% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 153.0:
    *   T QE    LYS+  33 - QB    LYS+  33   2.56 +/- 0.52  84.643% * 96.4557% (1.00 10.00   5.66 153.21) =  99.841%  kept
          HB2   ASN   35 - QB    LYS+  33   6.89 +/- 0.30   5.411% *  2.2265% (0.34  1.00   1.35   4.80) =   0.147%  kept
        T QE    LYS+  65 - QB    LYS+  33  16.89 +/- 2.68   0.586% *  0.8650% (0.90 10.00   0.02   0.02) =   0.006%
          HB2   ASN   28 - QB    LYS+  33   8.64 +/- 1.11   3.308% *  0.0945% (0.98  1.00   0.02   0.02) =   0.004%
          HB2   ASN   69 - QB    LYS+  33  14.32 +/- 2.87   5.330% *  0.0149% (0.15  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QB    LYS+  33  18.47 +/- 2.38   0.324% *  0.2147% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  24.42 +/- 6.29   0.208% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  22.21 +/- 2.32   0.189% *  0.0624% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.962, support = 5.85, residual support = 137.1:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.37 +/- 0.24  40.128% * 59.8891% (1.00  10.0 10.00   6.30 153.21) =  88.958%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.73 +/- 1.27   8.203% * 19.8664% (0.97   1.0 10.00   0.69   0.02) =   6.032%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.31 +/- 0.72   8.024% * 16.6514% (0.28   1.0 10.00   4.17  16.14) =   4.946%  kept
          HB2   SER   37 - HG3   LYS+  33   5.51 +/- 2.31  22.378% *  0.0133% (0.22   1.0  1.00   0.02   0.02) =   0.011%
        T HA    GLU-  29 - HG3   LYS+  65  20.64 +/- 3.90   0.330% *  0.4991% (0.83   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  33 - HG3   LYS+  65  20.51 +/- 3.48   0.282% *  0.5172% (0.86   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL   18 - HG3   LYS+  33  11.05 +/- 1.99   2.103% *  0.0567% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   18 - HG3   LYS+  65  12.19 +/- 5.58   2.124% *  0.0489% (0.82   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - HG3   LYS+ 102  19.02 +/- 5.20   0.330% *  0.2975% (0.50   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   70 - HG3   LYS+  33  11.62 +/- 2.16   1.662% *  0.0519% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HG3   LYS+ 102  20.30 +/- 5.73   0.272% *  0.2871% (0.48   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HG3   LYS+ 106  21.60 +/- 3.92   0.180% *  0.3673% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HG3   LYS+ 106  21.60 +/- 2.41   0.168% *  0.3806% (0.64   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - HG3   LYS+  65  16.54 +/- 6.97   2.235% *  0.0272% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HG3   LYS+  65  12.17 +/- 1.77   1.310% *  0.0449% (0.75   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HG3   LYS+ 106  19.19 +/- 4.78   0.974% *  0.0587% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+  65  20.67 +/- 4.46   0.360% *  0.1438% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 102  17.53 +/- 6.25   0.615% *  0.0827% (0.14   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  19.88 +/- 3.91   0.264% *  0.1058% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  65  15.29 +/- 1.59   0.491% *  0.0449% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  15.37 +/- 2.62   0.519% *  0.0330% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  17.10 +/- 3.75   0.495% *  0.0330% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HG3   LYS+ 106  19.33 +/- 4.35   0.789% *  0.0200% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  25.18 +/- 6.80   0.292% *  0.0537% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 102  19.22 +/- 5.49   0.569% *  0.0258% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+  33  23.55 +/- 4.13   0.237% *  0.0519% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.43 +/- 5.37   0.327% *  0.0341% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  19.61 +/- 3.69   0.292% *  0.0360% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  22.20 +/- 3.85   0.210% *  0.0464% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  19.10 +/- 5.44   0.689% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.70 +/- 4.41   0.193% *  0.0281% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.52 +/- 3.33   0.428% *  0.0115% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  24.52 +/- 6.77   0.172% *  0.0267% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.40 +/- 3.11   0.153% *  0.0258% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  18.08 +/- 5.46   0.527% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  17.84 +/- 4.15   0.416% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  27.13 +/- 2.21   0.090% *  0.0315% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  23.93 +/- 4.46   0.168% *  0.0160% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.92 +/- 2.85   0.288% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.61 +/- 4.40   0.145% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  25.89 +/- 7.20   0.239% *  0.0092% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  29.79 +/- 5.43   0.099% *  0.0185% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.57 +/- 4.70   0.158% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.51 +/- 2.48   0.072% *  0.0092% (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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.84, support = 6.07, residual support = 143.0:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.47 +/- 0.08  34.714% * 52.2832% (1.00  10.0 10.00   6.22 153.21) =  60.118%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.44 +/- 0.09  35.842% * 31.4279% (0.60  10.0 10.00   5.93 134.86) =  37.312%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.53 +/- 0.86   7.674% *  7.5866% (0.62   1.0  1.00   4.66  23.85) =   1.928%  kept
          HB    ILE  103 - HG3   LYS+ 102   5.89 +/- 0.93   3.489% *  5.3504% (0.47   1.0  1.00   4.36  23.01) =   0.618%  kept
          HB    ILE  103 - HG3   LYS+ 106   5.57 +/- 0.97   3.754% *  0.0314% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.29 +/- 1.63   0.457% *  0.2457% (0.47   1.0 10.00   0.02   0.02) =   0.004%
          HB3   GLN   30 - HG3   LYS+  33   5.61 +/- 1.05   5.261% *  0.0130% (0.25   1.0  1.00   0.02   0.53) =   0.002%
        T QB    LYS+  33 - HG3   LYS+  65  17.54 +/- 2.79   0.152% *  0.4515% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HG3   LYS+  65  11.20 +/- 2.15   1.259% *  0.0417% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  65  18.27 +/- 1.73   0.091% *  0.4271% (0.82   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 102  17.53 +/- 4.47   0.133% *  0.2597% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG3   LYS+  33  19.67 +/- 1.22   0.070% *  0.4946% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  19.27 +/- 2.23   0.081% *  0.3322% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HG3   LYS+ 106  19.07 +/- 4.86   0.796% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   LYS+  65  13.93 +/- 4.37   0.368% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+  33  10.00 +/- 1.59   0.655% *  0.0215% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.57 +/- 1.41   0.406% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  16.02 +/- 5.82   0.750% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.33 +/- 2.95   0.159% *  0.0483% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  22.39 +/- 5.47   0.518% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.22 +/- 1.98   0.224% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  19.16 +/- 3.98   0.108% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  21.91 +/- 4.79   0.101% *  0.0447% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.87 +/- 3.11   0.091% *  0.0495% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.72 +/- 2.44   0.080% *  0.0512% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  19.39 +/- 2.27   0.087% *  0.0443% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  20.34 +/- 3.75   0.181% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.27 +/- 1.94   0.167% *  0.0188% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  20.55 +/- 3.57   0.097% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  19.65 +/- 2.75   0.089% *  0.0329% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  23.23 +/- 4.32   0.057% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  23.47 +/- 4.92   0.095% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  21.35 +/- 3.51   0.072% *  0.0307% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  16.33 +/- 2.58   0.192% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  22.69 +/- 2.25   0.049% *  0.0427% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  15.50 +/- 2.51   0.173% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  24.31 +/- 5.43   0.080% *  0.0240% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  27.43 +/- 2.88   0.030% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  18.37 +/- 4.09   0.199% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.72 +/- 4.00   0.152% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  29.84 +/- 4.28   0.024% *  0.0518% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  24.97 +/- 2.94   0.042% *  0.0296% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  19.00 +/- 2.60   0.089% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.78 +/- 3.14   0.101% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.60 +/- 1.28   0.178% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  18.32 +/- 3.31   0.108% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  19.88 +/- 4.22   0.098% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  27.69 +/- 4.19   0.031% *  0.0257% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  18.67 +/- 4.77   0.111% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  29.45 +/- 3.69   0.025% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.53 +/- 2.47   0.038% *  0.0147% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  25.55 +/- 6.09   0.069% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.40 +/- 3.18   0.037% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.30 +/- 2.49   0.020% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.38 +/- 4.24   0.039% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.10 +/- 1.49   0.038% *  0.0040% (0.08   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 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 = 153.2:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.36 +/- 0.16  83.574% * 94.8130% (1.00  10.0 10.00   4.54 153.21) =  99.970%  kept
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.12 +/- 3.53   1.214% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QB    ALA   57 - HG3   LYS+  65   9.72 +/- 3.13   5.029% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HG3   LYS+  65  16.57 +/- 3.27   0.415% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.22 +/- 3.79   0.328% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HG3   LYS+  65   9.21 +/- 4.05   4.596% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HG3   LYS+ 102  18.02 +/- 4.14   0.263% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 106  19.42 +/- 1.86   0.169% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  33  23.06 +/- 5.78   0.735% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+ 102  23.72 +/- 4.39   0.121% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  29.58 +/- 4.14   0.052% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+ 106  14.91 +/- 2.40   0.809% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  65  16.81 +/- 3.00   0.331% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.08 +/- 2.18   0.327% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  19.81 +/- 2.86   0.175% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  20.60 +/- 4.53   0.204% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  14.57 +/- 4.19   0.734% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  18.42 +/- 3.59   0.237% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  25.92 +/- 6.70   0.137% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.10 +/- 2.74   0.136% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  23.55 +/- 3.98   0.110% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  21.32 +/- 3.81   0.198% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  28.14 +/- 3.39   0.057% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  30.27 +/- 3.86   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 0.06 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.89, support = 4.76, residual support = 156.6:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.76 +/- 0.58  40.263% * 54.6859% (1.00  10.0 10.00   5.14 153.21) =  51.474%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.51 +/- 0.51  48.993% * 42.3520% (0.77  10.0 10.00   4.35 160.32) =  48.508%  kept
        T QE    LYS+  33 - HG3   LYS+  65  16.88 +/- 3.16   0.325% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HG3   LYS+  33  17.88 +/- 2.94   0.231% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASN   28 - HG3   LYS+  33  10.07 +/- 1.30   1.053% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 102  18.36 +/- 4.71   0.206% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  65  13.85 +/- 3.52   0.474% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+ 106  18.53 +/- 3.74   0.600% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  19.49 +/- 2.28   0.142% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.68 +/- 2.36   0.128% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.54 +/- 0.42   2.292% *  0.0187% (0.34   1.0  1.00   0.02   4.80) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  33  19.64 +/- 3.04   0.179% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  24.70 +/- 2.81   0.073% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.19 +/- 3.98   0.262% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  17.81 +/- 6.29   0.461% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  23.92 +/- 3.41   0.144% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.02 +/- 4.14   0.274% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.82 +/- 3.69   0.308% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.79 +/- 2.31   0.894% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  26.49 +/- 7.52   0.146% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  14.77 +/- 3.14   0.590% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  23.12 +/- 8.24   0.231% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.83 +/- 6.01   0.147% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.90 +/- 4.74   0.113% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  16.97 +/- 6.17   0.384% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  21.14 +/- 5.06   0.205% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  22.81 +/- 4.49   0.093% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.87 +/- 2.99   0.078% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  21.70 +/- 6.64   0.375% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.21 +/- 2.94   0.121% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.97 +/- 2.96   0.077% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  20.13 +/- 4.65   0.139% *  0.0054% (0.10   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 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.965, support = 4.55, residual support = 132.2:
    *   T HA    LYS+  33 - QD    LYS+  33   3.82 +/- 0.56  40.841% * 58.6613% (1.00 10.00   5.04 153.21) =  85.830%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.45 +/- 1.04  11.763% * 23.3168% (0.97 10.00   0.82   0.02) =   9.826%  kept
        T HA    GLN   32 - QD    LYS+  33   7.01 +/- 0.58   7.360% * 16.3100% (0.28 10.00   3.34  16.14) =   4.301%  kept
          HA    VAL   18 - QD    LYS+  33   9.45 +/- 2.20   6.220% *  0.0555% (0.95  1.00   0.02   0.02) =   0.012%
          HB2   SER   37 - QD    LYS+  33   5.60 +/- 1.57  23.560% *  0.0131% (0.22  1.00   0.02   0.02) =   0.011%
          HA    VAL   70 - QD    LYS+  33  10.85 +/- 2.43   4.885% *  0.0509% (0.87  1.00   0.02   0.02) =   0.009%
          HA    GLN  116 - HD3   LYS+ 111  12.25 +/- 0.81   1.358% *  0.0456% (0.78  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HD3   LYS+ 111  30.47 +/- 4.78   0.102% *  0.5073% (0.86 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  30.90 +/- 4.09   0.089% *  0.5257% (0.90 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QD    LYS+  33  21.33 +/- 4.07   0.669% *  0.0509% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HD3   LYS+ 111  25.20 +/- 5.28   0.473% *  0.0471% (0.80  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  23.21 +/- 5.78   0.335% *  0.0526% (0.90  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  29.45 +/- 5.05   0.109% *  0.1462% (0.25 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HD3   LYS+ 111  25.81 +/- 4.60   0.255% *  0.0497% (0.85  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  23.88 +/- 3.28   0.201% *  0.0456% (0.78  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  20.33 +/- 2.22   0.310% *  0.0277% (0.47  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  24.76 +/- 2.42   0.191% *  0.0309% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.31 +/- 3.80   0.300% *  0.0162% (0.28  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  16.60 +/- 2.08   0.582% *  0.0081% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  27.37 +/- 4.57   0.138% *  0.0181% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.80 +/- 2.69   0.148% *  0.0091% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  28.84 +/- 3.28   0.111% *  0.0117% (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 = 0.997, support = 5.02, residual support = 152.6:
    * O T QB    LYS+  33 - QD    LYS+  33   2.24 +/- 0.11  73.115% * 92.6449% (1.00  10.0 10.00   5.03 153.21) =  99.576%  kept
          HB3   GLN   30 - QD    LYS+  33   5.58 +/- 1.14  16.582% *  1.6585% (0.25   1.0  1.00   1.44   0.53) =   0.404%  kept
        T HG3   PRO   68 - QD    LYS+  33  15.80 +/- 2.88   0.357% *  0.8552% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU  123 - QD    LYS+  33  20.05 +/- 5.10   1.265% *  0.2310% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HD3   LYS+ 111  11.23 +/- 2.78   2.105% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   ARG+  54 - HD3   LYS+ 111  17.99 +/- 2.04   0.160% *  0.8012% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   ARG+  54 - QD    LYS+  33  24.79 +/- 3.10   0.066% *  0.8941% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   LYS+ 111  14.72 +/- 3.60   0.625% *  0.0814% (0.88   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   PRO   68 - HD3   LYS+ 111  25.27 +/- 3.47   0.064% *  0.7664% (0.83   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  27.32 +/- 3.41   0.051% *  0.8302% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD    LYS+  33  10.09 +/- 1.31   1.033% *  0.0381% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HD3   LYS+ 111  11.74 +/- 2.35   0.647% *  0.0470% (0.51   1.0  1.00   0.02   1.93) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  19.34 +/- 1.68   0.123% *  0.2070% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  18.76 +/- 4.16   0.320% *  0.0785% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  13.74 +/- 3.99   1.751% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  19.50 +/- 4.28   0.181% *  0.0823% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.00 +/- 2.52   0.159% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  22.78 +/- 4.92   0.162% *  0.0801% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.54 +/- 2.21   0.141% *  0.0908% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  18.43 +/- 0.99   0.133% *  0.0876% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  21.32 +/- 3.74   0.115% *  0.0894% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  14.00 +/- 2.71   0.456% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.71 +/- 3.04   0.094% *  0.0525% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  27.30 +/- 3.72   0.051% *  0.0918% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  28.34 +/- 4.04   0.049% *  0.0341% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  26.86 +/- 4.25   0.067% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.23 +/- 3.03   0.084% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.50 +/- 2.75   0.046% *  0.0231% (0.25   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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 152.3:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.36 +/- 0.16  81.049% * 79.1568% (1.00  10.0 10.00   4.54 153.21) =  99.303%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   8.06 +/- 1.14   2.838% * 15.1053% (0.80   1.0  1.00   4.75  28.92) =   0.663%  kept
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.12 +/- 3.53   1.178% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+  65 - QD    LYS+  33  16.57 +/- 3.27   0.404% *  0.7846% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.22 +/- 3.79   0.311% *  0.7031% (0.89   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - QD    LYS+  33  18.02 +/- 4.14   0.256% *  0.7488% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   12 - QD    LYS+  33  11.74 +/- 3.11   2.258% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QD    LYS+  33  10.67 +/- 2.81   1.636% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QD    LYS+  33  19.42 +/- 1.86   0.164% *  0.6338% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HD3   LYS+ 111  23.72 +/- 4.39   0.118% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  12.21 +/- 3.71   4.038% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  17.56 +/- 3.06   0.300% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+  33  12.36 +/- 1.48   0.660% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  29.58 +/- 4.14   0.050% *  0.7093% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  12.85 +/- 2.71   0.739% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  18.64 +/- 2.92   0.222% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.27 +/- 2.27   0.644% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  22.71 +/- 4.88   0.144% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  18.11 +/- 3.15   0.244% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  18.76 +/- 5.12   0.369% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  24.73 +/- 4.36   0.098% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.84 +/- 4.85   0.345% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.90 +/- 2.64   0.555% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.81 +/- 4.00   0.269% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.20 +/- 5.51   0.346% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  20.50 +/- 3.21   0.186% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  20.34 +/- 3.42   0.163% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  30.80 +/- 4.68   0.047% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  20.27 +/- 4.57   0.213% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.83 +/- 3.19   0.156% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 153.2:
    * O T QE    LYS+  33 - QD    LYS+  33   2.10 +/- 0.03  91.463% * 96.5704% (1.00  10.0 10.00   4.22 153.21) =  99.988%  kept
        T QE    LYS+  65 - HD3   LYS+ 111  20.43 +/- 3.70   0.477% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - QD    LYS+  33  15.99 +/- 2.98   0.353% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HB2   ASN   28 - QD    LYS+  33   9.46 +/- 0.90   1.120% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.94 +/- 5.51   0.323% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   8.08 +/- 0.66   1.733% *  0.0329% (0.34   1.0  1.00   0.02   4.80) =   0.001%
          HB2   ASN   69 - QD    LYS+  33  13.61 +/- 3.32   3.214% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  33  18.02 +/- 3.18   0.210% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HD3   LYS+ 111  27.32 +/- 3.19   0.049% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.25 +/- 6.62   0.552% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  24.48 +/- 6.24   0.118% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.89 +/- 4.46   0.128% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.81 +/- 3.07   0.101% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.28 +/- 5.45   0.051% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  29.78 +/- 4.67   0.046% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  25.98 +/- 3.92   0.061% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.96, support = 5.24, residual support = 135.8:
    *   T HA    LYS+  33 - QE    LYS+  33   4.12 +/- 0.82  29.858% * 67.6488% (1.00 10.00   5.72 153.21) =  88.130%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.31 +/- 1.50  13.357% * 11.5049% (0.97 10.00   0.35   0.02) =   6.705%  kept
        T HA    GLN   32 - QE    LYS+  33   7.05 +/- 1.16   6.146% * 18.8089% (0.28 10.00   3.56  16.14) =   5.044%  kept
          HA    VAL   18 - QE    LYS+  65  12.31 +/- 4.63   2.235% *  0.5249% (0.49  1.00   0.32   0.02) =   0.051%
          HA    VAL   18 - QE    LYS+  33   9.72 +/- 2.10   5.069% *  0.0640% (0.95  1.00   0.02   0.02) =   0.014%
          HA    VAL   70 - QE    LYS+  33  11.33 +/- 2.31   4.485% *  0.0587% (0.87  1.00   0.02   0.02) =   0.011%
          HB2   SER   37 - QE    LYS+  33   6.12 +/- 1.59  15.267% *  0.0151% (0.22  1.00   0.02   0.02) =   0.010%
        T HA    GLU-  29 - QE    LYS+  65  19.62 +/- 3.67   0.545% *  0.3356% (0.50 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  33 - QE    LYS+  65  19.75 +/- 3.39   0.457% *  0.3478% (0.51 10.00   0.02   0.02) =   0.007%
        T HA    GLN   32 - QE    LYS+  65  19.89 +/- 4.32   0.693% *  0.0967% (0.14 10.00   0.02   0.02) =   0.003%
          HA    SER   48 - QE    LYS+  65  14.75 +/- 6.45   3.165% *  0.0183% (0.27  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - QE    LYS+  65  12.77 +/- 1.53   1.539% *  0.0302% (0.45  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB2   ASP-  76  19.65 +/- 3.65   0.403% *  0.0974% (0.14 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QE    LYS+  65  14.37 +/- 1.94   1.053% *  0.0302% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  23.25 +/- 6.01   0.498% *  0.0607% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  13.42 +/- 5.15   5.083% *  0.0053% (0.08  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASP-  76  21.57 +/- 2.40   0.260% *  0.1009% (0.15 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  21.55 +/- 3.88   0.424% *  0.0587% (0.87  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  10.59 +/- 1.57   2.118% *  0.0090% (0.13  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASP-  76  16.34 +/- 7.65   1.467% *  0.0095% (0.14  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  65  20.19 +/- 4.20   0.396% *  0.0312% (0.46  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB2   ASP-  76  20.62 +/- 2.41   0.297% *  0.0281% (0.04 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  24.84 +/- 2.77   0.180% *  0.0356% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.19 +/- 3.08   0.598% *  0.0077% (0.11  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  16.88 +/- 1.55   0.519% *  0.0088% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  15.68 +/- 4.11   0.818% *  0.0054% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  21.50 +/- 4.86   0.408% *  0.0107% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  27.46 +/- 4.65   0.163% *  0.0209% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.56 +/- 2.10   0.958% *  0.0031% (0.05  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  21.34 +/- 2.49   0.280% *  0.0088% (0.13  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.95 +/- 2.67   0.141% *  0.0104% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  17.09 +/- 4.50   0.726% *  0.0016% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  20.76 +/- 3.43   0.393% *  0.0022% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.07 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 0.998, support = 5.65, residual support = 152.9:
    *   T QB    LYS+  33 - QE    LYS+  33   2.56 +/- 0.52  63.025% * 97.1954% (1.00 10.00   5.66 153.21) =  99.799%  kept
          HB3   GLN   30 - QE    LYS+  33   5.71 +/- 1.29  14.423% *  0.7945% (0.25  1.00   0.66   0.53) =   0.187%  kept
        T QB    LYS+  33 - QE    LYS+  65  16.89 +/- 2.68   0.400% *  0.4996% (0.51 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - QE    LYS+  65  11.69 +/- 1.85   2.506% *  0.0461% (0.47  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QE    LYS+  65  12.09 +/- 4.27   1.709% *  0.0482% (0.50  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  33  16.25 +/- 2.85   0.686% *  0.0897% (0.92  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QE    LYS+  65  19.64 +/- 4.92   0.938% *  0.0495% (0.51  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QE    LYS+  33  10.52 +/- 1.17   1.112% *  0.0400% (0.41  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB2   ASP-  76   8.41 +/- 1.31   2.530% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HB2   ASP-  76  18.47 +/- 2.38   0.227% *  0.1450% (0.15 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QE    LYS+  33  18.31 +/- 3.03   0.265% *  0.0919% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.14 +/- 2.24   0.853% *  0.0283% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  17.35 +/- 4.26   0.477% *  0.0482% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.84 +/- 2.55   0.234% *  0.0953% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  18.65 +/- 1.32   0.220% *  0.0919% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  21.34 +/- 4.02   0.188% *  0.0938% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.31 +/- 1.96   0.332% *  0.0473% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  20.20 +/- 4.97   0.609% *  0.0242% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  18.63 +/- 2.08   0.257% *  0.0490% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  14.15 +/- 2.91   0.759% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  24.87 +/- 3.14   0.093% *  0.0938% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  27.37 +/- 3.99   0.079% *  0.0963% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  21.63 +/- 2.13   0.155% *  0.0473% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  19.92 +/- 3.60   0.348% *  0.0205% (0.21  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.49 +/- 2.96   0.499% *  0.0137% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  22.94 +/- 3.03   0.120% *  0.0550% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  16.82 +/- 4.12   0.831% *  0.0077% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  16.70 +/- 3.13   0.507% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  14.67 +/- 2.71   0.488% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  15.89 +/- 2.37   0.450% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  20.53 +/- 3.66   0.369% *  0.0142% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.62 +/- 3.42   1.996% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  17.34 +/- 3.22   0.315% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  19.45 +/- 3.76   0.279% *  0.0134% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  20.17 +/- 3.03   0.197% *  0.0137% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  17.39 +/- 2.80   0.285% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  15.43 +/- 3.74   0.517% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.69 +/- 2.60   0.067% *  0.0242% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  24.33 +/- 2.85   0.095% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  19.03 +/- 4.23   0.298% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  22.18 +/- 3.95   0.165% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  24.32 +/- 2.52   0.097% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 0.811, support = 4.84, residual support = 155.9:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.76 +/- 0.58  30.585% * 63.8684% (1.00  10.0 10.00   5.14 153.21) =  61.439%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.51 +/- 0.51  37.651% * 32.5421% (0.51  10.0 10.00   4.35 160.32) =  38.537%  kept
        T HG3   LYS+  65 - QE    LYS+  33  16.88 +/- 3.16   0.243% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 102 - QE    LYS+  33  18.36 +/- 4.71   0.130% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - QE    LYS+  33  11.87 +/- 3.49   1.049% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QE    LYS+  33  10.80 +/- 2.93   0.761% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QE    LYS+  65  17.88 +/- 2.94   0.138% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  33  19.68 +/- 2.36   0.085% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HB2   ASP-  76  18.53 +/- 3.74   0.467% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HB2   ASP-  76  13.85 +/- 3.52   0.366% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  65  11.94 +/- 2.02   1.033% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  65  19.49 +/- 2.28   0.105% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  12.63 +/- 1.59   0.352% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB2   ASP-  76   6.45 +/- 1.77  12.197% *  0.0015% (0.02   1.0  1.00   0.02   1.32) =   0.001%
          HB2   LYS+ 112 - QE    LYS+  65  15.88 +/- 2.53   0.595% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  24.70 +/- 2.81   0.053% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HB2   ASP-  76  19.64 +/- 3.04   0.133% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.01 +/- 2.86   1.292% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.87 +/- 1.48   0.367% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  13.11 +/- 3.15   0.333% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  23.92 +/- 3.41   0.108% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  12.77 +/- 3.09   1.149% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.46 +/- 1.74   3.001% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.30 +/- 2.73   0.444% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  10.38 +/- 2.81   0.787% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.75 +/- 4.44   0.813% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.51 +/- 1.77   0.658% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  16.93 +/- 3.12   0.168% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   8.53 +/- 1.09   1.638% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  24.94 +/- 3.91   0.060% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  14.21 +/- 2.99   0.280% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  16.67 +/- 2.33   0.159% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  19.01 +/- 5.11   0.156% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  15.44 +/- 2.66   0.457% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  20.36 +/- 4.74   0.203% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  20.37 +/- 3.63   0.127% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  16.91 +/- 4.25   0.337% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  20.67 +/- 2.88   0.098% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  16.01 +/- 3.55   0.204% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.74 +/- 2.64   0.615% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  20.65 +/- 3.51   0.123% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.42 +/- 2.62   0.123% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  22.68 +/- 4.48   0.075% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.02 +/- 2.47   0.226% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  24.54 +/- 3.77   0.056% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 153.2:
    * O T QD    LYS+  33 - QE    LYS+  33   2.10 +/- 0.03  81.458% * 97.4730% (1.00  10.0 10.00   4.22 153.21) =  99.987%  kept
          QB    ALA   57 - QE    LYS+  65   8.70 +/- 3.22   5.774% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - QE    LYS+  65  20.43 +/- 3.70   0.426% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - QE    LYS+  33  20.73 +/- 5.44   1.760% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - QE    LYS+  65  15.99 +/- 2.98   0.315% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QE    LYS+  65   9.30 +/- 3.81   3.278% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  33  27.32 +/- 3.19   0.043% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.94 +/- 5.51   0.289% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.49 +/- 1.73   3.853% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  18.02 +/- 3.18   0.187% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.78 +/- 2.94   0.391% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.95 +/- 3.01   0.193% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  15.80 +/- 3.08   0.288% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  12.59 +/- 4.20   0.897% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  13.47 +/- 3.14   0.559% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  25.51 +/- 3.68   0.062% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  25.79 +/- 2.92   0.050% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  17.89 +/- 3.11   0.176% *  0.0029% (0.03   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 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 = 24.9:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  74.171% * 97.8811% (0.80  10.0 10.00   1.93  24.97) =  99.563%  kept
          QG2   THR   39 - HA    ALA   34   4.92 +/- 1.64  20.791% *  1.5190% (0.25   1.0  1.00   1.00   3.39) =   0.433%  kept
          HG3   LYS+  38 - HA    ALA   34   7.70 +/- 1.56   2.758% *  0.0574% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   34 - HA    ALA  124  18.13 +/- 4.65   0.379% *  0.2247% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  13.62 +/- 1.40   0.328% *  0.1082% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  18.87 +/- 2.72   0.180% *  0.0793% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.14 +/- 1.95   0.164% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  15.99 +/- 5.49   0.534% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  24.61 +/- 5.59   0.144% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  16.31 +/- 1.68   0.185% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.14 +/- 2.30   0.089% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  22.67 +/- 7.00   0.136% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  22.10 +/- 2.35   0.082% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  23.71 +/- 1.63   0.056% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.0:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  83.575% * 98.8230% (0.80  10.0 10.00   1.93  24.97) =  99.983%  kept
          HA1   GLY  101 - QB    ALA   34  10.03 +/- 5.69   8.260% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          HA    ASN   28 - QB    ALA   34   6.77 +/- 0.59   2.897% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ALA  124 - QB    ALA   34  18.13 +/- 4.65   0.448% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLU-  36 - QB    ALA   34   6.59 +/- 0.16   2.832% *  0.0170% (0.14   1.0  1.00   0.02   0.30) =   0.001%
          HA    LEU  115 - QB    ALA   34  15.59 +/- 2.52   0.341% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.22 +/- 1.10   1.195% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  19.00 +/- 2.23   0.136% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  18.56 +/- 2.36   0.163% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  19.28 +/- 3.34   0.153% *  0.0245% (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 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 54.8:
    * O T HB2   ASN   35 - HA    ASN   35   2.66 +/- 0.16  78.635% * 98.4270% (1.00  10.0 10.00   4.04  54.84) =  99.976%  kept
        T HB2   ASN   35 - HA    LEU   40  10.27 +/- 1.77   2.521% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   ASN   28 - HA    ASN   35  13.55 +/- 0.90   0.638% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   ASN   35 - HA    GLU-  15  15.10 +/- 3.39   1.150% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.003%
          QE    LYS+  33 - HA    ASN   35   7.90 +/- 0.96   4.778% *  0.0336% (0.34   1.0  1.00   0.02   4.80) =   0.002%
        T HB2   ASN   28 - HA    LEU   40  16.29 +/- 2.63   0.561% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    GLU-  15  17.55 +/- 2.89   0.503% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASN   35  19.17 +/- 4.42   0.599% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   9.68 +/- 3.27   4.948% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.60 +/- 1.11   1.585% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  26.37 +/- 6.92   0.168% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.39 +/- 1.87   0.398% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  19.24 +/- 3.36   0.304% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  23.37 +/- 6.02   0.211% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  14.07 +/- 1.96   0.677% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  16.20 +/- 3.45   0.480% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  18.30 +/- 3.09   0.305% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.84 +/- 2.54   0.727% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  30.06 +/- 8.27   0.163% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  19.52 +/- 3.53   0.385% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  23.05 +/- 4.05   0.263% *  0.0025% (0.03   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 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   2.34 +/- 0.17  96.385% * 98.9106% (1.00  10.0 10.00   5.56  86.28) =  99.992%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.24 +/- 1.26   0.767% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          HG3   GLU- 100 - HA    GLU-  36  12.92 +/- 6.45   2.205% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.36 +/- 1.44   0.503% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.20 +/- 3.15   0.099% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  33.68 +/- 4.04   0.041% *  0.0679% (0.69   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 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   3.23 +/- 0.82  98.472% * 99.8378% (1.00  10.0 10.00   3.62  86.28) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  19.80 +/- 2.54   0.673% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    GLU-  36  23.00 +/- 4.33   0.471% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  29.57 +/- 6.93   0.384% *  0.0175% (0.18   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 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   3.40 +/- 0.42  97.381% * 99.2256% (1.00  10.0 10.00   3.62  86.28) =  99.995%  kept
        T QB    MET   11 - HA    GLU-  36  18.17 +/- 3.93   1.108% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          QG    GLU- 114 - HA    GLU-  36  24.25 +/- 3.46   0.412% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.37 +/- 2.86   0.288% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  20.28 +/- 1.36   0.512% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  30.28 +/- 3.74   0.170% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  32.98 +/- 3.64   0.130% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.3:
    * O T HA    GLU-  36 - HG2   GLU-  36   3.23 +/- 0.82  97.835% * 99.7630% (1.00  10.0 10.00   3.62  86.28) =  99.999%  kept
          HA    ALA  124 - HG2   GLU-  36  25.25 +/- 6.37   0.558% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  19.77 +/- 4.21   1.188% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  29.45 +/- 3.56   0.223% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  29.33 +/- 2.96   0.195% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 86.3:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.38 +/- 0.16  96.652% * 98.9106% (1.00  10.0 10.00   4.29  86.28) =  99.988%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.80 +/- 2.07   1.278% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.011%
          HG3   GLU-  29 - HG2   GLU-  36  12.96 +/- 2.07   0.779% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  14.29 +/- 6.00   1.159% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  25.21 +/- 2.76   0.094% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  33.97 +/- 3.17   0.037% *  0.0679% (0.69   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 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  99.589% * 99.2256% (1.00  10.0 10.00   3.00  86.28) =  99.999%  kept
        T QB    MET   11 - HG2   GLU-  36  17.34 +/- 4.48   0.201% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG2   GLU-  36  24.88 +/- 3.47   0.046% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  19.11 +/- 2.29   0.088% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  25.40 +/- 2.41   0.036% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  30.64 +/- 3.23   0.022% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.16 +/- 3.11   0.016% *  0.0642% (0.65   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 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   3.40 +/- 0.42  93.919% * 99.6097% (1.00  10.0 10.00   3.62  86.28) =  99.997%  kept
        T HA    GLU-  36 - QB    MET   11  18.17 +/- 3.93   1.069% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   GLU-  36  24.80 +/- 6.42   1.964% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  66 - HG3   GLU-  36  19.69 +/- 4.25   0.845% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  29.61 +/- 3.66   0.184% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  29.22 +/- 3.05   0.176% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  31.63 +/- 6.20   0.360% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  26.49 +/- 5.14   0.394% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.39 +/- 4.70   0.844% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.26 +/- 5.09   0.246% *  0.0065% (0.07   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 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 86.3:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.37 +/- 0.16  94.666% * 99.4418% (1.00  10.0  1.00   4.29  86.28) =  99.997%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.75 +/- 1.88   1.513% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  12.92 +/- 1.89   0.801% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  14.34 +/- 6.28   1.285% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  27.57 +/- 5.41   0.135% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  25.35 +/- 2.92   0.095% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.75 +/- 3.63   0.535% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  35.11 +/- 6.37   0.072% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  18.81 +/- 4.26   0.332% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  34.04 +/- 3.44   0.038% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  20.06 +/- 4.72   0.387% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  24.66 +/- 6.31   0.141% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.3:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.475% * 99.6937% (1.00  10.0 10.00   3.00  86.28) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  17.34 +/- 4.48   0.201% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.59 +/- 2.93   0.074% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  22.91 +/- 3.76   0.072% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  30.13 +/- 6.64   0.037% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  23.70 +/- 4.79   0.078% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.43 +/- 3.26   0.033% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  33.45 +/- 7.00   0.030% *  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 = 29.7:
    * O T HB2   SER   37 - HA    SER   37   2.86 +/- 0.24  62.192% * 98.0025% (1.00  10.0 10.00   2.58  29.70) =  99.965%  kept
          HA1   GLY   16 - HA    SER   37  13.01 +/- 4.42   8.253% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.011%
          HA    VAL   70 - HA    SER   37  10.93 +/- 2.74   9.852% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.008%
        T HB2   SER   37 - HA    SER   13  14.73 +/- 3.35   0.730% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.006%
          HA    LYS+  33 - HA    SER   37   6.23 +/- 1.20  13.849% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   SER   37 - HA    THR   46  23.42 +/- 2.46   0.120% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13  10.22 +/- 1.06   1.585% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  15.38 +/- 1.56   0.501% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.44 +/- 3.75   1.565% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  23.34 +/- 6.05   0.201% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  17.72 +/- 1.68   0.296% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  16.11 +/- 2.99   0.453% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  23.81 +/- 4.70   0.202% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  26.96 +/- 3.97   0.100% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.96 +/- 1.82   0.100% *  0.0216% (0.22   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 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.66, support = 2.34, residual support = 21.2:
    * O T HB3   SER   37 - HA    SER   37   2.66 +/- 0.22  38.376% * 66.5930% (0.84  10.0 10.00   2.58  29.70) =  64.025%  kept
      O T QB    SER   13 - HA    SER   13   2.38 +/- 0.15  51.499% * 27.5597% (0.35  10.0 10.00   1.93   6.23) =  35.558%  kept
          HB    THR   39 - HA    SER   37   5.78 +/- 0.96   4.848% *  3.2836% (0.69   1.0  1.00   1.20   4.43) =   0.399%  kept
        T QB    SER   13 - HA    SER   37  13.53 +/- 3.61   0.505% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.007%
          HA    ILE   89 - HA    THR   46   9.58 +/- 2.85   2.669% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   SER   37 - HA    SER   13  14.83 +/- 3.67   0.329% *  0.3558% (0.45   1.0 10.00   0.02   0.02) =   0.003%
        T QB    SER   13 - HA    THR   46  25.33 +/- 3.34   0.084% *  0.5110% (0.64   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.30 +/- 2.46   0.062% *  0.6598% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    SER   37  20.93 +/- 5.21   0.379% *  0.0795% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  14.96 +/- 1.88   0.228% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.30 +/- 2.92   0.358% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.53 +/- 4.15   0.298% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.15 +/- 1.38   0.065% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  34.54 +/- 6.95   0.089% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  25.76 +/- 3.51   0.054% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  30.63 +/- 4.73   0.032% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  27.75 +/- 5.66   0.049% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  31.82 +/- 7.86   0.077% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 29.7:
    * O T HA    SER   37 - HB2   SER   37   2.86 +/- 0.24  82.838% * 98.1694% (1.00  10.0 10.00   2.58  29.70) =  99.980%  kept
        T HA    SER   13 - HB2   SER   37  14.73 +/- 3.35   0.945% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLN   17 - HB2   SER   37  12.92 +/- 3.39   3.962% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - HB2   SER   37  11.07 +/- 4.09   4.192% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HB2   SER   37   7.51 +/- 1.13   5.362% *  0.0368% (0.38   1.0  1.00   0.02   0.71) =   0.002%
        T HA    THR   46 - HB2   SER   37  23.42 +/- 2.46   0.162% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.47 +/- 2.07   1.710% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  21.57 +/- 4.14   0.830% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 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 = 0.834, support = 1.99, residual support = 29.4:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  83.436% * 93.2813% (0.84  10.0 10.00   2.00  29.70) =  98.828%  kept
          HB    THR   39 - HB2   SER   37   4.56 +/- 1.97  16.005% *  5.7534% (0.69   1.0  1.00   1.50   4.43) =   1.169%  kept
        T QB    SER   13 - HB2   SER   37  13.42 +/- 3.03   0.313% *  0.7225% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR  118 - HB2   SER   37  19.30 +/- 4.98   0.183% *  0.1114% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  28.74 +/- 4.26   0.024% *  0.0933% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  26.18 +/- 5.62   0.040% *  0.0381% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.661, support = 2.34, residual support = 21.1:
    * O T HA    SER   37 - HB3   SER   37   2.66 +/- 0.22  38.456% * 68.0513% (0.84  10.0 10.00   2.58  29.70) =  63.200%  kept
      O T HA    SER   13 - QB    SER   13   2.38 +/- 0.15  51.656% * 29.4827% (0.36  10.0 10.00   1.93   6.23) =  36.780%  kept
        T HA    SER   37 - QB    SER   13  13.53 +/- 3.61   0.506% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.006%
        T HA    SER   13 - HB3   SER   37  14.83 +/- 3.67   0.330% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   17 - HB3   SER   37  13.50 +/- 3.39   1.381% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - QB    SER   13   6.70 +/- 0.63   2.544% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   SER   37  11.45 +/- 4.27   1.693% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T HA    THR   46 - QB    SER   13  25.33 +/- 3.34   0.085% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.30 +/- 2.46   0.062% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13  10.28 +/- 1.20   0.768% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   SER   37   8.59 +/- 1.09   1.273% *  0.0255% (0.31   1.0  1.00   0.02   0.71) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.45 +/- 1.92   0.643% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   SER   37  22.54 +/- 4.06   0.239% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.43 +/- 1.84   0.173% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  19.15 +/- 1.75   0.106% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.26 +/- 3.36   0.087% *  0.0274% (0.34   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 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  85.783% * 98.1382% (0.84  10.0 10.00   2.00  29.70) =  99.973%  kept
        T HA    VAL   70 - HB3   SER   37  10.17 +/- 2.92   3.057% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.017%
          HA1   GLY   16 - HB3   SER   37  12.45 +/- 4.27   4.084% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   SER   37 - QB    SER   13  13.42 +/- 3.03   0.322% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  33 - HB3   SER   37   5.67 +/- 1.45   5.053% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - QB    SER   13  14.40 +/- 2.57   0.205% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.37 +/- 0.92   0.640% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  13.97 +/- 3.68   0.755% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  23.15 +/- 4.60   0.061% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  24.23 +/- 3.68   0.041% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.91, residual support = 221.2:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.83 +/- 0.17  77.122% * 99.6880% (1.00  10.0 10.00   6.91 221.19) =  99.989%  kept
        T HB2   LYS+  38 - HA    GLU- 100  10.96 +/- 6.99  10.581% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.008%
          HB    VAL   70 - HA    LYS+  38  11.15 +/- 2.75   3.549% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    LYS+  38  15.85 +/- 2.10   0.614% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    LYS+  38  14.05 +/- 3.29   1.406% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  13.73 +/- 2.13   0.957% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.79 +/- 1.89   0.262% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  29.94 +/- 4.13   0.082% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  18.15 +/- 5.92   0.981% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.92 +/- 6.46   1.597% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.81 +/- 5.76   1.084% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.20 +/- 6.35   0.808% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  15.99 +/- 5.95   0.858% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  28.95 +/- 4.38   0.099% *  0.0032% (0.03   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 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   2.63 +/- 0.22  69.885% * 98.2125% (1.00  10.0 10.00   5.89 221.19) =  99.974%  kept
        T HB3   LYS+  38 - HA    GLU- 100  10.37 +/- 7.24  16.633% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.014%
        T HB3   PRO   58 - HA    LYS+  38  22.95 +/- 3.99   0.420% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   PRO   68 - HA    LYS+  38  15.53 +/- 2.81   0.614% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HA    LYS+  38  11.11 +/- 1.63   1.401% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    LYS+  38   8.15 +/- 1.04   2.960% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   ARG+  54 - HA    LYS+  38  27.23 +/- 3.12   0.086% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  23.70 +/- 3.43   0.196% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  17.34 +/- 1.51   0.268% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  15.79 +/- 3.45   0.512% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.55 +/- 2.28   0.336% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  14.11 +/- 5.39   1.565% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  25.83 +/- 2.89   0.104% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.00 +/- 4.30   0.120% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  12.49 +/- 4.97   1.507% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.07 +/- 2.89   0.079% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  29.84 +/- 4.07   0.062% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.37 +/- 0.88   1.426% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.18 +/- 0.83   0.502% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.36 +/- 0.85   0.609% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  24.80 +/- 2.48   0.097% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.19 +/- 4.49   0.145% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  25.42 +/- 1.30   0.087% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  20.32 +/- 6.08   0.250% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  28.82 +/- 4.23   0.073% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  28.89 +/- 2.98   0.060% *  0.0017% (0.02   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 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.977, support = 6.86, residual support = 216.3:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.68 +/- 0.68  46.631% * 91.5043% (1.00  10.0 10.00   6.92 221.19) =  97.425%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.39 +/- 0.56  16.752% *  5.4198% (0.06   1.0 10.00   5.83  38.37) =   2.073%  kept
        T HG2   LYS+  38 - HA    GLU- 100  10.27 +/- 6.97   9.740% *  1.7382% (0.06   1.0 10.00   0.63   0.02) =   0.387%  kept
        T HG2   LYS+  99 - HA    LYS+  38  10.54 +/- 6.05   5.343% *  0.8969% (0.98   1.0 10.00   0.02   0.02) =   0.109%  kept
          HB2   LEU   31 - HA    LYS+  38  10.55 +/- 1.59   1.980% *  0.0664% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    LYS+  38  11.83 +/- 4.13   1.920% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    GLU- 100  13.07 +/- 5.26   6.390% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+  38  16.05 +/- 2.77   0.379% *  0.0410% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  18.55 +/- 2.05   0.240% *  0.0410% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  17.53 +/- 1.97   0.287% *  0.0312% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  25.24 +/- 4.66   0.107% *  0.0764% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.13 +/- 1.75   8.399% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  23.42 +/- 5.21   0.126% *  0.0518% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  26.65 +/- 3.50   0.081% *  0.0733% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  18.14 +/- 5.46   0.286% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  23.18 +/- 6.16   0.175% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.42 +/- 3.97   0.236% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.81 +/- 2.05   0.207% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.63 +/- 2.19   0.225% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  22.98 +/- 5.12   0.124% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  20.71 +/- 6.32   0.294% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  25.53 +/- 3.74   0.078% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.08 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.983, support = 6.65, residual support = 202.6:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.36 +/- 0.54  26.726% * 78.6603% (1.00  10.0 10.00   6.90 221.19) =  90.423%  kept
          QG2   THR   39 - HA    LYS+  38   4.97 +/- 0.66  10.761% * 16.7794% (0.90   1.0  1.00   4.76  30.35) =   7.766%  kept
          QB    ALA   34 - HA    LYS+  38   4.91 +/- 1.10  11.717% *  2.1331% (0.80   1.0  1.00   0.68   0.02) =   1.075%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.23 +/- 0.60   8.393% *  1.7839% (0.02   1.0 10.00   4.97  38.37) =   0.644%  kept
        T HG3   LYS+  99 - HA    LYS+  38  10.84 +/- 6.18   4.735% *  0.2952% (0.38   1.0 10.00   0.02   0.02) =   0.060%
        T HG3   LYS+  38 - HA    GLU- 100  10.75 +/- 7.25   9.861% *  0.0475% (0.06   1.0 10.00   0.02   0.02) =   0.020%
          HG    LEU   71 - HA    LYS+  38   9.09 +/- 3.05   4.456% *  0.0243% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   34 - HA    GLU- 100   8.76 +/- 5.08  11.005% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  38  12.51 +/- 2.46   0.787% *  0.0445% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE   56 - HA    LYS+  38  19.62 +/- 3.36   0.410% *  0.0744% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100   9.13 +/- 5.98   6.728% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    LYS+  38  17.22 +/- 3.38   0.376% *  0.0268% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  22.36 +/- 2.51   0.122% *  0.0705% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  17.58 +/- 1.31   0.213% *  0.0353% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.41 +/- 5.42   1.868% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.77 +/- 6.21   0.537% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  15.13 +/- 6.52   0.826% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.46 +/- 2.19   0.142% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.00 +/- 1.87   0.110% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.29 +/- 4.38   0.228% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.01, residual support = 221.1:
    *   T QD    LYS+  38 - HA    LYS+  38   3.46 +/- 0.65  60.928% * 97.0123% (1.00 10.00   6.01 221.19) =  99.941%  kept
        T QD    LYS+  38 - HA    GLU- 100   9.38 +/- 6.18  21.475% *  0.0586% (0.06 10.00   0.02   0.02) =   0.021%
        T QD    LYS+  65 - HA    LYS+  38  18.53 +/- 3.34   1.053% *  0.8955% (0.92 10.00   0.02   0.02) =   0.016%
        T HD2   LYS+  74 - HA    LYS+  38  17.32 +/- 3.43   1.198% *  0.3309% (0.34 10.00   0.02   0.02) =   0.007%
        T HB    VAL   83 - HA    LYS+  38  24.03 +/- 5.59   0.347% *  0.9362% (0.97 10.00   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HA    LYS+  38  13.97 +/- 4.80   3.461% *  0.0777% (0.80  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 121 - HA    LYS+  38  17.76 +/- 5.26   1.029% *  0.0870% (0.90  1.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HA    LYS+  38  27.36 +/- 4.05   0.207% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+  38  20.57 +/- 5.86   0.634% *  0.0549% (0.57  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.26 +/- 0.76   5.492% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  23.72 +/- 3.73   0.432% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  23.09 +/- 5.94   0.396% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.22 +/- 3.78   0.365% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.52 +/- 4.43   0.553% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  20.26 +/- 6.54   1.036% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  24.99 +/- 3.10   0.244% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  26.15 +/- 4.28   0.290% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  23.85 +/- 6.65   0.452% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  24.46 +/- 1.71   0.210% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  24.78 +/- 1.22   0.200% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.12 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 221.1:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.83 +/- 0.17  87.331% * 99.6785% (1.00  10.0 10.00   6.91 221.19) =  99.969%  kept
        T HA    GLU- 100 - HB2   LYS+  38  10.96 +/- 6.99  11.965% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.030%
          HA    VAL   24 - HB2   LYS+  38  18.94 +/- 1.47   0.323% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  27.06 +/- 6.56   0.187% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  25.51 +/- 3.36   0.195% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.74, residual support = 221.2:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  97.843% * 98.9214% (1.00  10.0 10.00   5.74 221.19) =  99.999%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.66 +/- 1.00   1.033% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  12.54 +/- 1.49   0.327% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  31.79 +/- 3.99   0.019% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.03 +/- 3.24   0.252% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  19.13 +/- 1.70   0.082% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  24.43 +/- 3.98   0.077% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  25.47 +/- 3.45   0.045% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  17.66 +/- 3.27   0.131% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.29 +/- 2.45   0.098% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  27.90 +/- 2.80   0.028% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  25.56 +/- 4.31   0.041% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  28.91 +/- 2.89   0.025% *  0.0275% (0.28   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 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 221.1:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.67 +/- 0.15  90.933% * 98.5858% (1.00  10.0 10.00   6.75 221.19) =  99.950%  kept
        T HG2   LYS+  99 - HB2   LYS+  38  11.95 +/- 6.07   4.432% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.048%
          HB2   LEU   31 - HB2   LYS+  38  11.99 +/- 1.55   1.335% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+  38  17.62 +/- 2.96   0.482% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.81 +/- 4.15   1.193% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  18.78 +/- 6.06   0.691% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  20.17 +/- 2.41   0.254% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  26.88 +/- 4.86   0.123% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  19.42 +/- 2.26   0.289% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  28.50 +/- 3.91   0.114% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  25.27 +/- 5.28   0.154% *  0.0558% (0.57   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 6.24, residual support = 214.5:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.58 +/- 0.35  69.793% * 80.5622% (1.00  10.0 10.00   6.32 221.19) =  96.583%  kept
          QG2   THR   39 - HB2   LYS+  38   5.54 +/- 0.89  10.407% * 16.2246% (0.90   1.0  1.00   4.49  30.35) =   2.900%  kept
          QB    ALA   34 - HB2   LYS+  38   6.36 +/- 0.98  10.990% *  2.6283% (0.80   1.0  1.00   0.81   0.02) =   0.496%  kept
        T HG3   LYS+  99 - HB2   LYS+  38  12.17 +/- 6.34   3.302% *  0.3024% (0.38   1.0 10.00   0.02   0.02) =   0.017%
          HG    LEU   71 - HB2   LYS+  38  10.08 +/- 3.12   3.172% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  13.55 +/- 2.87   1.486% *  0.0456% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  38  21.13 +/- 3.38   0.200% *  0.0762% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  18.84 +/- 3.63   0.337% *  0.0275% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  18.65 +/- 1.37   0.210% *  0.0361% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  23.99 +/- 2.48   0.103% *  0.0723% (0.90   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 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.89, residual support = 221.1:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.63 +/- 0.22  80.360% * 99.5407% (1.00  10.0 10.00   5.89 221.19) =  99.947%  kept
        T HA    GLU- 100 - HB3   LYS+  38  10.37 +/- 7.24  19.102% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.053%
        T HD2   PRO   58 - HB3   LYS+  38  24.91 +/- 3.16   0.169% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HB3   LYS+  38  19.27 +/- 1.58   0.221% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  26.48 +/- 6.66   0.148% *  0.0197% (0.20   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 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 221.2:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  98.560% * 99.2933% (1.00  10.0 10.00   5.74 221.19) =  99.999%  kept
          HB    VAL   70 - HB3   LYS+  38  11.96 +/- 2.60   0.597% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  31.24 +/- 4.05   0.021% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  17.71 +/- 2.27   0.145% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  14.79 +/- 3.54   0.374% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  15.48 +/- 2.23   0.240% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  21.65 +/- 2.28   0.063% *  0.0339% (0.34   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 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 = 220.9:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.99 +/- 0.12  81.106% * 98.5858% (1.00  10.0 10.00   5.64 221.19) =  99.853%  kept
        T HG2   LYS+  99 - HB3   LYS+  38  11.13 +/- 6.43  11.851% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.143%  kept
          HB2   LEU   31 - HB3   LYS+  38  12.47 +/- 1.79   1.864% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HB3   LYS+  38  13.07 +/- 4.42   2.238% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  17.08 +/- 2.72   0.638% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  18.19 +/- 6.15   1.049% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  19.68 +/- 2.34   0.340% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  26.31 +/- 4.89   0.177% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  18.80 +/- 2.08   0.388% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  24.78 +/- 5.51   0.224% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  27.62 +/- 3.73   0.124% *  0.0789% (0.80   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 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 5.46, residual support = 215.5:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.63 +/- 0.14  64.630% * 82.9393% (1.00  10.0 10.00   5.52 221.19) =  97.025%  kept
          QG2   THR   39 - HB3   LYS+  38   5.49 +/- 0.83  10.678% * 14.3629% (0.90   1.0  1.00   3.86  30.35) =   2.776%  kept
          QB    ALA   34 - HB3   LYS+  38   6.64 +/- 0.97   5.014% *  1.3895% (0.80   1.0  1.00   0.42   0.02) =   0.126%  kept
        T HG3   LYS+  99 - HB3   LYS+  38  11.34 +/- 6.70  11.338% *  0.3113% (0.38   1.0 10.00   0.02   0.02) =   0.064%
        T QG2   ILE   56 - HB3   LYS+  38  20.54 +/- 3.30   0.318% *  0.7846% (0.95   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   71 - HB3   LYS+  38   9.83 +/- 3.47   6.360% *  0.0256% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HB3   LYS+  38  13.85 +/- 3.07   1.029% *  0.0470% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB3   LYS+  38  18.54 +/- 3.53   0.343% *  0.0283% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  23.44 +/- 2.43   0.107% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.07 +/- 1.55   0.182% *  0.0372% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 221.2:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.45 +/- 0.33  95.400% * 98.0597% (1.00  10.0 10.00   4.63 221.19) =  99.991%  kept
        T QD    LYS+  65 - HB3   LYS+  38  19.39 +/- 3.42   0.428% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HB3   LYS+  38  14.54 +/- 5.04   2.148% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HB3   LYS+  38  18.61 +/- 3.61   0.341% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LYS+  38  18.25 +/- 5.78   0.793% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LYS+  38  28.30 +/- 4.16   0.144% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  21.00 +/- 6.54   0.359% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  25.37 +/- 5.90   0.144% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  24.98 +/- 3.66   0.147% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  26.32 +/- 2.95   0.097% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.969, support = 6.81, residual support = 214.2:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.68 +/- 0.68  58.289% * 88.1322% (1.00  10.0 10.00   6.92 221.19) =  96.461%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.39 +/- 0.56  21.042% *  5.3474% (0.06   1.0 10.00   5.83  38.37) =   2.113%  kept
        T HA    GLU- 100 - HG2   LYS+  38  10.27 +/- 6.97  12.054% *  6.1681% (0.22   1.0 10.00   0.63   0.02) =   1.396%  kept
        T HA    LYS+  38 - HG2   LYS+  99  10.54 +/- 6.05   6.605% *  0.2402% (0.27   1.0 10.00   0.02   0.02) =   0.030%
          HA    VAL   24 - HG2   LYS+  99  18.91 +/- 5.85   1.247% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  38  18.71 +/- 1.61   0.241% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  26.71 +/- 6.89   0.122% *  0.0174% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  25.47 +/- 3.66   0.105% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  24.21 +/- 6.27   0.149% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.22 +/- 2.77   0.146% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.75, residual support = 221.2:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.67 +/- 0.15  85.972% * 99.4277% (1.00  10.0 10.00   6.75 221.19) =  99.985%  kept
        T HB2   LYS+  38 - HG2   LYS+  99  11.95 +/- 6.07   4.190% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.013%
          HB    VAL   70 - HG2   LYS+  38  12.50 +/- 3.28   2.892% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG2   LYS+  38  16.76 +/- 1.89   0.408% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  14.85 +/- 3.54   1.043% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  14.54 +/- 1.70   0.624% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.32 +/- 5.89   0.673% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  14.90 +/- 6.32   1.393% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.02 +/- 6.40   0.757% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.88 +/- 2.06   0.202% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.01 +/- 5.63   0.739% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.60 +/- 6.28   0.955% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  31.63 +/- 4.26   0.066% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  28.98 +/- 3.62   0.085% *  0.0143% (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 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 221.1:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.99 +/- 0.12  70.937% * 98.9095% (1.00  10.0 10.00   5.64 221.19) =  99.952%  kept
        T HB3   LYS+  38 - HG2   LYS+  99  11.13 +/- 6.43  10.377% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.040%
          HB3   GLN   30 - HG2   LYS+  38  12.38 +/- 1.91   1.449% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG2   LYS+  38   8.83 +/- 0.85   3.307% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  99  14.95 +/- 5.31   2.377% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  38  16.27 +/- 3.54   1.335% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  24.48 +/- 4.37   0.338% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.78 +/- 1.50   0.310% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  25.36 +/- 3.70   0.193% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.81 +/- 0.90   0.962% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99   9.81 +/- 1.05   2.303% *  0.0067% (0.07   1.0  1.00   0.02   0.70) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  13.44 +/- 4.64   1.393% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.71 +/- 1.03   1.741% *  0.0083% (0.08   1.0  1.00   0.02   0.52) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  17.18 +/- 3.40   0.544% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.04 +/- 2.21   0.367% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  27.66 +/- 3.10   0.115% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  25.32 +/- 4.55   0.156% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.91 +/- 2.68   0.187% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  18.80 +/- 6.89   0.721% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  31.53 +/- 4.18   0.075% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.12 +/- 4.04   0.226% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.72 +/- 1.28   0.131% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  28.79 +/- 3.45   0.100% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.18 +/- 3.05   0.155% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  28.85 +/- 3.45   0.093% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  27.55 +/- 3.16   0.108% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.916, support = 6.54, residual support = 215.4:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  44.660% * 74.8104% (1.00  10.0 10.00   6.56 221.19) =  90.037%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  44.660% *  7.6519% (0.10  10.0 10.00   6.52 173.87) =   9.209%  kept
          QG2   THR   39 - HG2   LYS+  38   6.02 +/- 1.13   1.820% * 14.2796% (0.90   1.0  1.00   4.26  30.35) =   0.701%  kept
        T HG3   LYS+  99 - HG2   LYS+  38  11.88 +/- 6.05   0.675% *  2.3335% (0.38   1.0 10.00   0.17   0.02) =   0.042%
          QB    ALA   34 - HG2   LYS+  38   6.09 +/- 1.26   2.540% *  0.0599% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+  38 - HG2   LYS+  99  11.92 +/- 6.22   0.638% *  0.2039% (0.27   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   39 - HG2   LYS+  99   8.89 +/- 5.72   2.023% *  0.0183% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG2   LYS+  38  13.63 +/- 2.83   0.532% *  0.0424% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HG2   LYS+  99   9.52 +/- 4.56   1.025% *  0.0163% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  18.84 +/- 3.70   0.057% *  0.2552% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  10.56 +/- 3.05   0.508% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  21.01 +/- 3.57   0.063% *  0.0708% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.33 +/- 4.40   0.057% *  0.0695% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.56 +/- 6.44   0.214% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  14.76 +/- 6.36   0.238% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  18.99 +/- 5.57   0.160% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  23.83 +/- 2.66   0.021% *  0.0671% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  18.59 +/- 1.52   0.040% *  0.0335% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.03 +/- 2.48   0.044% *  0.0193% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.69 +/- 1.59   0.025% *  0.0183% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 221.1:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.37 +/- 0.15  85.901% * 96.4250% (1.00  10.0 10.00   5.75 221.19) =  99.954%  kept
        T QD    LYS+  38 - HG2   LYS+  99  10.34 +/- 5.41   6.436% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.020%
        T QD    LYS+ 102 - HG2   LYS+  38  14.65 +/- 4.92   0.968% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  65 - HG2   LYS+  38  19.68 +/- 4.05   0.613% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+ 102 - HG2   LYS+  99   8.35 +/- 1.20   2.459% *  0.2104% (0.22   1.0 10.00   0.02   1.55) =   0.006%
        T HD2   LYS+  74 - HG2   LYS+  38  18.94 +/- 3.78   0.351% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  99  20.32 +/- 3.84   0.210% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG2   LYS+  38  19.13 +/- 5.53   0.326% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  17.41 +/- 7.14   1.086% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  29.04 +/- 4.24   0.063% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  20.69 +/- 4.34   0.203% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  23.93 +/- 4.06   0.149% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  22.02 +/- 6.19   0.208% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  25.56 +/- 6.07   0.119% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  25.50 +/- 4.25   0.163% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  20.94 +/- 7.25   0.350% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  23.81 +/- 4.92   0.124% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  26.82 +/- 3.36   0.087% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.34 +/- 1.53   0.095% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  23.94 +/- 1.26   0.088% *  0.0059% (0.06   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 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 6.88, residual support = 219.6:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.36 +/- 0.54  52.466% * 97.3136% (1.00  10.0 10.00   6.90 221.19) =  99.153%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.23 +/- 0.60  17.193% *  2.2608% (0.02   1.0 10.00   4.97  38.37) =   0.755%  kept
        T HA    GLU- 100 - HG3   LYS+  38  10.75 +/- 7.25  17.134% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.072%
        T HA    LYS+  38 - HG3   LYS+  99  10.84 +/- 6.18  10.001% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.020%
          HA    VAL   24 - HG3   LYS+  38  19.66 +/- 1.72   0.321% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.08 +/- 5.91   2.071% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  27.18 +/- 6.98   0.171% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  25.86 +/- 3.48   0.192% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  24.27 +/- 6.06   0.262% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  23.95 +/- 2.70   0.189% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.32, residual support = 221.2:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.58 +/- 0.35  86.656% * 99.6340% (1.00  10.0 10.00   6.32 221.19) =  99.993%  kept
        T HB2   LYS+  38 - HG3   LYS+  99  12.17 +/- 6.34   4.086% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          QG    GLN   17 - HG3   LYS+  38  15.30 +/- 3.89   2.192% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   LYS+  38  12.83 +/- 3.16   2.650% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   LYS+  38  17.78 +/- 1.97   0.417% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.56 +/- 1.81   0.608% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.87 +/- 2.13   0.197% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  32.11 +/- 4.33   0.063% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  19.64 +/- 5.91   0.399% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  14.93 +/- 6.38   1.090% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.71 +/- 6.30   0.697% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.33 +/- 5.71   0.507% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  22.30 +/- 6.39   0.362% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  28.88 +/- 3.40   0.076% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 221.1:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.63 +/- 0.14  70.134% * 98.2474% (1.00  10.0 10.00   5.52 221.19) =  99.976%  kept
        T HB3   LYS+  38 - HG3   LYS+  99  11.34 +/- 6.70  12.170% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.018%
        T HB    ILE   56 - HG3   LYS+  38  25.74 +/- 3.55   0.115% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG3   LYS+  38   9.71 +/- 0.94   1.589% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  13.41 +/- 1.76   0.688% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  99  15.18 +/- 5.48   6.478% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  38  16.28 +/- 3.74   0.702% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.65 +/- 2.46   0.123% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  24.81 +/- 4.17   0.184% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  19.14 +/- 1.79   0.192% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  17.58 +/- 3.70   0.348% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.33 +/- 2.69   0.237% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.73 +/- 4.93   1.391% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  28.15 +/- 2.88   0.070% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  25.74 +/- 4.75   0.101% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99   9.69 +/- 1.54   2.082% *  0.0026% (0.03   1.0  1.00   0.02   0.70) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.56 +/- 1.20   0.754% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.35 +/- 1.12   1.462% *  0.0032% (0.03   1.0  1.00   0.02   0.52) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  32.01 +/- 4.37   0.047% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  29.20 +/- 3.49   0.063% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  18.64 +/- 7.02   0.591% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.16 +/- 3.93   0.147% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.61 +/- 1.24   0.091% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.93 +/- 3.15   0.110% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  28.75 +/- 3.24   0.062% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.28 +/- 2.92   0.072% *  0.0029% (0.03   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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.55, residual support = 216.8:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  47.878% * 89.3736% (1.00  10.0 10.00   6.56 221.19) =  90.707%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  47.878% *  9.1415% (0.10  10.0 10.00   6.52 173.87) =   9.278%  kept
        T HG2   LYS+  99 - HG3   LYS+  38  11.92 +/- 6.22   0.683% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   LYS+  38 - HG3   LYS+  99  11.88 +/- 6.05   0.723% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  12.52 +/- 1.87   0.203% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.93 +/- 4.45   0.226% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.52 +/- 4.89   0.425% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  18.05 +/- 3.17   0.070% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.08 +/- 5.97   0.127% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.11 +/- 3.63   0.031% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.47 +/- 1.52   1.152% *  0.0014% (0.02   1.0  1.00   0.02  17.73) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.90 +/- 5.30   0.020% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  20.29 +/- 2.57   0.037% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.49 +/- 5.80   0.025% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  19.81 +/- 2.42   0.040% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  28.64 +/- 3.78   0.013% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.86 +/- 6.97   0.236% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.24 +/- 5.59   0.041% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.65 +/- 4.41   0.071% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.79 +/- 1.70   0.043% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.86 +/- 1.97   0.052% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  23.90 +/- 3.83   0.024% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 221.1:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.31 +/- 0.13  76.154% * 97.6899% (1.00  10.0 10.00   5.57 221.19) =  99.966%  kept
        T QD    LYS+  38 - HG3   LYS+  99  10.47 +/- 5.69  15.730% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.022%
        T QD    LYS+  65 - HG3   LYS+  38  20.05 +/- 4.06   0.387% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - HG3   LYS+  99   8.20 +/- 1.74   3.858% *  0.0816% (0.08   1.0 10.00   0.02   1.55) =   0.004%
        T HD2   LYS+  74 - HG3   LYS+  38  19.42 +/- 4.16   0.251% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+  38  14.97 +/- 5.15   0.845% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  38  19.26 +/- 5.61   0.293% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  20.26 +/- 3.77   0.175% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  29.32 +/- 4.28   0.047% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  17.22 +/- 7.41   1.011% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  22.12 +/- 6.30   0.162% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  26.05 +/- 6.20   0.083% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  25.97 +/- 4.00   0.088% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.82 +/- 4.30   0.139% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  23.60 +/- 4.21   0.130% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  20.65 +/- 7.56   0.356% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  27.31 +/- 3.14   0.054% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  23.90 +/- 4.65   0.090% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.24 +/- 1.29   0.077% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  23.82 +/- 1.08   0.071% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 221.0:
    *   T HA    LYS+  38 - QD    LYS+  38   3.46 +/- 0.65  60.645% * 98.6212% (1.00 10.00   6.01 221.19) =  99.905%  kept
        T HA    GLU- 100 - QD    LYS+  38   9.38 +/- 6.18  21.388% *  0.2196% (0.22 10.00   0.02   0.02) =   0.078%
        T HA    LYS+  38 - HD2   LYS+  74  17.32 +/- 3.43   1.186% *  0.2163% (0.22 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - QD    LYS+  65  18.53 +/- 3.34   1.050% *  0.1802% (0.18 10.00   0.02   0.02) =   0.003%
        T HD2   PRO   58 - QD    LYS+  65  10.93 +/- 2.13   3.644% *  0.0278% (0.03 10.00   0.02   0.02) =   0.002%
        T HA    VAL   83 - QD    LYS+  38  23.81 +/- 6.56   0.425% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  22.78 +/- 3.44   0.388% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  17.80 +/- 1.98   0.658% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  16.56 +/- 2.84   0.953% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  14.87 +/- 2.65   1.148% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  65  19.42 +/- 4.09   0.899% *  0.0357% (0.04 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD2   LYS+  74  12.68 +/- 3.05   2.138% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.52 +/- 4.43   0.549% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  16.12 +/- 3.09   2.151% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  27.36 +/- 4.05   0.206% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.22 +/- 3.78   0.363% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  26.15 +/- 4.28   0.289% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.37 +/- 5.63   0.396% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  15.03 +/- 1.93   1.061% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  22.20 +/- 4.37   0.462% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 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 = 5.37, residual support = 221.2:
    * O   HB2   LYS+  38 - QD    LYS+  38   3.02 +/- 0.43  68.361% * 99.6020% (1.00  10.0   5.37 221.19) =  99.994%  kept
          HB    VAL   70 - QD    LYS+  38  11.37 +/- 3.09   7.652% *  0.0197% (0.20   1.0   0.02   0.02) =   0.002%
          QG    GLN   17 - QD    LYS+  38  13.95 +/- 3.49   2.234% *  0.0248% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  16.52 +/- 2.07   0.523% *  0.0723% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QD    LYS+  38  14.51 +/- 2.01   0.801% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  12.51 +/- 5.73   3.314% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  65  11.07 +/- 4.07   3.961% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  10.02 +/- 1.64   3.259% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  19.63 +/- 3.41   0.673% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  18.90 +/- 3.64   0.487% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.01 +/- 2.36   0.301% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.15 +/- 1.07   2.368% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  18.04 +/- 2.84   0.506% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  17.74 +/- 2.58   0.629% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  19.53 +/- 4.46   0.742% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  19.96 +/- 3.53   0.523% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  28.15 +/- 4.00   0.127% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  17.40 +/- 2.77   0.633% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  17.25 +/- 3.19   0.599% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.31 +/- 3.31   0.618% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  19.46 +/- 3.33   0.517% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  19.63 +/- 4.03   0.444% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  29.21 +/- 4.44   0.119% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  31.79 +/- 5.12   0.079% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.35 +/- 3.56   0.216% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  25.54 +/- 3.56   0.138% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  31.17 +/- 5.69   0.096% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  31.48 +/- 4.48   0.079% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 221.2:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.45 +/- 0.33  71.590% * 98.4611% (1.00  10.0 10.00   4.63 221.19) =  99.990%  kept
        T QB    LYS+ 106 - HD2   LYS+ 111  11.29 +/- 2.65   2.312% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QD    LYS+  38  12.35 +/- 2.14   0.993% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  38   9.42 +/- 0.91   1.793% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QD    LYS+  65  19.39 +/- 3.42   0.321% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   LYS+  74  18.61 +/- 3.61   0.255% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   LYS+  74  15.38 +/- 1.63   0.401% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - QD    LYS+  65   9.96 +/- 2.62   1.800% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.42 +/- 3.32   0.941% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.69 +/- 2.28   0.895% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.50 +/- 1.89   0.273% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  22.58 +/- 3.47   0.155% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  21.92 +/- 4.02   0.209% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  13.68 +/- 3.99   1.979% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.12 +/- 1.50   0.654% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  15.05 +/- 3.29   0.452% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.78 +/- 2.61   0.356% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  15.45 +/- 2.60   0.568% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  16.88 +/- 3.49   0.637% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  12.31 +/- 3.96   1.743% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  28.30 +/- 4.16   0.107% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  15.49 +/- 1.67   0.374% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  24.66 +/- 2.87   0.090% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  11.52 +/- 2.68   1.019% *  0.0072% (0.07   1.0  1.00   0.02   1.93) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  22.66 +/- 4.49   0.121% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  14.85 +/- 2.96   0.481% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  15.60 +/- 2.22   0.382% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  19.74 +/- 4.40   0.707% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  14.16 +/- 3.25   1.049% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.26 +/- 1.42   0.399% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65  10.79 +/- 1.34   1.209% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  16.65 +/- 2.48   0.317% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  17.23 +/- 4.00   0.402% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  17.83 +/- 2.70   0.311% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  28.06 +/- 3.85   0.067% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.18 +/- 1.78   0.281% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  15.33 +/- 2.42   0.432% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.57 +/- 2.56   0.338% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  25.75 +/- 3.12   0.090% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.71 +/- 3.53   1.018% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.68 +/- 2.72   0.370% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  19.27 +/- 3.21   0.206% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  18.39 +/- 2.02   0.205% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  20.01 +/- 3.18   0.178% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  19.44 +/- 4.21   0.236% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.77 +/- 4.31   0.116% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  18.88 +/- 4.11   0.401% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  22.76 +/- 4.70   0.175% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  21.34 +/- 2.21   0.134% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  17.66 +/- 2.11   0.255% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  27.27 +/- 3.51   0.088% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  25.12 +/- 3.63   0.113% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.968, support = 5.77, residual support = 224.2:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.37 +/- 0.15  46.128% * 91.2181% (1.00  10.0 10.00   5.75 221.19) =  96.555%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.85 +/- 0.19  26.652% *  5.4974% (0.06  10.0 10.00   6.21 314.81) =   3.362%  kept
        T HG2   LYS+  99 - QD    LYS+  38  10.34 +/- 5.41   3.428% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.070%
        T HG2   LYS+ 111 - HD2   LYS+  74  21.51 +/- 4.48   0.660% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  38 - QD    LYS+  65  19.68 +/- 4.05   0.333% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  65  11.01 +/- 3.15   6.508% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    LYS+  38  11.54 +/- 1.74   0.584% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+  74  18.94 +/- 3.78   0.188% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  25.03 +/- 3.72   0.051% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.36 +/- 2.99   0.266% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+  74  20.69 +/- 4.34   0.107% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  20.32 +/- 3.84   0.110% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+  74   7.84 +/- 2.15   2.258% *  0.0068% (0.07   1.0  1.00   0.02   4.29) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   8.14 +/- 1.44   1.583% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  15.86 +/- 3.42   0.343% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.81 +/- 5.84   0.578% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.00 +/- 3.89   0.809% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.19 +/- 0.69   1.243% *  0.0075% (0.08   1.0  1.00   0.02   3.59) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.99 +/- 1.90   0.944% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  17.81 +/- 2.56   0.150% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  23.57 +/- 4.76   0.076% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.35 +/- 2.61   0.398% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.40 +/- 5.56   0.109% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  23.93 +/- 4.06   0.082% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  17.33 +/- 2.59   0.173% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  13.11 +/- 2.81   0.446% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.71 +/- 4.06   0.530% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.48 +/- 3.01   1.179% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  10.71 +/- 2.48   0.734% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.89 +/- 4.07   0.317% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  17.25 +/- 2.87   0.187% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  29.04 +/- 4.24   0.034% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.16 +/- 4.18   0.741% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.79 +/- 3.85   0.154% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.43 +/- 4.01   0.578% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.95 +/- 5.41   0.244% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.44 +/- 3.06   0.165% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  16.17 +/- 2.98   0.218% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.65 +/- 2.84   0.189% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.13 +/- 2.64   0.090% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.05 +/- 2.98   0.147% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.05 +/- 5.12   0.049% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  17.33 +/- 1.89   0.140% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.86 +/- 3.13   0.099% *  0.0011% (0.01   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 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.96, support = 5.53, residual support = 217.0:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.31 +/- 0.13  42.004% * 78.1231% (1.00  10.0 10.00   5.57 221.19) =  94.508%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.79 +/- 0.19  24.200% *  5.8438% (0.07  10.0 10.00   5.54 186.86) =   4.073%  kept
          QG2   THR   39 - QD    LYS+  38   6.09 +/- 0.91   3.207% * 13.1545% (0.90   1.0  1.00   3.76  30.35) =   1.215%  kept
          QB    ALA   34 - QD    LYS+  38   6.48 +/- 1.26   2.942% *  1.3088% (0.80   1.0  1.00   0.42   0.02) =   0.111%  kept
        T HG3   LYS+  99 - QD    LYS+  38  10.47 +/- 5.69   9.047% *  0.2932% (0.38   1.0 10.00   0.02   0.02) =   0.076%
          HG13  ILE   19 - QD    LYS+  38  13.24 +/- 3.14   4.246% *  0.0442% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   LYS+  74 - QD    LYS+  65   9.17 +/- 3.33   2.257% *  0.0487% (0.06   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  38  17.15 +/- 3.87   0.190% *  0.2665% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38   9.94 +/- 3.47   1.987% *  0.0241% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+  65  20.05 +/- 4.06   0.224% *  0.1427% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  19.42 +/- 4.16   0.142% *  0.1713% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QD    LYS+  38  18.73 +/- 3.29   0.162% *  0.0739% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  11.68 +/- 2.14   0.581% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.64 +/- 2.20   0.495% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  14.47 +/- 3.43   0.592% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  22.45 +/- 4.94   0.372% *  0.0201% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.69 +/- 1.60   0.538% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.27 +/- 1.41   0.331% *  0.0162% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  20.26 +/- 3.77   0.099% *  0.0536% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.19 +/- 3.04   1.157% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.82 +/- 4.30   0.077% *  0.0643% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.99 +/- 2.08   0.867% *  0.0056% (0.07   1.0  1.00   0.02   1.93) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  12.52 +/- 5.17   0.492% *  0.0097% (0.12   1.0  1.00   0.02   7.68) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.43 +/- 2.41   0.381% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  21.26 +/- 2.38   0.061% *  0.0701% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  12.90 +/- 3.86   0.547% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.47 +/- 2.05   0.266% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.18 +/- 2.25   0.697% *  0.0053% (0.07   1.0  1.00   0.02   0.66) =   0.000%
          QG2   THR   23 - QD    LYS+  38  17.65 +/- 1.79   0.101% *  0.0350% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  13.77 +/- 1.64   0.234% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  14.72 +/- 2.95   0.436% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.73 +/- 3.42   0.307% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  13.98 +/- 3.17   0.413% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  23.60 +/- 4.21   0.074% *  0.0221% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  29.32 +/- 4.28   0.025% *  0.0588% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  21.59 +/- 3.34   0.067% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.42 +/- 2.97   0.057% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.06 +/- 4.82   0.049% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.21 +/- 3.77   0.034% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  25.51 +/- 3.53   0.039% *  0.0018% (0.02   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 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.7:
    * O T HB    THR   39 - HA    THR   39   2.69 +/- 0.25  81.092% * 98.6574% (1.00  10.0 10.00   3.00  38.68) =  99.979%  kept
          HB3   SER   37 - HA    THR   39   6.28 +/- 1.20  11.009% *  0.0952% (0.97   1.0  1.00   0.02   4.43) =   0.013%
        T HB    THR   39 - HA    ILE  103  14.10 +/- 3.66   0.977% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.004%
          QB    SER   13 - HA    THR   39  14.94 +/- 3.25   0.801% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   39  16.91 +/- 4.73   1.200% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  11.41 +/- 2.41   1.761% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    ILE  103  24.89 +/- 4.23   0.219% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  29.58 +/- 2.55   0.070% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  14.19 +/- 3.77   0.837% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.73 +/- 3.64   0.485% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  20.66 +/- 4.88   0.388% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  25.59 +/- 4.73   0.145% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  27.55 +/- 4.02   0.102% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  21.15 +/- 5.48   0.259% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.89 +/- 3.31   0.195% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.83 +/- 3.88   0.460% *  0.0081% (0.08   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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.87, support = 3.03, residual support = 37.9:
    * O T QG2   THR   39 - HA    THR   39   2.72 +/- 0.44  50.203% * 72.3569% (0.87  10.0 10.00   3.00  38.68) =  95.565%  kept
          HG3   LYS+  38 - HA    THR   39   6.25 +/- 1.05   5.873% * 18.6527% (1.00   1.0  1.00   4.48  30.35) =   2.882%  kept
          QB    ALA   34 - HA    THR   39   6.14 +/- 1.67   8.309% *  6.9296% (0.84   1.0  1.00   1.99   3.39) =   1.515%  kept
          HG    LEU   71 - HA    THR   39   7.29 +/- 3.48  13.039% *  0.0232% (0.28   1.0  1.00   0.02   0.13) =   0.008%
        T QG2   THR   39 - HA    ILE  103  12.00 +/- 3.18   1.109% *  0.2391% (0.29   1.0 10.00   0.02   0.02) =   0.007%
          HG13  ILE   19 - HA    THR   39  11.52 +/- 3.75   5.274% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.006%
          HG3   LYS+  99 - HA    THR   39  10.20 +/- 6.98   6.184% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   THR   23 - HA    THR   39  17.86 +/- 2.34   0.262% *  0.4060% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   91 - HA    THR   39  21.97 +/- 1.97   0.125% *  0.7236% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HA    ILE  103  18.76 +/- 4.85   0.664% *  0.1341% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  17.20 +/- 1.85   0.247% *  0.2391% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    ILE  103   7.38 +/- 1.15   4.805% *  0.0094% (0.11   1.0  1.00   0.02   0.70) =   0.001%
          QG2   ILE   56 - HA    THR   39  18.59 +/- 2.74   0.505% *  0.0805% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE  103  10.88 +/- 3.40   1.281% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE  103  15.49 +/- 3.63   0.400% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.66 +/- 2.07   0.354% *  0.0266% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.63 +/- 2.85   0.362% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.99 +/- 4.18   0.281% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  16.44 +/- 4.06   0.459% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  18.35 +/- 3.71   0.265% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.7:
    * O T HA    THR   39 - HB    THR   39   2.69 +/- 0.25  97.056% * 98.7925% (1.00  10.0 10.00   3.00  38.68) =  99.990%  kept
        T HA    ILE  103 - HB    THR   39  14.10 +/- 3.66   1.173% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP-  44 - HB    THR   39  16.37 +/- 1.18   0.507% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  23.05 +/- 2.79   0.217% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.92 +/- 2.60   0.252% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  19.94 +/- 4.17   0.332% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  22.55 +/- 2.48   0.259% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.37 +/- 2.24   0.086% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  29.09 +/- 4.72   0.117% *  0.0599% (0.61   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 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 = 2.94, residual support = 34.3:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  69.711% * 44.7966% (0.87  10.0 10.00   3.00  38.68) =  86.928%  kept
        T QB    ALA   34 - HB    THR   39   5.45 +/- 1.94  10.252% * 43.1359% (0.84   1.0 10.00   2.43   3.39) =  12.310%  kept
          HG3   LYS+  38 - HB    THR   39   7.43 +/- 1.13   2.407% * 11.0847% (1.00   1.0  1.00   4.30  30.35) =   0.743%  kept
        T HG3   LYS+  99 - HB    THR   39  11.13 +/- 6.41   1.993% *  0.1762% (0.34   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   71 - HB    THR   39   6.69 +/- 3.39  11.823% *  0.0144% (0.28   1.0  1.00   0.02   0.13) =   0.005%
          HG13  ILE   19 - HB    THR   39   9.85 +/- 4.00   3.064% *  0.0272% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HB    THR   39  16.58 +/- 2.75   0.198% *  0.2514% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  21.85 +/- 2.13   0.078% *  0.4480% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB    THR   39  18.57 +/- 2.46   0.182% *  0.0498% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  15.87 +/- 3.04   0.291% *  0.0159% (0.31   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 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.7:
    * O T HA    THR   39 - QG2   THR   39   2.72 +/- 0.44  60.427% * 96.3159% (0.87  10.0 10.00   3.00  38.68) =  99.947%  kept
        T HA    ILE  103 - QG2   THR   39  12.00 +/- 3.18   1.317% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.016%
        T HA    ILE  103 - QG2   THR   23  18.76 +/- 4.85   0.887% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.006%
          HB    THR   77 - QB    ALA   91   6.66 +/- 3.07  11.977% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          HA    GLU-  79 - QB    ALA   91  11.45 +/- 2.91   5.524% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.004%
        T HA    THR   39 - QG2   THR   23  17.86 +/- 2.34   0.342% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T HB    THR   77 - QG2   THR   23  16.23 +/- 3.92   0.516% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   51 - QB    ALA   91   9.78 +/- 3.20   3.521% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QG2   THR   23  14.75 +/- 7.00   2.535% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    ALA   91  17.20 +/- 1.85   0.304% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - QB    ALA   91   8.90 +/- 1.50   3.410% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QB    ALA   91  10.13 +/- 1.91   2.745% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    ALA   91  21.97 +/- 1.97   0.152% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    ALA   91  11.21 +/- 2.10   1.201% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QG2   THR   23  20.17 +/- 5.14   1.465% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   39  17.42 +/- 1.94   0.404% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  13.80 +/- 1.04   0.580% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   39  19.57 +/- 2.64   0.243% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  18.55 +/- 3.94   0.482% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  16.36 +/- 3.11   0.410% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  19.07 +/- 2.57   0.261% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  15.66 +/- 1.82   0.429% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.60 +/- 2.00   0.114% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  21.31 +/- 6.37   0.281% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  24.69 +/- 4.13   0.143% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  23.30 +/- 3.91   0.138% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  30.23 +/- 4.84   0.193% *  0.0221% (0.20   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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.865, support = 2.97, residual support = 38.2:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  61.166% * 90.9710% (0.87  10.0 10.00   3.00  38.68) =  98.535%  kept
          HB3   SER   37 - QG2   THR   39   4.34 +/- 1.42  18.499% *  3.2923% (0.84   1.0  1.00   0.75   4.43) =   1.078%  kept
          HA    ILE   89 - QB    ALA   91   5.28 +/- 0.80   5.300% *  4.0069% (0.40   1.0  1.00   1.93   7.59) =   0.376%  kept
          HA    GLN   30 - QG2   THR   39   8.19 +/- 2.45   4.554% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   THR   39  14.25 +/- 3.91   1.643% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.002%
        T HB    THR   39 - QG2   THR   23  16.58 +/- 2.75   0.176% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   13 - QG2   THR   39  11.51 +/- 2.74   0.584% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   91   9.21 +/- 3.55   3.923% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  17.59 +/- 8.47   1.150% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  21.85 +/- 2.13   0.070% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    ALA   91  12.17 +/- 2.40   0.621% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  16.05 +/- 3.10   0.260% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  21.60 +/- 4.25   0.129% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.91 +/- 1.05   0.725% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  15.48 +/- 1.54   0.187% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  20.15 +/- 4.79   0.259% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  23.27 +/- 3.70   0.069% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.37 +/- 3.74   0.127% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  20.69 +/- 4.25   0.108% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.29 +/- 1.51   0.191% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.59 +/- 3.00   0.062% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.68 +/- 2.28   0.048% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  23.68 +/- 3.74   0.065% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.01 +/- 2.71   0.085% *  0.0107% (0.10   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 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 = 5.25, residual support = 100.6:
    * O T HB2   LEU   40 - HA    LEU   40   2.48 +/- 0.26  69.339% * 93.6096% (1.00  10.0 10.00   5.28 101.49) =  99.132%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.79 +/- 0.68  11.996% *  4.4839% (0.39   1.0  1.00   2.43   1.59) =   0.822%  kept
        T HB2   LEU   40 - HA    ASN   35   9.16 +/- 1.84   4.457% *  0.3510% (0.37   1.0 10.00   0.02   0.02) =   0.024%
        T HB2   LEU   40 - HA    GLU-  15  13.49 +/- 3.54   0.820% *  0.7570% (0.81   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LEU   67 - HA    LEU   40  10.14 +/- 1.76   2.436% *  0.1444% (0.15   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LEU   67 - HA    ASN   35  13.96 +/- 3.68   2.201% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   67 - HA    GLU-  15  12.44 +/- 4.54   1.016% *  0.1168% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HA    LEU   40  11.44 +/- 2.12   1.088% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.23 +/- 0.90   1.829% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LEU   40  13.35 +/- 3.78   0.877% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  15.80 +/- 3.78   1.272% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  16.03 +/- 3.06   0.367% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  20.77 +/- 4.23   0.240% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.99 +/- 1.50   0.549% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  26.85 +/- 4.47   0.245% *  0.0459% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  16.33 +/- 2.00   0.305% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  23.21 +/- 2.77   0.120% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  16.30 +/- 3.47   0.494% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.77 +/- 2.82   0.103% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  22.08 +/- 3.96   0.169% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  27.95 +/- 3.90   0.077% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.867, support = 5.51, residual support = 101.4:
    * O T HB3   LEU   40 - HA    LEU   40   2.80 +/- 0.27  45.653% * 70.6117% (1.00  10.0 10.00   5.56 101.49) =  78.784%  kept
      O T HG    LEU   40 - HA    LEU   40   3.24 +/- 0.40  32.666% * 26.5014% (0.38  10.0 10.00   5.35 101.49) =  21.157%  kept
        T HB3   LEU   40 - HA    ASN   35   9.51 +/- 1.95   3.149% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.020%
        T HB3   LEU   40 - HA    GLU-  15  12.77 +/- 3.43   0.777% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.011%
        T HG    LEU  115 - HA    LEU   40  16.72 +/- 4.13   0.576% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   LEU  115 - HA    LEU   40  15.48 +/- 4.17   0.890% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.006%
        T HG    LEU   40 - HA    ASN   35  10.29 +/- 1.59   1.564% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   67 - HA    LEU   40  10.22 +/- 2.06   1.572% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LEU   40  14.00 +/- 3.84   0.559% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    ASN   35  14.28 +/- 4.06   2.632% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    GLU-  15  12.61 +/- 5.05   1.210% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - HA    ASN   35  22.73 +/- 3.93   0.120% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU   40  13.39 +/- 5.26   2.193% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LEU   40  14.24 +/- 2.64   0.580% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    GLU-  15  22.89 +/- 2.64   0.095% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.21 +/- 2.81   0.878% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  21.39 +/- 4.07   0.172% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  11.64 +/- 1.96   0.942% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  15.88 +/- 5.07   0.395% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  14.02 +/- 3.36   0.494% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  19.05 +/- 1.99   0.157% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  16.43 +/- 3.99   0.569% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  19.08 +/- 3.58   0.202% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.23 +/- 1.34   0.657% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  23.66 +/- 2.91   0.084% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  16.78 +/- 4.02   0.343% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.54 +/- 1.84   0.240% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  20.75 +/- 3.49   0.167% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  19.87 +/- 4.26   0.217% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  19.23 +/- 4.74   0.246% *  0.0046% (0.07   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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.26, residual support = 101.3:
    * O T HA    LEU   40 - HB2   LEU   40   2.48 +/- 0.26  53.488% * 97.5716% (1.00  10.0 10.00   5.28 101.49) =  99.778%  kept
          HA    LYS+  99 - HB2   LEU   40   8.04 +/- 6.72  17.909% *  0.4969% (0.25   1.0  1.00   0.41   8.53) =   0.170%  kept
        T HA    ASN   35 - HB2   LEU   40   9.16 +/- 1.84   3.627% *  0.3662% (0.38   1.0 10.00   0.02   0.02) =   0.025%
        T HA    GLU-  15 - HB2   LEU   40  13.49 +/- 3.54   0.658% *  0.9230% (0.95   1.0 10.00   0.02   0.02) =   0.012%
          HA    SER   37 - HB2   LEU   40   9.23 +/- 2.24   6.745% *  0.0366% (0.38   1.0  1.00   0.02   0.71) =   0.005%
        T HA    LEU   40 - HB2   LEU   67  10.14 +/- 1.76   1.749% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.003%
          HA    PRO   58 - HB2   LEU   40  16.82 +/- 2.78   0.800% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB2   LEU   67  12.44 +/- 4.54   0.781% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - HB2   LEU   67  13.96 +/- 3.68   1.790% *  0.0338% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   LEU   40  14.31 +/- 6.70   1.029% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB2   LEU   40  12.96 +/- 3.87   0.886% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB2   LEU   40  18.28 +/- 2.98   0.528% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   9.69 +/- 6.58   5.147% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.00 +/- 2.22   0.183% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  19.13 +/- 1.01   0.138% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.29 +/- 1.62   0.660% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  14.19 +/- 2.83   1.229% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  13.85 +/- 5.27   0.785% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.72 +/- 3.57   0.294% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  14.86 +/- 5.27   0.908% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  15.76 +/- 2.58   0.340% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.25 +/- 2.43   0.328% *  0.0037% (0.04   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 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 = 0.931, support = 4.32, residual support = 101.0:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  57.333% * 69.9238% (1.00  10.0 10.00   4.26 101.49) =  89.578%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.78 +/- 0.24  15.656% * 26.2432% (0.38  10.0  1.00   4.78 101.49) =   9.180%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.71 +/- 0.32  17.597% *  3.1374% (0.04  10.0  1.00   5.20  60.58) =   1.234%  kept
        T HB3   LEU   40 - HB2   LEU   67   8.19 +/- 2.10   2.386% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU  115 - HB2   LEU   40  15.13 +/- 3.71   0.290% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HB2   LEU   40   9.16 +/- 2.46   1.037% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   8.09 +/- 1.46   1.006% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU   40  12.50 +/- 5.30   1.879% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HB2   LEU   40  13.10 +/- 4.04   0.247% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  16.31 +/- 3.76   0.221% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  15.28 +/- 2.36   0.110% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  14.36 +/- 3.01   0.174% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.95 +/- 2.26   0.193% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.38 +/- 2.36   0.130% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  10.06 +/- 1.84   0.489% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.77 +/- 1.95   0.100% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  13.65 +/- 3.06   0.176% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.21 +/- 1.03   0.648% *  0.0014% (0.02   1.0  1.00   0.02   0.33) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.80 +/- 1.51   0.150% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  14.88 +/- 3.30   0.180% *  0.0011% (0.02   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 = 0.998, support = 5.55, residual support = 101.3:
    * O T HA    LEU   40 - HB3   LEU   40   2.80 +/- 0.27  51.316% * 97.5058% (1.00  10.0 10.00   5.56 101.49) =  99.796%  kept
          HA    LYS+  99 - HB3   LEU   40   8.53 +/- 6.25  14.427% *  0.4966% (0.25   1.0  1.00   0.41   8.53) =   0.143%  kept
        T HA    ASN   35 - HB3   LEU   40   9.51 +/- 1.95   3.412% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.025%
        T HA    GLU-  15 - HB3   LEU   40  12.77 +/- 3.43   1.054% *  0.9224% (0.95   1.0 10.00   0.02   0.02) =   0.019%
          HA    SER   37 - HB3   LEU   40   9.47 +/- 2.13  10.046% *  0.0366% (0.38   1.0  1.00   0.02   0.71) =   0.007%
        T HA    LEU   40 - HB3   LEU  115  15.48 +/- 4.17   1.171% *  0.1144% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HB3   LEU   40  13.89 +/- 6.45   1.272% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU   40  16.24 +/- 2.68   0.663% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   LEU   40  12.16 +/- 4.08   1.626% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB3   LEU  115   6.51 +/- 1.81   9.146% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB3   LEU   40  17.82 +/- 3.13   0.667% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU  115   9.43 +/- 1.95   2.300% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LEU   40  17.44 +/- 1.84   0.270% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  22.89 +/- 2.64   0.121% *  0.1082% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  21.39 +/- 4.07   0.266% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  18.65 +/- 1.05   0.196% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  12.25 +/- 1.96   0.828% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.49 +/- 1.28   0.535% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  19.92 +/- 3.50   0.225% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  27.04 +/- 3.81   0.076% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  23.03 +/- 4.63   0.154% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  17.78 +/- 1.97   0.229% *  0.0029% (0.03   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 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 101.5:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  92.868% * 99.4293% (1.00  10.0 10.00   4.26 101.49) =  99.992%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.19 +/- 2.10   3.752% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU   40 - HB3   LEU  115  15.13 +/- 3.71   0.479% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HB3   LEU   40  12.40 +/- 4.11   1.054% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.24 +/- 2.11   0.384% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  15.19 +/- 3.04   0.204% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.38 +/- 2.36   0.211% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  22.12 +/- 2.82   0.063% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.12 +/- 2.23   0.350% *  0.0093% (0.09   1.0  1.00   0.02   0.19) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.74 +/- 2.17   0.362% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.01 +/- 2.67   0.048% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  17.91 +/- 3.91   0.158% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.88 +/- 3.37   0.044% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  32.28 +/- 5.90   0.023% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 73.5:
    * O T HB    VAL   41 - HA    VAL   41   2.75 +/- 0.22  86.850% * 99.0830% (0.69  10.0 10.00   4.00  73.47) =  99.989%  kept
          HG12  ILE  103 - HA    VAL   41   9.99 +/- 2.59   2.741% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - HA    VAL   41  10.31 +/- 1.48   2.102% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    VAL   41  12.36 +/- 2.51   1.289% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  17.11 +/- 4.90   0.586% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  12.35 +/- 1.70   1.093% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    VAL   41  12.25 +/- 1.73   1.139% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    VAL   41  13.30 +/- 1.73   0.872% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    VAL   41  16.51 +/- 3.12   1.234% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    VAL   41  22.61 +/- 2.70   0.216% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  12.48 +/- 1.25   1.044% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  20.75 +/- 2.07   0.242% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  18.88 +/- 3.09   0.402% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  22.97 +/- 3.06   0.190% *  0.0360% (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 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.23, residual support = 72.8:
    * O T QG1   VAL   41 - HA    VAL   41   2.72 +/- 0.33  58.375% * 93.4920% (1.00  10.0 10.00   4.26  73.47) =  99.046%  kept
          QG1   VAL   43 - HA    VAL   41   5.67 +/- 0.92   8.906% *  5.3997% (0.95   1.0  1.00   1.22   1.34) =   0.873%  kept
        T QG2   VAL   18 - HA    VAL   41  10.15 +/- 4.09   3.915% *  0.7145% (0.76   1.0 10.00   0.02   0.02) =   0.051%
          QD2   LEU   73 - HA    VAL   41   6.26 +/- 2.10  16.807% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.013%
        T QD2   LEU  104 - HA    VAL   41   8.42 +/- 2.40   3.314% *  0.1850% (0.20   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   31 - HA    VAL   41   9.79 +/- 2.84   2.921% *  0.0567% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   41   8.60 +/- 2.63   4.158% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    VAL   41  12.93 +/- 1.65   0.670% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  13.39 +/- 2.00   0.933% *  0.0208% (0.22   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 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 73.3:
    * O T QG2   VAL   41 - HA    VAL   41   2.40 +/- 0.48  77.741% * 98.5651% (1.00  10.0 10.00   3.93  73.47) =  99.754%  kept
          QD2   LEU   98 - HA    VAL   41   6.08 +/- 3.13  14.358% *  1.2818% (0.95   1.0  1.00   0.27  22.81) =   0.240%  kept
          QD2   LEU   63 - HA    VAL   41   8.14 +/- 2.45   7.123% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU   80 - HA    VAL   41  14.67 +/- 3.53   0.778% *  0.0932% (0.95   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 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 73.5:
    * O T HA    VAL   41 - HB    VAL   41   2.75 +/- 0.22  97.681% * 99.8595% (0.69  10.0 10.00   4.00  73.47) =  99.998%  kept
          HA    HIS  122 - HB    VAL   41  15.59 +/- 5.70   1.312% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB    VAL   41  12.74 +/- 1.12   1.007% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.96, residual support = 73.1:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.01  70.515% * 94.7138% (0.69  10.0 10.00   3.98  73.47) =  99.529%  kept
          QG1   VAL   43 - HB    VAL   41   5.12 +/- 0.87   6.866% *  4.1635% (0.65   1.0  1.00   0.93   1.34) =   0.426%  kept
        T QG2   VAL   18 - HB    VAL   41  11.14 +/- 3.92   2.208% *  0.7238% (0.52   1.0 10.00   0.02   0.02) =   0.024%
        T QD2   LEU  104 - HB    VAL   41   7.63 +/- 2.16   3.510% *  0.1874% (0.14   1.0 10.00   0.02   0.02) =   0.010%
          QD2   LEU   73 - HB    VAL   41   6.67 +/- 2.76  10.903% *  0.0425% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   31 - HB    VAL   41   9.10 +/- 3.88   3.597% *  0.0574% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HB    VAL   41   9.31 +/- 2.72   1.631% *  0.0292% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   41  13.16 +/- 1.68   0.359% *  0.0613% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  13.76 +/- 2.19   0.411% *  0.0211% (0.15   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 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.86, residual support = 71.7:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  65.223% * 93.3088% (0.69  10.0 10.00   3.94  73.47) =  96.592%  kept
          QD2   LEU   98 - HB    VAL   41   4.75 +/- 3.19  32.783% *  6.5463% (0.65   1.0  1.00   1.48  22.81) =   3.406%  kept
          QD2   LEU   63 - HB    VAL   41   9.52 +/- 2.70   1.606% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB    VAL   41  14.46 +/- 3.71   0.388% *  0.0883% (0.65   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 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 73.5:
    * O T HA    VAL   41 - QG2   VAL   41   2.40 +/- 0.48  96.883% * 99.8595% (1.00  10.0 10.00   3.93  73.47) =  99.998%  kept
          HA    HIS  122 - QG2   VAL   41  13.51 +/- 4.51   1.485% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - QG2   VAL   41  10.95 +/- 0.80   1.632% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.94, residual support = 73.5:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  86.304% * 99.0830% (0.69  10.0 10.00   3.94  73.47) =  99.987%  kept
          HG12  ILE  103 - QG2   VAL   41   7.28 +/- 2.48   4.717% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE  103 - QG2   VAL   41   9.29 +/- 2.48   1.905% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - QG2   VAL   41   8.18 +/- 2.28   2.618% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG2   VAL   41  10.51 +/- 1.29   0.804% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  11.98 +/- 1.63   0.585% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  16.16 +/- 3.56   0.280% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  13.09 +/- 1.32   0.417% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41  10.23 +/- 1.39   0.992% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  14.59 +/- 2.63   0.625% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.75 +/- 2.50   0.137% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  18.54 +/- 2.04   0.150% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.42 +/- 2.94   0.313% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  19.17 +/- 2.87   0.154% *  0.0360% (0.25   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 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 3.91, residual support = 72.1:
    * O T QG1   VAL   41 - QG2   VAL   41   2.05 +/- 0.05  60.200% * 88.6965% (1.00  10.0 10.00   3.95  73.47) =  98.146%  kept
          QG1   VAL   43 - QG2   VAL   41   4.36 +/- 0.96   9.899% *  7.8513% (0.95   1.0  1.00   1.87   1.34) =   1.429%  kept
          HG    LEU   31 - QG2   VAL   41   7.23 +/- 3.61   6.180% *  1.7937% (0.61   1.0  1.00   0.67   0.02) =   0.204%  kept
          QD2   LEU   73 - QG2   VAL   41   5.61 +/- 2.37  14.642% *  0.7006% (0.45   1.0  1.00   0.35   0.02) =   0.189%  kept
        T QG2   VAL   18 - QG2   VAL   41   9.52 +/- 3.50   1.801% *  0.6778% (0.76   1.0 10.00   0.02   0.02) =   0.022%
        T QD2   LEU  104 - QG2   VAL   41   6.88 +/- 1.73   2.665% *  0.1755% (0.20   1.0 10.00   0.02   0.02) =   0.009%
          QD1   ILE   19 - QG2   VAL   41   7.50 +/- 2.67   3.756% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG2   VAL   41  11.28 +/- 1.38   0.467% *  0.0574% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  12.21 +/- 1.75   0.391% *  0.0197% (0.22   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 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 = 4.18, residual support = 84.2:
    * O T HB    VAL   42 - HA    VAL   42   2.77 +/- 0.25  59.204% * 88.1870% (0.87  10.0 10.00   4.25  86.33) =  97.492%  kept
          QB    LEU   98 - HA    VAL   42   6.21 +/- 2.98  18.211% *  6.3649% (0.76   1.0  1.00   1.64   0.32) =   2.164%  kept
          HB3   LEU   73 - HA    VAL   42   8.56 +/- 3.05   4.976% *  1.8749% (0.80   1.0  1.00   0.46   1.04) =   0.174%  kept
        T HB2   LYS+ 112 - HA    PHE   55   8.57 +/- 2.13   3.983% *  1.9605% (0.16   1.0 10.00   0.24   0.86) =   0.146%  kept
        T HB2   LYS+ 112 - HA    VAL   42  16.42 +/- 3.35   0.826% *  0.6983% (0.69   1.0 10.00   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HA    VAL   42   9.31 +/- 2.20   2.570% *  0.0576% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HA    VAL   42  13.58 +/- 4.62   2.967% *  0.0456% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - HA    VAL   42  10.81 +/- 2.95   2.353% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   42 - HA    PHE   55  17.39 +/- 2.29   0.374% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    VAL   42  13.49 +/- 1.28   0.580% *  0.0938% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    VAL   42  13.94 +/- 1.77   0.578% *  0.0882% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HA    VAL   42  14.02 +/- 2.87   0.636% *  0.0777% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  19.67 +/- 2.83   0.230% *  0.0981% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  15.67 +/- 3.14   0.518% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.52 +/- 2.79   0.450% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.62 +/- 3.90   0.284% *  0.0192% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.35 +/- 2.74   0.289% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.66 +/- 2.64   0.221% *  0.0135% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  19.25 +/- 2.58   0.251% *  0.0116% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  20.88 +/- 2.11   0.156% *  0.0183% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  27.50 +/- 4.37   0.086% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.20 +/- 3.17   0.066% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  28.96 +/- 3.03   0.060% *  0.0183% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.43 +/- 2.50   0.131% *  0.0074% (0.07   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 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 86.3:
    * O T QG1   VAL   42 - HA    VAL   42   2.66 +/- 0.26  80.788% * 98.1799% (0.97  10.0 10.00   4.00  86.33) =  99.956%  kept
        T QB    ALA   64 - HA    VAL   42   7.18 +/- 1.51   8.500% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.022%
        T QB    ALA   47 - HA    VAL   42  13.40 +/- 1.87   0.895% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.011%
        T QB    ALA   47 - HA    PHE   55   9.75 +/- 0.98   1.904% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   42 - HA    PHE   55  13.00 +/- 1.72   0.918% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+ 112 - HA    VAL   42  16.67 +/- 3.91   1.285% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    PHE   55   8.66 +/- 2.70   4.819% *  0.0164% (0.16   1.0  1.00   0.02   0.86) =   0.001%
        T QB    ALA   64 - HA    PHE   55  12.77 +/- 1.17   0.892% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.12 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 = 86.1:
    * O T QG2   VAL   42 - HA    VAL   42   2.42 +/- 0.50  88.865% * 96.8205% (0.80  10.0 10.00   4.00  86.33) =  99.680%  kept
          QG2   VAL   75 - HA    VAL   42   6.69 +/- 2.18   9.305% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.316%  kept
        T QG2   VAL   42 - HA    PHE   55  14.19 +/- 1.99   1.352% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   75 - HA    PHE   55  15.20 +/- 1.63   0.478% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 86.3:
    * O T HA    VAL   42 - HB    VAL   42   2.77 +/- 0.25  77.537% * 97.9628% (0.87  10.0 10.00   4.25  86.33) =  99.954%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.57 +/- 2.13   5.107% *  0.3914% (0.35   1.0 10.00   0.02   0.86) =   0.026%
        T HA    VAL   42 - HB2   LYS+ 112  16.42 +/- 3.35   1.040% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.009%
        T HA    PHE   55 - HB    VAL   42  17.39 +/- 2.29   0.481% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA  110 - HB2   LYS+ 112   7.22 +/- 1.67   9.005% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB    VAL   42  13.03 +/- 4.48   1.543% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  13.75 +/- 2.48   1.501% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   LYS+ 112  13.21 +/- 2.49   1.337% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.24 +/- 0.70   0.792% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB    VAL   42  15.86 +/- 2.70   0.589% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  19.49 +/- 3.09   0.373% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  23.85 +/- 4.56   0.249% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  18.32 +/- 2.78   0.330% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  28.19 +/- 4.95   0.116% *  0.0419% (0.37   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 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 = 0.742, support = 4.82, residual support = 121.0:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  58.619% * 65.1690% (0.84  10.0 10.00   4.25  86.33) =  77.157%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.59 +/- 0.27  34.516% * 32.7352% (0.42  10.0 10.00   6.74 238.20) =  22.820%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.84 +/- 2.74   0.949% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.009%
        T QG1   VAL   42 - HB2   LYS+ 112  12.01 +/- 2.24   0.593% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+ 112 - HB    VAL   42  16.21 +/- 3.68   0.409% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.004%
        T QB    ALA   47 - HB    VAL   42  13.84 +/- 1.48   0.252% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   64 - HB    VAL   42   6.06 +/- 1.50   4.231% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HB2   LYS+ 112  13.45 +/- 2.37   0.432% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 4.11, residual support = 86.2:
    * O T QG2   VAL   42 - HB    VAL   42   2.11 +/- 0.01  92.474% * 96.7306% (0.69  10.0 10.00   4.12  86.33) =  99.822%  kept
          QG2   VAL   75 - HB    VAL   42   7.18 +/- 2.25   6.006% *  2.5316% (0.56   1.0  1.00   0.65   0.02) =   0.170%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  12.99 +/- 2.74   1.077% *  0.6826% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          QG2   VAL   75 - HB2   LYS+ 112  15.07 +/- 2.76   0.443% *  0.0552% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.19, residual support = 84.6:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.02  60.606% * 91.2109% (0.84  10.0 10.00   4.25  86.33) =  98.017%  kept
          HB3   LEU   73 - QG1   VAL   42   6.73 +/- 3.01  20.320% *  5.3885% (0.77   1.0  1.00   1.28   1.04) =   1.942%  kept
        T HB2   LYS+ 112 - QB    ALA   47  11.84 +/- 2.74   0.989% *  0.6238% (0.57   1.0 10.00   0.02   0.02) =   0.011%
        T HB2   LYS+ 112 - QG1   VAL   42  12.01 +/- 2.24   0.649% *  0.7223% (0.66   1.0 10.00   0.02   0.02) =   0.008%
          QB    LEU   98 - QG1   VAL   42   7.27 +/- 2.42   2.745% *  0.0804% (0.74   1.0  1.00   0.02   0.32) =   0.004%
        T HB    VAL   42 - QB    ALA   47  13.84 +/- 1.48   0.265% *  0.7877% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - QB    ALA   47  14.03 +/- 4.35   3.595% *  0.0514% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QG1   VAL   42   8.10 +/- 2.58   2.469% *  0.0512% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QB    ALA   47  13.38 +/- 4.63   1.218% *  0.0788% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG1   VAL   42   8.59 +/- 2.17   1.465% *  0.0595% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG1   VAL   42  10.82 +/- 3.65   1.424% *  0.0471% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG1   VAL   42  10.05 +/- 1.33   0.723% *  0.0912% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  12.30 +/- 1.10   0.343% *  0.0971% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QB    ALA   47  14.71 +/- 2.86   0.455% *  0.0694% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   42  13.76 +/- 2.51   0.287% *  0.0804% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  11.91 +/- 2.98   0.784% *  0.0280% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  12.77 +/- 2.80   0.460% *  0.0442% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.80 +/- 2.15   0.258% *  0.0727% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  16.38 +/- 2.11   0.166% *  0.1015% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  21.38 +/- 4.26   0.166% *  0.0694% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.98 +/- 2.37   0.344% *  0.0325% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.79 +/- 3.99   0.110% *  0.0876% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.77 +/- 1.99   0.064% *  0.0838% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.12 +/- 1.71   0.097% *  0.0407% (0.37   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 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 = 86.0:
    * O T QG2   VAL   42 - QG1   VAL   42   2.03 +/- 0.07  85.794% * 96.1881% (0.77  10.0 10.00   4.00  86.33) =  99.560%  kept
          QG2   VAL   75 - QG1   VAL   42   5.29 +/- 1.96  12.322% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.433%  kept
        T QG2   VAL   42 - QB    ALA   47  11.43 +/- 1.56   0.625% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.006%
          QG2   VAL   75 - QB    ALA   47   9.16 +/- 2.06   1.259% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.76 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 = 86.3:
    * O T HA    VAL   42 - QG2   VAL   42   2.42 +/- 0.50  88.082% * 99.2010% (0.80  10.0 10.00   4.00  86.33) =  99.985%  kept
        T HA    PHE   55 - QG2   VAL   42  14.19 +/- 1.99   1.335% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.009%
          HA    SER   37 - QG2   VAL   42  11.90 +/- 2.24   5.990% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG2   VAL   42  11.63 +/- 3.30   1.554% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG2   VAL   42  10.96 +/- 0.78   1.444% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG2   VAL   42  12.75 +/- 2.46   0.948% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  16.17 +/- 2.53   0.647% *  0.0372% (0.30   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.11, residual support = 86.0:
    * O T HB    VAL   42 - QG2   VAL   42   2.11 +/- 0.01  68.630% * 94.7131% (0.69  10.0 10.00   4.12  86.33) =  99.642%  kept
          QB    LEU   98 - QG2   VAL   42   6.53 +/- 2.60   5.937% *  2.4196% (0.61   1.0  1.00   0.58   0.32) =   0.220%  kept
          HB3   LEU   73 - QG2   VAL   42   7.82 +/- 2.48   4.742% *  1.5354% (0.64   1.0  1.00   0.35   1.04) =   0.112%  kept
          HD3   LYS+ 121 - QG2   VAL   42  10.34 +/- 4.21  13.831% *  0.0490% (0.36   1.0  1.00   0.02   0.02) =   0.010%
        T HB2   LYS+ 112 - QG2   VAL   42  12.99 +/- 2.74   0.817% *  0.7500% (0.55   1.0 10.00   0.02   0.02) =   0.009%
          HB3   LYS+  74 - QG2   VAL   42   9.15 +/- 2.63   2.294% *  0.0531% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG2   VAL   42   8.65 +/- 2.12   1.681% *  0.0618% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG2   VAL   42  10.83 +/- 1.62   0.669% *  0.0947% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG2   VAL   42  11.58 +/- 0.97   0.445% *  0.1008% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  12.71 +/- 2.77   0.454% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  16.10 +/- 2.14   0.194% *  0.1054% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.08 +/- 2.71   0.307% *  0.0337% (0.25   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 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 4.0, residual support = 86.3:
    * O T QG1   VAL   42 - QG2   VAL   42   2.03 +/- 0.07  79.958% * 98.5346% (0.77  10.0 10.00   4.00  86.33) =  99.903%  kept
          QB    ALA   64 - QG2   VAL   42   5.39 +/- 1.54  18.585% *  0.3765% (0.16   1.0  1.00   0.37   0.02) =   0.089%
        T QB    ALA   47 - QG2   VAL   42  11.43 +/- 1.56   0.586% *  1.0187% (0.80   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+ 112 - QG2   VAL   42  13.23 +/- 3.11   0.871% *  0.0701% (0.55   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.88 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 = 61.5:
    * O T HB    VAL   43 - HA    VAL   43   2.85 +/- 0.19  96.131% * 99.7401% (0.97  10.0 10.00   3.30  61.49) =  99.996%  kept
          QD    LYS+  81 - HA    VAL   43  15.58 +/- 3.27   1.815% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HA    VAL   43  13.26 +/- 1.84   1.133% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    VAL   43  16.06 +/- 4.91   0.921% *  0.0544% (0.53   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 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.89, support = 4.48, residual support = 60.5:
    * O T QG1   VAL   43 - HA    VAL   43   2.70 +/- 0.35  55.401% * 95.4174% (0.90  10.0 10.00   4.54  61.49) =  98.164%  kept
          QD2   LEU   73 - HA    VAL   43   5.17 +/- 2.54  23.210% *  4.1982% (0.53   1.0  1.00   1.50   6.40) =   1.809%  kept
          QG2   VAL   18 - HA    VAL   43  10.67 +/- 4.92   7.894% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.011%
          QG1   VAL   41 - HA    VAL   43   7.13 +/- 0.71   3.508% *  0.1055% (0.99   1.0  1.00   0.02   1.34) =   0.007%
          QG2   THR   46 - HA    VAL   43   8.20 +/- 1.35   3.363% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   31 - HA    VAL   43  10.93 +/- 3.26   2.108% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - HA    VAL   43  11.03 +/- 2.84   1.890% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   43  10.31 +/- 1.49   1.194% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    VAL   43  10.17 +/- 1.87   1.432% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 61.5:
    * O T QG2   VAL   43 - HA    VAL   43   2.29 +/- 0.35  92.905% * 98.9143% (0.69  10.0 10.00   3.00  61.49) =  99.965%  kept
        T QD2   LEU   31 - HA    VAL   43   8.70 +/- 2.44   2.947% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.034%
          QG2   VAL   83 - HA    VAL   43  10.14 +/- 3.93   4.148% *  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 = 61.5:
    * O T HA    VAL   43 - HB    VAL   43   2.85 +/- 0.19  96.524% * 99.8083% (0.97  10.0 10.00   3.30  61.49) =  99.998%  kept
          HA    HIS   22 - HB    VAL   43  15.62 +/- 3.22   0.775% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB    VAL   43  15.96 +/- 1.90   0.658% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  11.99 +/- 2.15   2.043% *  0.0222% (0.21   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 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 = 3.9, residual support = 61.3:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.01  82.144% * 90.3767% (0.87  10.0 10.00   3.91  61.49) =  99.714%  kept
        T QG1   VAL   41 - HB    VAL   43   7.68 +/- 1.04   2.288% *  8.5432% (0.96   1.0 10.00   0.17   1.34) =   0.263%  kept
        T QG2   VAL   18 - HB    VAL   43  12.51 +/- 4.57   1.279% *  0.6922% (0.66   1.0 10.00   0.02   0.02) =   0.012%
          QD2   LEU   73 - HB    VAL   43   6.73 +/- 2.74   7.859% *  0.0530% (0.51   1.0  1.00   0.02   6.40) =   0.006%
        T QD2   LEU  104 - HB    VAL   43   9.48 +/- 1.73   1.382% *  0.1555% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HB    VAL   43  11.67 +/- 4.31   1.988% *  0.0692% (0.66   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   43   8.76 +/- 1.11   1.410% *  0.0571% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB    VAL   43  10.56 +/- 1.83   0.907% *  0.0280% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  12.52 +/- 3.00   0.743% *  0.0251% (0.24   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.87, residual support = 61.5:
    * O T QG2   VAL   43 - HB    VAL   43   2.11 +/- 0.01  93.483% * 98.9143% (0.66  10.0 10.00   2.87  61.49) =  99.971%  kept
        T QD2   LEU   31 - HB    VAL   43   9.38 +/- 3.34   2.389% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.027%
          QG2   VAL   83 - HB    VAL   43   9.48 +/- 4.08   4.128% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.00 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 = 4.54, residual support = 61.5:
    * O T HA    VAL   43 - QG1   VAL   43   2.70 +/- 0.35  92.731% * 99.8083% (0.90  10.0 10.00   4.54  61.49) =  99.997%  kept
          HA    LEU   71 - QG1   VAL   43   9.53 +/- 2.07   4.890% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG1   VAL   43  12.77 +/- 2.84   1.287% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QG1   VAL   43  12.86 +/- 1.63   1.093% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.45 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 = 3.91, residual support = 61.5:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.01  96.970% * 99.7401% (0.87  10.0 10.00   3.91  61.49) =  99.997%  kept
          QD    LYS+  81 - QG1   VAL   43  13.15 +/- 3.19   1.241% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG1   VAL   43   9.76 +/- 1.48   1.232% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   43  14.73 +/- 3.93   0.558% *  0.0544% (0.47   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 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 = 4.03, residual support = 61.4:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.04  81.371% * 98.9143% (0.62  10.0 10.00   4.03  61.49) =  99.921%  kept
        T QD2   LEU   31 - QG1   VAL   43   7.11 +/- 3.01   5.613% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.073%
          QG2   VAL   83 - QG1   VAL   43   8.21 +/- 3.79  13.016% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.006%
    Distance limit 2.69 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 = 61.5:
    * O T HB    VAL   43 - QG2   VAL   43   2.11 +/- 0.01  90.439% * 99.3815% (0.66  10.0 10.00   2.87  61.49) =  99.988%  kept
        T HB    VAL   43 - QD2   LEU   31   9.38 +/- 3.34   2.312% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.007%
          QD    LYS+  81 - QG2   VAL   43  12.32 +/- 3.01   2.541% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QG2   VAL   43  11.12 +/- 1.04   0.682% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   43  14.81 +/- 4.52   0.995% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QD2   LEU   31  12.00 +/- 4.04   1.787% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD2   LEU   31  16.27 +/- 4.32   0.478% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.39 +/- 1.73   0.767% *  0.0155% (0.10   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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.534, support = 4.31, residual support = 89.1:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.04  33.665% * 78.9110% (0.62  10.0 10.00   4.03  61.49) =  82.738%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  30.500% * 17.3414% (0.14  10.0 10.00   5.90 231.96) =  16.473%  kept
          QD2   LEU   73 - QG2   VAL   43   4.94 +/- 2.37   8.961% *  1.7360% (0.36   1.0  1.00   0.75   6.40) =   0.485%  kept
          QG1   VAL   41 - QD2   LEU   31   6.15 +/- 2.75   9.408% *  0.7956% (0.20   1.0  1.00   0.64   0.02) =   0.233%  kept
        T HG    LEU   31 - QG2   VAL   43   9.17 +/- 3.60   1.838% *  0.6044% (0.47   1.0 10.00   0.02   0.02) =   0.035%
        T QG1   VAL   43 - QD2   LEU   31   7.11 +/- 3.01   2.287% *  0.2264% (0.18   1.0 10.00   0.02   0.02) =   0.016%
          QD2   LEU   73 - QD2   LEU   31   4.93 +/- 2.03   4.069% *  0.0789% (0.10   1.0  1.00   0.12   1.60) =   0.010%
          QG1   VAL   41 - QG2   VAL   43   6.38 +/- 1.00   1.459% *  0.0872% (0.68   1.0  1.00   0.02   1.34) =   0.004%
          QG2   VAL   18 - QG2   VAL   43  10.12 +/- 4.26   1.553% *  0.0604% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QG2   VAL   43   7.22 +/- 0.96   0.968% *  0.0498% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - QG2   VAL   43  10.08 +/- 2.75   0.575% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43   9.35 +/- 1.66   0.515% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.99 +/- 1.12   1.602% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   8.53 +/- 1.27   0.571% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.50 +/- 1.03   0.391% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  12.02 +/- 2.64   0.386% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.08 +/- 3.55   1.099% *  0.0039% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  13.94 +/- 2.17   0.152% *  0.0070% (0.05   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 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.7:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.70 +/- 0.29  89.914% * 97.1917% (1.00  10.0 10.00   2.64  39.73) =  99.980%  kept
        T QG    GLU-  15 - HA    ASP-  44  19.27 +/- 5.00   0.722% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T QG    GLU-  14 - HA    ASP-  44  19.78 +/- 4.13   0.434% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PHE   72 - HA    ASP-  44   9.21 +/- 1.79   3.136% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HA    ASP-  44  11.47 +/- 2.40   1.987% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASP-  44  25.76 +/- 3.63   0.165% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ASP-  44  13.11 +/- 2.05   1.016% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  10.39 +/- 1.83   2.328% *  0.0192% (0.20   1.0  1.00   0.02   0.38) =   0.001%
          HB2   GLU-  29 - HA    ASP-  44  19.00 +/- 1.66   0.299% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 39.7:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.66 +/- 0.28  69.246% * 98.4998% (1.00  10.0 10.00   4.14  39.73) =  99.951%  kept
          HB3   PRO   93 - HA    ASP-  44   6.07 +/- 1.49  18.056% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.020%
        T QB    ALA   84 - HA    ASP-  44  11.90 +/- 2.37   1.523% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.018%
          HB2   LEU   63 - HA    ASP-  44   8.28 +/- 2.13   3.930% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   80 - HA    ASP-  44  12.92 +/- 2.82   1.034% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ASP-  44  11.61 +/- 1.71   1.034% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  14.40 +/- 2.52   0.781% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44  10.55 +/- 2.19   2.358% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    ASP-  44  15.73 +/- 2.46   0.433% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    ASP-  44  17.35 +/- 2.15   0.277% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.98 +/- 1.77   0.304% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  13.30 +/- 2.12   0.788% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  19.06 +/- 2.01   0.237% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.64, residual support = 39.7:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.70 +/- 0.29  87.409% * 98.1053% (1.00  10.0 10.00   2.64  39.73) =  99.989%  kept
          HB    THR   77 - HB2   ASP-  44   9.48 +/- 1.26   2.585% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  14 - HB2   ASP-  44  20.74 +/- 3.96   0.491% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HA    MET   11 - HB2   ASP-  44  26.99 +/- 4.01   0.141% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HB2   ASP-  44   8.25 +/- 2.20   5.644% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  14.36 +/- 1.80   0.694% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.17 +/- 1.28   0.851% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  17.73 +/- 3.12   0.419% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.20 +/- 1.20   0.492% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  18.01 +/- 3.71   0.553% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.35 +/- 1.01   0.525% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  25.13 +/- 3.91   0.195% *  0.0478% (0.49   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 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 = 0.999, support = 2.73, residual support = 39.7:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  84.378% * 98.5604% (1.00  10.0 10.00   2.73  39.73) =  99.914%  kept
          HB3   PRO   93 - HB2   ASP-  44   6.79 +/- 1.93   9.180% *  0.7241% (0.76   1.0  1.00   0.19   0.02) =   0.080%
          HB2   LEU   63 - HB2   ASP-  44   6.80 +/- 1.95   3.891% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   84 - HB2   ASP-  44  12.42 +/- 2.26   0.500% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  13.18 +/- 2.97   0.360% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.60 +/- 3.08   0.388% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  12.86 +/- 1.66   0.250% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.67 +/- 2.05   0.147% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.10 +/- 2.32   0.107% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.65 +/- 2.24   0.330% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  13.66 +/- 2.30   0.291% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  17.75 +/- 2.28   0.092% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  18.82 +/- 2.59   0.087% *  0.0336% (0.34   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 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 39.7:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.66 +/- 0.28  84.687% * 99.3093% (1.00  10.0 10.00   4.14  39.73) =  99.990%  kept
          HB    THR   77 - HB3   ASP-  44   9.27 +/- 1.42   4.714% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   57 - HB3   ASP-  44   8.36 +/- 2.53   5.745% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  17.29 +/- 3.74   0.806% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  44  14.32 +/- 1.71   0.637% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB3   ASP-  44  13.24 +/- 1.60   0.988% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB3   ASP-  44  17.59 +/- 4.24   0.612% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.18 +/- 1.54   0.543% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  21.45 +/- 3.62   0.550% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.75 +/- 1.03   0.372% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  27.57 +/- 3.99   0.138% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  25.79 +/- 3.75   0.209% *  0.0483% (0.49   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 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.73, residual support = 39.7:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  96.915% * 99.4398% (1.00  10.0 10.00   2.73  39.73) =  99.998%  kept
          HB3   PHE   72 - HB3   ASP-  44   9.13 +/- 1.84   0.960% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HB3   ASP-  44  13.26 +/- 2.75   0.451% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  11.37 +/- 3.14   0.621% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  18.95 +/- 4.42   0.179% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  19.26 +/- 3.66   0.129% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  10.91 +/- 1.96   0.608% *  0.0197% (0.20   1.0  1.00   0.02   0.38) =   0.000%
          QB    MET   11 - HB3   ASP-  44  25.12 +/- 3.74   0.050% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  18.87 +/- 2.05   0.087% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 79.8:
    * O T HB2   PHE   45 - HA    PHE   45   2.98 +/- 0.19  96.687% * 99.8680% (1.00  10.0 10.00   3.31  79.82) =  99.998%  kept
          QE    LYS+ 111 - HA    PHE   45  15.61 +/- 2.45   1.231% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HA    PHE   45  14.41 +/- 5.02   2.082% *  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 = 4.0, residual support = 79.8:
    * O T HB3   PHE   45 - HA    PHE   45   2.64 +/- 0.19  90.391% * 99.6736% (1.00  10.0 10.00   4.00  79.82) =  99.994%  kept
          QE    LYS+ 112 - HA    PHE   45  12.92 +/- 2.73   2.029% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HA    PHE   45  12.50 +/- 3.28   4.133% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - HA    PHE   45  10.61 +/- 0.88   1.755% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HA    PHE   45  13.41 +/- 2.07   1.215% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  21.73 +/- 2.92   0.201% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  19.91 +/- 2.45   0.276% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HA    PHE   45 - HB2   PHE   45   2.98 +/- 0.19  98.427% * 99.9145% (1.00  10.0 10.00   3.31  79.82) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.41 +/- 0.94   1.167% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  20.14 +/- 3.09   0.406% *  0.0249% (0.25   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 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 = 79.8:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  93.224% * 99.6736% (1.00  10.0 10.00   3.31  79.82) =  99.996%  kept
          HB3   ASP-  86 - HB2   PHE   45  11.62 +/- 3.54   4.900% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HB2   PHE   45  12.00 +/- 2.97   0.758% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  107 - HB2   PHE   45   9.16 +/- 0.75   0.697% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB2   PHE   45  14.10 +/- 2.07   0.299% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  22.83 +/- 3.05   0.050% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  20.69 +/- 2.68   0.071% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 79.8:
    * O T HA    PHE   45 - HB3   PHE   45   2.64 +/- 0.19  98.849% * 99.9145% (1.00  10.0 10.00   4.00  79.82) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  13.87 +/- 1.14   0.893% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  21.09 +/- 3.02   0.259% *  0.0249% (0.25   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 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 79.8:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.523% * 99.8680% (1.00  10.0 10.00   3.31  79.82) = 100.000%  kept
          QE    LYS+ 111 - HB3   PHE   45  14.76 +/- 2.28   0.231% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  15.75 +/- 4.97   0.246% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.93, residual support = 34.2:
    * O T HB    THR   46 - HA    THR   46   2.56 +/- 0.19  96.221% * 98.0423% (1.00  10.0 10.00   2.93  34.24) =  99.995%  kept
          HB2   HIS  122 - HA    SER   37  17.97 +/- 6.16   1.453% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  27.52 +/- 4.55   0.194% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   37  24.92 +/- 2.35   0.115% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HA    THR   46  12.44 +/- 1.95   1.244% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    THR   46  19.19 +/- 1.93   0.261% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  20.65 +/- 4.01   0.289% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  26.54 +/- 4.31   0.146% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.22 +/- 4.17   0.077% *  0.0384% (0.39   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 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T QG2   THR   46 - HA    THR   46   3.02 +/- 0.27  67.405% * 97.3989% (1.00  10.0 10.00   3.00  34.24) =  99.963%  kept
          QD1   ILE   19 - HA    SER   13  10.00 +/- 2.70   7.833% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.006%
          QD1   ILE   19 - HA    SER   37   8.95 +/- 2.40   4.746% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - HA    SER   37   7.94 +/- 0.98   4.428% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   THR   46 - HA    SER   37  20.57 +/- 2.71   0.263% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    THR   46   9.65 +/- 1.10   2.534% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  22.85 +/- 3.84   0.294% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HA    THR   46  14.83 +/- 5.27   1.225% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   37  13.61 +/- 2.39   1.219% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    SER   37  13.16 +/- 2.98   1.488% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   13  12.14 +/- 1.84   1.687% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  13.66 +/- 1.62   0.908% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  17.00 +/- 3.21   0.650% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  16.03 +/- 2.30   0.669% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  15.05 +/- 0.96   0.581% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  15.68 +/- 2.93   0.685% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  19.08 +/- 3.07   0.405% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.27 +/- 1.03   1.180% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  19.95 +/- 3.76   0.349% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  18.37 +/- 3.89   1.083% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  18.81 +/- 2.94   0.368% *  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 = 2.93, residual support = 34.2:
    * O T HA    THR   46 - HB    THR   46   2.56 +/- 0.19  96.255% * 98.0777% (1.00  10.0 10.00   2.93  34.24) =  99.995%  kept
        T HA    SER   13 - HB    THR   46  27.52 +/- 4.55   0.194% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   37 - HB    THR   46  24.92 +/- 2.35   0.116% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB    THR   46  11.10 +/- 2.82   1.786% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    THR   46  12.82 +/- 0.71   0.852% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  20.60 +/- 5.77   0.306% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  23.57 +/- 4.96   0.226% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.75 +/- 1.06   0.265% *  0.0440% (0.45   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 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T QG2   THR   46 - HB    THR   46   2.17 +/- 0.01  96.493% * 99.5878% (1.00  10.0 10.00   3.00  34.24) =  99.997%  kept
          QG1   VAL   43 - HB    THR   46   9.68 +/- 1.05   1.272% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB    THR   46  14.33 +/- 5.45   0.839% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    THR   46  16.47 +/- 3.47   0.546% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.87 +/- 0.99   0.312% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  16.14 +/- 2.02   0.282% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  18.20 +/- 2.98   0.256% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HA    THR   46 - QG2   THR   46   3.02 +/- 0.27  86.934% * 98.0777% (1.00  10.0 10.00   3.00  34.24) =  99.985%  kept
          HA    PRO   58 - QG2   THR   46   9.59 +/- 3.05   7.885% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.006%
        T HA    SER   37 - QG2   THR   46  20.57 +/- 2.71   0.340% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HA    SER   13 - QG2   THR   46  22.85 +/- 3.84   0.380% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   42 - QG2   THR   46  10.71 +/- 1.25   2.224% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   THR   46  17.06 +/- 5.18   0.948% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QG2   THR   46  19.50 +/- 4.31   0.542% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  15.52 +/- 1.64   0.748% *  0.0440% (0.45   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 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HB    THR   46 - QG2   THR   46   2.17 +/- 0.01  97.997% * 99.8459% (1.00  10.0 10.00   3.00  34.24) =  99.999%  kept
          HA    LYS+ 112 - QG2   THR   46  11.35 +/- 2.53   1.640% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QG2   THR   46  16.01 +/- 3.00   0.363% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.8:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.01  96.811% * 99.0048% (0.95  10.0 10.00   2.00  10.81) =  99.993%  kept
        T QG1   VAL   42 - HA    ALA   47  11.65 +/- 1.00   0.650% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   64 - HA    ALA   47  11.72 +/- 3.34   1.921% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    ALA   47  15.52 +/- 3.39   0.617% *  0.0551% (0.53   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 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.929, support = 2.02, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.01  59.568% * 89.8868% (0.95  10.0 10.00   2.00  10.81) =  96.809%  kept
          HA    CYS   50 - QB    ALA   47   3.18 +/- 0.91  29.233% *  5.3327% (0.42   1.0  1.00   2.65   6.96) =   2.819%  kept
          HA    TRP   49 - QB    ALA   47   4.81 +/- 0.22   5.271% *  3.7966% (0.26   1.0  1.00   3.04  16.17) =   0.362%  kept
        T HA    ALA   47 - QG1   VAL   42  11.65 +/- 1.00   0.398% *  0.6885% (0.72   1.0 10.00   0.02   0.02) =   0.005%
          HA    VAL  108 - QB    ALA   47  10.16 +/- 2.67   1.995% *  0.0881% (0.93   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  108 - QG1   VAL   42   9.44 +/- 1.51   0.891% *  0.0675% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    ALA   47  10.93 +/- 2.69   1.053% *  0.0370% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QG1   VAL   42  12.21 +/- 1.74   0.391% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.23 +/- 2.14   0.316% *  0.0309% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.69 +/- 2.29   0.554% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.59 +/- 1.45   0.170% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  17.54 +/- 3.74   0.161% *  0.0139% (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 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.7, residual support = 9.16:
    * O T QB    SER   48 - HA    SER   48   2.30 +/- 0.09  76.411% * 96.0221% (1.00  10.0 10.00   1.70   9.17) =  99.954%  kept
        T QB    SER   85 - HB2   SER   82   5.52 +/- 0.41   5.975% *  0.2561% (0.27   1.0 10.00   0.02   2.90) =   0.021%
        T QB    SER   48 - HB2   SER   82  15.74 +/- 4.61   1.942% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.011%
        T QB    SER   85 - HA    SER   48  15.04 +/- 3.26   0.462% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA2   GLY   51 - HA    SER   48   8.15 +/- 1.43   2.761% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T QB    SER  117 - HA    SER   48  19.44 +/- 2.66   0.159% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.06 +/- 1.66   0.717% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  15.86 +/- 3.43   0.408% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  27.68 +/- 7.06   0.072% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  19.78 +/- 3.80   0.185% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   48  17.13 +/- 5.86   0.618% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  10.70 +/- 6.24   2.084% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.82 +/- 3.50   0.551% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.51 +/- 1.86   1.891% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  24.97 +/- 3.58   0.074% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.03 +/- 5.22   0.782% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  14.28 +/- 3.48   0.978% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  23.79 +/- 3.48   0.089% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  14.87 +/- 4.77   0.525% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  23.62 +/- 3.35   0.092% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  10.62 +/- 2.21   2.278% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  25.58 +/- 3.10   0.065% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  22.47 +/- 4.30   0.138% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.86 +/- 1.73   0.220% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  21.87 +/- 3.31   0.131% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  30.34 +/- 8.39   0.097% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  23.79 +/- 2.63   0.088% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  31.37 +/- 4.56   0.038% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  30.76 +/- 3.54   0.037% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  21.00 +/- 2.94   0.131% *  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 = 0.995, support = 4.13, residual support = 78.6:
    * O T HB2   TRP   49 - HA    TRP   49   2.46 +/- 0.16  86.098% * 50.9151% (1.00  10.0 10.00   4.21  86.03) =  90.931%  kept
        T HB2   TRP   49 - HA    CYS   50   5.42 +/- 0.28   9.094% * 47.9899% (0.94   1.0 10.00   3.31   4.26) =   9.052%  kept
        T HA2   GLY  109 - HA    CYS   50  13.97 +/- 3.63   1.045% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.008%
        T HA2   GLY  109 - HA    TRP   49  16.65 +/- 3.81   0.702% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HA    ALA   84 - HA    TRP   49  15.70 +/- 3.38   0.788% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HA    CYS   50  14.48 +/- 2.49   0.567% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HA    CYS   50  20.45 +/- 3.21   0.263% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  18.64 +/- 2.18   0.259% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  21.55 +/- 2.43   0.145% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  23.42 +/- 2.97   0.139% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  15.04 +/- 2.88   0.537% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  17.09 +/- 3.83   0.362% *  0.0069% (0.14   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 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.83, support = 4.1, residual support = 76.5:
    * O T HB3   TRP   49 - HA    TRP   49   2.46 +/- 0.24  86.657% * 51.4295% (0.84  10.0 10.00   4.21  86.03) =  88.307%  kept
        T HB3   TRP   49 - HA    CYS   50   5.74 +/- 0.77  12.173% * 48.4748% (0.79   1.0 10.00   3.24   4.26) =  11.692%  kept
          HB3   PHE   59 - HA    CYS   50  12.90 +/- 1.62   0.659% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  16.17 +/- 1.97   0.511% *  0.0493% (0.80   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 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.13, residual support = 78.6:
    * O T HA    TRP   49 - HB2   TRP   49   2.46 +/- 0.16  84.931% * 51.0809% (1.00  10.0 10.00   4.21  86.03) =  90.909%  kept
        T HA    CYS   50 - HB2   TRP   49   5.42 +/- 0.28   8.967% * 48.3205% (0.95   1.0 10.00   3.31   4.26) =   9.079%  kept
        T HA1   GLY  109 - HB2   TRP   49  16.57 +/- 4.48   0.984% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.010%
          HA    ALA   47 - HB2   TRP   49   6.97 +/- 0.37   3.872% *  0.0142% (0.28   1.0  1.00   0.02  16.17) =   0.001%
          HA    LYS+ 102 - HB2   TRP   49  28.25 +/- 6.30   0.320% *  0.0330% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.57 +/- 4.32   0.801% *  0.0101% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  24.58 +/- 5.37   0.125% *  0.0483% (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 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 86.0:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.864% * 99.9042% (0.84  10.0 10.00   3.12  86.03) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  16.35 +/- 1.51   0.136% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.829, support = 4.1, residual support = 76.4:
    * O T HA    TRP   49 - HB3   TRP   49   2.46 +/- 0.24  80.956% * 51.0568% (0.84  10.0 10.00   4.21  86.03) =  88.259%  kept
        T HA    CYS   50 - HB3   TRP   49   5.74 +/- 0.77  11.321% * 48.2977% (0.79   1.0 10.00   3.24   4.26) =  11.675%  kept
          HA    ALA   47 - HB3   TRP   49   6.46 +/- 0.59   5.973% *  0.5048% (0.23   1.0  1.00   0.71  16.17) =   0.064%
          HA1   GLY  109 - HB3   TRP   49  16.81 +/- 4.33   0.870% *  0.0493% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB3   TRP   49  24.55 +/- 5.68   0.164% *  0.0483% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.72 +/- 4.01   0.571% *  0.0101% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  28.05 +/- 6.06   0.145% *  0.0330% (0.54   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 86.0:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  98.803% * 99.6151% (0.84  10.0 10.00   3.12  86.03) =  99.999%  kept
          HA2   GLY  109 - HB3   TRP   49  16.57 +/- 4.14   0.529% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  15.05 +/- 3.55   0.394% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  22.35 +/- 2.30   0.054% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.00 +/- 2.84   0.048% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  17.36 +/- 4.23   0.171% *  0.0135% (0.11   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 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 = 0.994, support = 1.92, residual support = 7.24:
    * O T QB    CYS   50 - HA    CYS   50   2.30 +/- 0.15  84.928% * 51.3514% (1.00  10.0 10.00   1.79   7.57) =  90.313%  kept
        T QB    CYS   50 - HA    TRP   49   4.82 +/- 0.22   9.661% * 48.4012% (0.94   1.0 10.00   3.06   4.26) =   9.684%  kept
          QE    LYS+  74 - HA    CYS   50  12.75 +/- 2.84   0.854% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    TRP   49  14.60 +/- 3.96   0.882% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50  13.40 +/- 4.88   1.794% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49  14.41 +/- 5.88   1.306% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  23.58 +/- 4.10   0.164% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  25.65 +/- 4.87   0.104% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.77 +/- 1.71   0.168% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  21.15 +/- 2.45   0.139% *  0.0165% (0.32   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 1.92, residual support = 7.24:
    * O T HA    CYS   50 - QB    CYS   50   2.30 +/- 0.15  78.975% * 50.1308% (1.00  10.0 10.00   1.79   7.57) =  89.878%  kept
        T HA    TRP   49 - QB    CYS   50   4.82 +/- 0.22   8.971% * 47.4217% (0.95   1.0 10.00   3.06   4.26) =   9.658%  kept
          HA    ALA   47 - QB    CYS   50   5.24 +/- 0.58   8.765% *  2.3177% (0.45   1.0  1.00   2.06   6.96) =   0.461%  kept
          HA1   GLY  109 - QB    CYS   50  12.99 +/- 2.90   0.930% *  0.0500% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    CYS   50  12.56 +/- 3.22   1.960% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QB    CYS   50  19.33 +/- 3.99   0.216% *  0.0401% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.22 +/- 4.09   0.183% *  0.0225% (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 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 = 7.04, residual support = 223.1:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  81.057% * 99.8323% (1.00  10.0 10.00   7.04 223.17) =  99.992%  kept
          HA    ALA   91 - HD2   PRO   52  10.64 +/- 3.56  11.395% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HD2   PRO   52  13.60 +/- 1.86   2.594% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  107 - HD2   PRO   52  15.73 +/- 3.73   4.568% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HD2   PRO   52  25.21 +/- 2.78   0.385% *  0.0525% (0.53   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 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 223.2:
    * O T HB2   PRO   52 - HD2   PRO   52   3.98 +/- 0.08  96.548% * 99.5699% (1.00  10.0 10.00   6.59 223.17) =  99.993%  kept
        T HG2   MET   96 - HD2   PRO   52  19.01 +/- 3.33   1.643% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          HB2   ASP-  62 - HD2   PRO   52  15.89 +/- 1.76   1.809% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.39 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 = 0.996, support = 6.63, residual support = 221.9:
    * O T HB3   PRO   52 - HD2   PRO   52   3.91 +/- 0.08  61.096% * 95.8554% (1.00  10.0 10.00   6.66 223.17) =  99.431%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.80 +/- 0.72  13.202% *  2.4072% (0.38   1.0  1.00   1.34   1.91) =   0.540%  kept
        T QB    LYS+  81 - HD2   PRO   52  17.05 +/- 4.61   3.930% *  0.1479% (0.15   1.0 10.00   0.02   0.02) =   0.010%
        T HG    LEU  123 - HD2   PRO   52  21.79 +/- 2.67   0.458% *  0.9586% (1.00   1.0 10.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - HD2   PRO   52  10.28 +/- 3.42  10.091% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB3   GLN   90 - HD2   PRO   52  12.02 +/- 3.59   5.608% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HD2   PRO   52  20.74 +/- 4.68   2.208% *  0.0327% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  22.45 +/- 4.15   0.577% *  0.0860% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD2   PRO   52  27.24 +/- 2.17   0.198% *  0.2390% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   52  18.02 +/- 2.36   0.769% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  22.45 +/- 2.80   0.398% *  0.0733% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.47 +/- 4.75   0.703% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  23.90 +/- 3.03   0.315% *  0.0430% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  24.88 +/- 4.23   0.449% *  0.0148% (0.15   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 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 223.2:
    * O T HG2   PRO   52 - HD2   PRO   52   2.30 +/- 0.00  94.807% * 99.6094% (1.00  10.0 10.00   6.43 223.17) =  99.997%  kept
          HG2   MET   92 - HD2   PRO   52  10.96 +/- 3.32   3.520% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD2   PRO   52  14.04 +/- 2.49   0.692% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD2   PRO   52  18.44 +/- 4.18   0.303% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  29.33 +/- 5.04   0.111% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.57 +/- 1.55   0.532% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  32.99 +/- 2.80   0.035% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 223.1:
    * O T HG3   PRO   52 - HD2   PRO   52   2.87 +/- 0.00  93.382% * 98.5427% (1.00  10.0 10.00   6.43 223.17) =  99.985%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.66 +/- 1.40   1.237% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.013%
          HB2   PRO   93 - HD2   PRO   52  10.29 +/- 3.56   4.517% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLN   32 - HD2   PRO   52  27.32 +/- 2.93   0.126% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  31.76 +/- 3.93   0.093% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  23.73 +/- 4.86   0.417% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  24.98 +/- 3.02   0.168% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.48 +/- 5.46   0.060% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 223.2:
    * O T HB2   PRO   52 - HA    PRO   52   2.43 +/- 0.20  99.247% * 99.5699% (1.00  10.0 10.00   5.23 223.17) =  99.999%  kept
        T HG2   MET   96 - HA    PRO   52  20.08 +/- 2.99   0.241% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  14.58 +/- 1.35   0.512% *  0.0564% (0.57   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 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.1:
    * O T HB3   PRO   52 - HA    PRO   52   2.60 +/- 0.20  78.172% * 99.2796% (1.00  10.0 10.00   6.19 223.17) =  99.988%  kept
          HG2   ARG+  54 - HA    PRO   52   5.71 +/- 1.37  15.525% *  0.0373% (0.38   1.0  1.00   0.02   1.91) =   0.007%
        T QB    LYS+  81 - HA    PRO   52  19.31 +/- 4.59   0.665% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    PRO   52  10.02 +/- 3.78   2.860% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   52  19.75 +/- 3.24   0.382% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.70 +/- 3.97   0.555% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  17.57 +/- 1.81   0.302% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  14.41 +/- 3.58   0.733% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.31 +/- 3.61   0.159% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.11 +/- 2.94   0.153% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.30 +/- 3.92   0.166% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  23.47 +/- 2.71   0.131% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.56 +/- 3.51   0.125% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.81 +/- 2.40   0.072% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.1:
    * O T HG2   PRO   52 - HA    PRO   52   3.97 +/- 0.00  79.754% * 99.6094% (1.00  10.0 10.00   5.98 223.17) =  99.985%  kept
          HG2   MET   92 - HA    PRO   52  11.73 +/- 3.62  10.726% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU- 114 - HA    PRO   52  12.83 +/- 2.58   4.591% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HA    PRO   52  20.53 +/- 3.54   0.794% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PRO   52  11.57 +/- 1.20   3.655% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    PRO   52  30.61 +/- 4.88   0.331% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  33.42 +/- 3.11   0.148% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.23 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 5.94, residual support = 223.0:
    * O T HG3   PRO   52 - HA    PRO   52   3.88 +/- 0.00  80.896% * 98.7160% (1.00  10.0 10.00   5.95 223.17) =  99.932%  kept
        T HG2   PRO   58 - HA    PRO   52  10.35 +/- 1.51   5.077% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.063%
          HB2   PRO   93 - HA    PRO   52  10.51 +/- 3.98  12.490% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  14 - HA    PRO   52  32.04 +/- 3.49   0.203% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  24.62 +/- 2.60   0.358% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  37.68 +/- 5.76   0.133% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  25.15 +/- 4.48   0.599% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.03 +/- 2.95   0.245% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.63 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.04, residual support = 223.1:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  85.976% * 99.4673% (1.00  10.0 10.00   7.04 223.17) =  99.990%  kept
          HA    SER   48 - HA    PRO   52  10.46 +/- 1.78   6.917% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   88 - HA    PRO   52  17.88 +/- 3.00   1.281% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HA    PRO   52  19.36 +/- 3.94   1.620% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    PRO   52  18.73 +/- 2.39   0.971% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HA    PRO   52  22.95 +/- 4.45   0.776% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  19.68 +/- 2.61   1.071% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  30.58 +/- 3.40   0.219% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  29.19 +/- 4.97   0.318% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  24.64 +/- 4.59   0.453% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.74 +/- 3.10   0.214% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.80 +/- 2.88   0.185% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.62 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 223.2:
    * O T HA    PRO   52 - HB2   PRO   52   2.43 +/- 0.20  88.565% * 99.4915% (1.00  10.0 10.00   5.23 223.17) =  99.995%  kept
          HA    LYS+ 111 - HB2   PRO   52  11.74 +/- 2.82   2.440% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB2   PRO   52  12.27 +/- 4.40   4.342% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    PRO   52 - HG2   MET   96  20.08 +/- 2.99   0.215% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   MET   96   9.18 +/- 0.98   2.385% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  15.15 +/- 3.47   0.670% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  15.38 +/- 3.92   0.484% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.25 +/- 1.85   0.336% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  26.84 +/- 3.03   0.099% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.17 +/- 1.93   0.463% *  0.0090% (0.09   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 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 0.998, support = 6.46, residual support = 222.6:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  75.996% * 96.7992% (1.00  10.0 10.00   6.48 223.17) =  99.718%  kept
          HG12  ILE  103 - HG2   MET   96   4.52 +/- 1.79  10.039% *  2.0332% (0.26   1.0  1.00   1.59   5.90) =   0.277%  kept
          HB    VAL   41 - HG2   MET   96   8.41 +/- 2.49   3.988% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB2   PRO   52  10.18 +/- 4.70   2.360% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HB2   PRO   52  18.99 +/- 5.33   0.420% *  0.1494% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PRO   52   7.78 +/- 1.20   1.145% *  0.0363% (0.38   1.0  1.00   0.02   1.91) =   0.001%
          HB    ILE  103 - HG2   MET   96   6.28 +/- 1.55   2.443% *  0.0117% (0.12   1.0  1.00   0.02   5.90) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.15 +/- 3.00   0.081% *  0.2844% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.98 +/- 4.00   0.481% *  0.0439% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.55 +/- 1.32   0.848% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  20.84 +/- 3.28   0.076% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  13.97 +/- 4.37   0.372% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  20.51 +/- 4.28   0.145% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  23.01 +/- 4.07   0.047% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.66 +/- 1.96   0.070% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.33 +/- 3.60   0.045% *  0.0740% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.40 +/- 1.21   0.572% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  16.71 +/- 2.88   0.145% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.87 +/- 4.28   0.048% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  20.45 +/- 3.51   0.063% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.71 +/- 1.04   0.171% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  24.54 +/- 2.67   0.031% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  19.58 +/- 2.50   0.064% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  16.57 +/- 2.59   0.112% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.03 +/- 2.79   0.069% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  17.86 +/- 3.36   0.110% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  25.27 +/- 3.87   0.037% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  28.31 +/- 2.70   0.020% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.1:
    * O T HG2   PRO   52 - HB2   PRO   52   2.76 +/- 0.30  79.533% * 99.0292% (1.00  10.0 10.00   6.19 223.17) =  99.953%  kept
          HG2   MET   92 - HB2   PRO   52  11.33 +/- 4.47  13.771% *  0.2416% (0.65   1.0  1.00   0.08   0.02) =   0.042%
        T HG2   PRO   52 - HG2   MET   96  18.49 +/- 3.28   0.469% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB2   PRO   52  12.72 +/- 2.71   1.704% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HB2   PRO   52  20.59 +/- 4.50   0.300% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.31 +/- 1.39   1.081% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.47 +/- 2.50   0.594% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  14.60 +/- 1.69   0.704% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.11 +/- 1.13   0.849% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  21.07 +/- 5.08   0.317% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  31.13 +/- 5.03   0.076% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.57 +/- 2.93   0.249% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  33.96 +/- 3.46   0.050% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.08 +/- 2.01   0.303% *  0.0045% (0.05   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 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.999, support = 6.15, residual support = 222.9:
    * O T HG3   PRO   52 - HB2   PRO   52   2.46 +/- 0.23  82.278% * 97.5937% (1.00  10.0 10.00   6.16 223.17) =  99.900%  kept
          HB2   PRO   93 - HB2   PRO   52  10.76 +/- 4.91  13.634% *  0.5074% (0.31   1.0  1.00   0.34   0.02) =   0.086%
        T HG2   PRO   58 - HB2   PRO   52  11.79 +/- 1.72   0.967% *  0.9759% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   PRO   58 - HG2   MET   96  18.54 +/- 1.80   0.228% *  0.2867% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  20.06 +/- 3.36   0.221% *  0.2867% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG2   MET   96  12.50 +/- 1.35   0.721% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.67 +/- 3.97   0.212% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  32.97 +/- 3.46   0.043% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  25.69 +/- 2.66   0.087% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  25.63 +/- 4.97   0.206% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  16.26 +/- 3.86   0.486% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  38.73 +/- 5.34   0.028% *  0.0957% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  16.12 +/- 5.22   0.575% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  20.28 +/- 2.65   0.189% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  30.62 +/- 4.11   0.055% *  0.0281% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  28.42 +/- 3.19   0.070% *  0.0193% (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 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 223.1:
    * O T HD2   PRO   52 - HB2   PRO   52   3.98 +/- 0.08  69.646% * 99.0230% (1.00  10.0 10.00   6.59 223.17) =  99.981%  kept
        T HD2   PRO   52 - HG2   MET   96  19.01 +/- 3.33   1.185% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB2   PRO   52  11.04 +/- 1.56   4.179% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   88 - HB2   PRO   52  17.21 +/- 3.62   1.292% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   MET   96  16.96 +/- 5.77   3.568% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   PRO   52  18.73 +/- 4.73   1.844% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   MET   96  16.95 +/- 4.47   1.790% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   MET   96  15.79 +/- 5.55   2.944% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  19.92 +/- 2.44   0.640% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   PRO   52  22.51 +/- 5.44   0.854% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  21.98 +/- 5.22   2.034% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  18.12 +/- 2.67   1.138% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  17.57 +/- 2.34   1.196% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  16.79 +/- 5.02   1.726% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  31.00 +/- 3.76   0.170% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.51 +/- 2.87   0.797% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  17.05 +/- 4.11   1.364% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  30.23 +/- 5.13   0.216% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  25.56 +/- 5.04   0.340% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  18.37 +/- 4.32   1.092% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  19.19 +/- 3.45   0.796% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  31.24 +/- 3.40   0.165% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  18.66 +/- 2.99   0.879% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  32.32 +/- 3.24   0.144% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.2:
    * O T HA    PRO   52 - HB3   PRO   52   2.60 +/- 0.20  80.397% * 99.6990% (1.00  10.0 10.00   6.19 223.17) =  99.995%  kept
          HA    LYS+ 111 - HB3   PRO   52  11.03 +/- 2.54   2.181% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   PRO   52  11.71 +/- 4.03   3.520% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  19.31 +/- 4.59   0.673% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   PRO   52  14.44 +/- 3.33   1.317% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  19.64 +/- 4.70   8.182% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.76 +/- 2.62   2.896% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  26.37 +/- 2.15   0.081% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  18.57 +/- 5.74   0.542% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  21.65 +/- 4.30   0.211% *  0.0074% (0.07   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 223.2:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  98.499% * 99.4073% (1.00  10.0 10.00   6.48 223.17) =  99.999%  kept
        T HB2   PRO   52 - QB    LYS+  81  18.99 +/- 5.33   0.546% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HB3   PRO   52  19.15 +/- 3.00   0.106% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.98 +/- 4.00   0.619% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  15.63 +/- 1.67   0.161% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  21.25 +/- 2.95   0.069% *  0.0065% (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 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 = 223.0:
    * O T HG2   PRO   52 - HB3   PRO   52   2.50 +/- 0.30  73.781% * 99.2401% (1.00  10.0 10.00   6.22 223.17) =  99.947%  kept
          HG2   MET   92 - HB3   PRO   52  10.77 +/- 4.03  13.183% *  0.2607% (0.65   1.0  1.00   0.08   0.02) =   0.047%
        T HG2   PRO   52 - QB    LYS+  81  17.38 +/- 5.08   1.836% *  0.1138% (0.11   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HB3   PRO   52  12.11 +/- 2.53   1.547% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - QB    LYS+  81   7.07 +/- 0.90   4.672% *  0.0091% (0.09   1.0  1.00   0.02   0.60) =   0.001%
          HB2   GLU-  79 - HB3   PRO   52  20.26 +/- 4.12   0.302% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  14.04 +/- 3.24   2.911% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  30.61 +/- 4.40   0.095% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  12.99 +/- 1.14   0.573% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  20.26 +/- 7.28   0.471% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  22.11 +/- 3.34   0.165% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.70 +/- 3.19   0.347% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  33.54 +/- 3.17   0.037% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  26.89 +/- 3.63   0.082% *  0.0074% (0.07   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 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.18, residual support = 222.6:
    * O T HG3   PRO   52 - HB3   PRO   52   2.65 +/- 0.23  86.629% * 93.3433% (1.00  10.0 10.00   6.19 223.17) =  99.729%  kept
        T HB2   PRO   93 - HB3   PRO   52  10.26 +/- 4.12   3.911% *  5.2250% (0.31   1.0 10.00   0.36   0.02) =   0.252%  kept
        T HG2   PRO   58 - HB3   PRO   52  11.58 +/- 1.68   1.301% *  0.9334% (1.00   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   PRO   52 - QB    LYS+  81  18.16 +/- 5.42   2.533% *  0.1071% (0.11   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   PRO   58 - QB    LYS+  81  22.27 +/- 3.33   0.191% *  0.1071% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  32.60 +/- 3.54   0.069% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81  15.21 +/- 7.51   2.958% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  25.42 +/- 2.79   0.121% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  38.40 +/- 5.40   0.044% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.59 +/- 2.84   1.002% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  26.96 +/- 6.09   0.188% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  25.11 +/- 4.26   0.138% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  32.22 +/- 6.34   0.152% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  28.01 +/- 2.79   0.086% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  24.27 +/- 4.55   0.386% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  20.87 +/- 4.45   0.290% *  0.0021% (0.02   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 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 6.65, residual support = 222.4:
    * O T HD2   PRO   52 - HB3   PRO   52   3.91 +/- 0.08  41.310% * 97.2468% (1.00  10.0 10.00   6.66 223.17) =  99.640%  kept
          HB2   SER   82 - QB    LYS+  81   5.37 +/- 0.63  17.974% *  0.7482% (0.04   1.0  1.00   3.93  19.91) =   0.334%  kept
        T HD2   PRO   52 - QB    LYS+  81  17.05 +/- 4.61   2.880% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.008%
          HA    SER   48 - HB3   PRO   52  10.81 +/- 1.63   2.750% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - QB    LYS+  81   5.10 +/- 0.75  22.088% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HB3   PRO   52  30.52 +/- 3.37   0.100% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   PRO   52  16.68 +/- 3.35   0.833% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   PRO   52  18.45 +/- 4.32   1.317% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - QB    LYS+  81   9.25 +/- 1.35   3.683% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  23.09 +/- 4.50   0.297% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   48 - QB    LYS+  81  14.32 +/- 4.13   2.972% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  30.76 +/- 2.73   0.095% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  19.66 +/- 2.30   0.369% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PRO   52  22.15 +/- 4.90   0.482% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.88 +/- 2.76   0.083% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  22.21 +/- 5.55   0.413% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  20.20 +/- 2.96   0.450% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  29.89 +/- 5.24   0.128% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  25.17 +/- 4.84   0.195% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  24.62 +/- 3.93   0.214% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  18.98 +/- 3.03   0.456% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  21.68 +/- 7.41   0.520% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  27.16 +/- 7.14   0.256% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.54 +/- 2.95   0.137% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.44 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.1:
    * O T HA    PRO   52 - HG2   PRO   52   3.97 +/- 0.00  75.358% * 99.8323% (1.00  10.0 10.00   5.98 223.17) =  99.989%  kept
          HA    ALA   91 - HG2   PRO   52  10.50 +/- 4.29  16.453% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HA    LYS+ 111 - HG2   PRO   52  12.25 +/- 2.27   3.905% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HG2   PRO   52  14.69 +/- 3.58   3.957% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   52  25.69 +/- 2.82   0.327% *  0.0525% (0.53   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 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.2:
    * O T HB2   PRO   52 - HG2   PRO   52   2.76 +/- 0.30  98.809% * 99.5699% (1.00  10.0 10.00   6.19 223.17) =  99.997%  kept
        T HG2   MET   96 - HG2   PRO   52  18.49 +/- 3.28   0.576% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASP-  62 - HG2   PRO   52  16.26 +/- 1.73   0.615% *  0.0564% (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 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 223.1:
    * O T HB3   PRO   52 - HG2   PRO   52   2.50 +/- 0.30  81.243% * 99.2796% (1.00  10.0 10.00   6.22 223.17) =  99.990%  kept
        T QB    LYS+  81 - HG2   PRO   52  17.38 +/- 5.08   2.026% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          HG2   PRO   93 - HG2   PRO   52   9.81 +/- 4.16   8.226% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HG2   PRO   52   8.14 +/- 0.80   2.854% *  0.0373% (0.38   1.0  1.00   0.02   1.91) =   0.001%
          HB3   GLN   90 - HG2   PRO   52  12.05 +/- 4.33   3.485% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   PRO   52  19.90 +/- 4.68   0.825% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.84 +/- 4.12   0.197% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  21.69 +/- 2.89   0.162% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  18.57 +/- 2.16   0.249% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.33 +/- 3.24   0.177% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.73 +/- 4.60   0.216% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  24.37 +/- 2.87   0.107% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.30 +/- 4.21   0.153% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  27.49 +/- 2.33   0.082% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 223.2:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  97.710% * 98.7160% (1.00  10.0 10.00   5.97 223.17) =  99.996%  kept
        T HG2   PRO   58 - HG2   PRO   52  12.80 +/- 1.51   0.280% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HG2   PRO   52  10.08 +/- 4.22   1.835% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HG2   PRO   52  32.31 +/- 3.74   0.020% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  25.47 +/- 2.86   0.037% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  38.16 +/- 5.14   0.013% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  24.23 +/- 4.92   0.077% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  27.50 +/- 3.03   0.029% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 223.2:
    * O T HD2   PRO   52 - HG2   PRO   52   2.30 +/- 0.00  95.563% * 99.4673% (1.00  10.0 10.00   6.43 223.17) =  99.997%  kept
          HA    SER   48 - HG2   PRO   52   9.17 +/- 1.35   2.213% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   PRO   52  15.18 +/- 3.49   0.612% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   PRO   52  17.04 +/- 4.35   0.616% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.65 +/- 5.24   0.343% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  19.48 +/- 2.81   0.194% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.98 +/- 3.65   0.051% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  21.34 +/- 2.59   0.155% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  29.86 +/- 5.56   0.060% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  24.91 +/- 5.46   0.102% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  30.12 +/- 3.19   0.050% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.40 +/- 2.90   0.041% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.94, residual support = 223.0:
    * O T HA    PRO   52 - HG3   PRO   52   3.88 +/- 0.00  67.660% * 98.8988% (1.00  10.0 10.00   5.95 223.17) =  99.935%  kept
        T HA    PRO   52 - HG2   PRO   58  10.35 +/- 1.51   4.237% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.051%
          HA    ALA   91 - HG3   PRO   52  11.43 +/- 4.56  12.883% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HA    LYS+ 111 - HG3   PRO   52  13.04 +/- 2.59   3.322% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG2   PRO   58  11.90 +/- 2.68   3.549% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL  107 - HG2   PRO   58  13.74 +/- 2.63   4.313% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG3   PRO   52  16.03 +/- 3.65   2.167% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   58  21.57 +/- 4.03   0.820% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HG2   PRO   58  17.35 +/- 1.85   0.822% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  27.16 +/- 2.77   0.226% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.13 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.1:
    * O T HB2   PRO   52 - HG3   PRO   52   2.46 +/- 0.23  88.641% * 98.4337% (1.00  10.0 10.00   6.16 223.17) =  99.983%  kept
        T HB2   PRO   52 - HG2   PRO   58  11.79 +/- 1.72   1.085% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.010%
          HB2   ASP-  62 - HG2   PRO   58   6.23 +/- 1.44   9.494% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.005%
        T HG2   MET   96 - HG3   PRO   52  20.06 +/- 3.36   0.242% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG2   PRO   58  18.54 +/- 1.80   0.250% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  17.38 +/- 1.61   0.287% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.1:
    * O T HB3   PRO   52 - HG3   PRO   52   2.65 +/- 0.23  73.890% * 97.4419% (1.00  10.0 10.00   6.19 223.17) =  99.957%  kept
        T HB3   PRO   52 - HG2   PRO   58  11.58 +/- 1.68   1.107% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   PRO   93 - HG3   PRO   52  11.07 +/- 4.17   2.509% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   PRO   93 - HG2   PRO   58  10.95 +/- 2.33   1.543% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.005%
        T QB    LYS+  81 - HG3   PRO   52  18.16 +/- 5.42   2.152% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HG2   PRO   58  11.05 +/- 2.34   2.809% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HG2   PRO   58   8.40 +/- 1.55   4.144% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG3   PRO   52   8.63 +/- 0.95   2.630% *  0.0366% (0.38   1.0  1.00   0.02   1.91) =   0.001%
          QB    LYS+  66 - HG2   PRO   58  11.46 +/- 2.58   2.141% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HG3   PRO   52  12.56 +/- 4.80   2.762% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG3   PRO   52  21.34 +/- 4.68   0.668% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.27 +/- 3.33   0.162% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  16.53 +/- 3.34   0.540% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  18.79 +/- 2.07   0.316% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.62 +/- 3.18   0.195% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  23.39 +/- 4.20   0.185% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  17.16 +/- 2.88   0.470% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  20.90 +/- 2.17   0.176% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.65 +/- 2.08   0.223% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.93 +/- 3.30   0.135% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  24.22 +/- 4.69   0.228% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.21 +/- 2.16   0.156% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  25.67 +/- 2.79   0.099% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.55 +/- 3.61   0.210% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.46 +/- 2.03   0.180% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  25.63 +/- 4.31   0.172% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.81 +/- 2.15   0.137% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  28.82 +/- 2.34   0.062% *  0.0243% (0.25   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 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 220.1:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  68.095% * 86.8129% (1.00  10.0 10.00   5.97 223.17) =  95.950%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.62 +/- 0.32  22.950% * 10.8440% (0.12  10.0 10.00   4.27 147.97) =   4.039%  kept
          HG2   MET   92 - HG3   PRO   52  11.30 +/- 4.32   6.208% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.006%
        T HG2   PRO   52 - HG2   PRO   58  12.80 +/- 1.51   0.195% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HG2   PRO   58  10.58 +/- 2.45   1.794% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HG3   PRO   52  14.79 +/- 1.15   0.122% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  13.95 +/- 2.60   0.229% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  27.18 +/- 3.77   0.026% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  15.13 +/- 2.76   0.162% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  20.11 +/- 4.77   0.086% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.66 +/- 3.13   0.010% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  27.10 +/- 6.57   0.062% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.51 +/- 1.85   0.039% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  31.10 +/- 4.95   0.022% *  0.0821% (0.95   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 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 = 6.43, residual support = 223.1:
    * O T HD2   PRO   52 - HG3   PRO   52   2.87 +/- 0.00  85.021% * 96.1754% (1.00  10.0 10.00   6.43 223.17) =  99.978%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.66 +/- 1.40   1.126% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.011%
          HA    SER   48 - HG3   PRO   52  10.02 +/- 1.37   2.762% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   PRO   58  25.32 +/- 4.49   0.207% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - HG2   PRO   58  15.11 +/- 4.01   2.212% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG3   PRO   52  15.85 +/- 3.83   0.915% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   PRO   52  31.47 +/- 3.66   0.075% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   PRO   52  17.70 +/- 4.81   1.361% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  13.04 +/- 1.61   1.083% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HG2   PRO   58  25.75 +/- 4.86   0.202% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  11.41 +/- 1.82   2.296% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  25.91 +/- 4.02   0.176% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  31.57 +/- 3.17   0.074% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  21.64 +/- 5.60   0.536% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  20.76 +/- 2.81   0.269% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  23.51 +/- 2.53   0.175% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  32.90 +/- 2.91   0.062% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  21.85 +/- 3.18   0.233% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  18.30 +/- 2.91   0.390% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.34 +/- 3.00   0.208% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.32 +/- 2.84   0.246% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  31.25 +/- 5.42   0.088% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  26.37 +/- 5.30   0.142% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  25.73 +/- 2.88   0.141% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 44.9:
    * O T HB2   CYS   53 - HA    CYS   53   2.95 +/- 0.16  80.831% * 89.5556% (1.00  10.0 10.00   2.96  44.79) =  98.781%  kept
          HD3   PRO   52 - HA    CYS   53   6.22 +/- 0.06   8.813% * 10.0747% (0.69   1.0  1.00   3.28  55.60) =   1.212%  kept
          HD2   PRO   58 - HA    CYS   53   7.13 +/- 1.78   9.094% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   SER   82 - HA    CYS   53  19.89 +/- 3.68   0.432% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HA    CYS   53  17.79 +/- 2.60   0.527% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  25.09 +/- 2.35   0.151% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  25.82 +/- 3.06   0.152% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.36, residual support = 44.0:
    * O T HB3   CYS   53 - HA    CYS   53   2.56 +/- 0.18  65.206% * 79.1095% (1.00  10.0 10.00   3.39  44.79) =  97.667%  kept
          QB    PHE   55 - HA    CYS   53   4.09 +/- 0.46  18.261% *  4.1470% (0.87   1.0  1.00   1.21   0.02) =   1.434%  kept
          HD2   ARG+  54 - HA    CYS   53   7.76 +/- 0.41   2.509% * 16.0364% (0.99   1.0  1.00   4.09  31.69) =   0.762%  kept
          HD3   PRO   93 - HA    CYS   53   7.26 +/- 3.80  12.263% *  0.5861% (0.95   1.0  1.00   0.16   0.02) =   0.136%  kept
          HB2   PHE   59 - HA    CYS   53   9.50 +/- 1.18   1.572% *  0.0480% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    CYS   53  18.74 +/- 2.45   0.189% *  0.0730% (0.92   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 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.8:
    * O T HA    CYS   53 - HB2   CYS   53   2.95 +/- 0.16  97.505% * 98.9901% (1.00  10.0 10.00   2.96  44.79) =  99.996%  kept
        T HA    GLU-  25 - HB2   CYS   53  24.67 +/- 4.05   0.409% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T HA    SER   82 - HB2   CYS   53  18.91 +/- 3.17   0.530% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB2   CYS   53  21.53 +/- 3.63   0.298% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  15.38 +/- 2.24   1.028% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  25.23 +/- 3.21   0.230% *  0.0482% (0.49   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 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.46, residual support = 44.7:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  93.126% * 79.3787% (1.00  10.0 10.00   3.46  44.79) =  99.538%  kept
          HD2   ARG+  54 - HB2   CYS   53   7.10 +/- 0.59   1.539% * 17.1790% (0.99   1.0  1.00   4.37  31.69) =   0.356%  kept
          QB    PHE   55 - HB2   CYS   53   6.01 +/- 0.30   2.364% *  3.2458% (0.87   1.0  1.00   0.94   0.02) =   0.103%  kept
          HD3   PRO   93 - HB2   CYS   53   7.78 +/- 2.77   2.442% *  0.0751% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   CYS   53  10.77 +/- 0.83   0.430% *  0.0481% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  18.36 +/- 2.70   0.098% *  0.0733% (0.92   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 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.39, residual support = 44.8:
    * O T HA    CYS   53 - HB3   CYS   53   2.56 +/- 0.18  98.276% * 99.7562% (1.00  10.0 10.00   3.39  44.79) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  21.86 +/- 3.74   0.208% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.11 +/- 2.38   0.681% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  24.74 +/- 3.88   0.188% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.37 +/- 3.54   0.518% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  25.38 +/- 3.09   0.129% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.47, residual support = 44.8:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  95.335% * 86.5663% (1.00  10.0 10.00   3.46  44.79) =  99.547%  kept
          HD3   PRO   52 - HB3   CYS   53   5.90 +/- 0.73   2.833% * 13.2305% (0.69   1.0  1.00   4.45  55.60) =   0.452%  kept
          HD2   PRO   58 - HB3   CYS   53   8.51 +/- 1.76   1.374% *  0.0455% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB3   CYS   53  16.44 +/- 2.63   0.211% *  0.0388% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  18.42 +/- 3.71   0.164% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  24.53 +/- 2.69   0.042% *  0.0662% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  25.64 +/- 3.56   0.041% *  0.0356% (0.41   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 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 167.8:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.82 +/- 0.17  72.979% * 98.6035% (1.00  10.0 10.00   5.69 167.85) =  99.980%  kept
          HB2   PRO   93 - HA    ARG+  54   8.63 +/- 2.75   4.204% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE  119 - HA    LEU  115   5.75 +/- 1.18  12.929% *  0.0263% (0.27   1.0  1.00   0.02   8.46) =   0.005%
        T HB2   ARG+  54 - HA    LEU  115  14.17 +/- 2.65   1.049% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HA    ARG+  54  15.54 +/- 3.40   0.916% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115  10.19 +/- 2.40   2.435% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    ARG+  54  13.09 +/- 1.26   0.812% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    LEU  115  10.45 +/- 2.13   2.428% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    ARG+  54  27.24 +/- 3.84   0.178% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  32.92 +/- 5.92   0.086% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.49 +/- 2.61   0.173% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  23.53 +/- 3.38   0.167% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  19.93 +/- 3.07   0.303% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  19.63 +/- 2.96   0.314% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.46 +/- 2.93   0.139% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  28.18 +/- 3.15   0.080% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.79 +/- 2.13   0.175% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.14 +/- 3.40   0.243% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  32.04 +/- 4.72   0.064% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.75 +/- 2.70   0.326% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.995, support = 5.75, residual support = 166.4:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.75 +/- 0.66  57.079% * 86.8358% (1.00  10.0 10.00   5.80 167.85) =  99.148%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.73 +/- 0.38   3.664% *  8.9862% (0.38   1.0 10.00   0.55   1.91) =   0.659%  kept
          HB    ILE   56 - HA    ARG+  54   6.61 +/- 0.91   7.531% *  1.0415% (0.41   1.0  1.00   0.58   0.02) =   0.157%  kept
        T HG2   ARG+  54 - HA    LEU  115  14.24 +/- 2.46   1.507% *  0.2672% (0.31   1.0 10.00   0.02   0.02) =   0.008%
        T QB    LYS+  81 - HA    ARG+  54  18.56 +/- 3.34   0.388% *  0.7532% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   PRO   68 - HA    ARG+  54  18.77 +/- 2.92   0.253% *  0.8607% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HA    LEU  115   7.55 +/- 2.22  13.806% *  0.0110% (0.13   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HA    ARG+  54  15.68 +/- 3.43   1.739% *  0.0725% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PRO   52 - HA    LEU  115  13.93 +/- 2.39   1.206% *  0.1003% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LEU  115  17.56 +/- 3.46   0.357% *  0.2648% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    ARG+  54  19.02 +/- 3.51   0.974% *  0.0866% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  115  10.25 +/- 3.46   2.983% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    LEU  115   9.63 +/- 2.33   2.876% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ARG+  54  15.34 +/- 1.87   0.524% *  0.0802% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    LEU  115  21.81 +/- 2.93   0.154% *  0.2318% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    ARG+  54  22.68 +/- 3.63   0.311% *  0.0866% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    ARG+  54  16.52 +/- 2.31   0.434% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.54 +/- 1.13   1.369% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.65 +/- 2.41   0.499% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.02 +/- 2.67   0.145% *  0.0838% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  21.26 +/- 3.37   0.368% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  20.79 +/- 3.08   0.212% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  20.27 +/- 1.53   0.200% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.75 +/- 2.15   0.622% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  26.50 +/- 3.01   0.107% *  0.0241% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.48 +/- 2.91   0.187% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  20.93 +/- 4.15   0.197% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  20.07 +/- 3.31   0.308% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.14 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.981, support = 5.33, residual support = 141.3:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.22 +/- 0.47  28.980% * 72.1957% (1.00 10.00   5.59 167.85) =  82.205%  kept
          HB3   CYS   53 - HA    ARG+  54   5.23 +/- 0.40  15.766% * 14.8251% (0.99  1.00   4.14  31.69) =   9.184%  kept
          QB    PHE   55 - HA    ARG+  54   5.01 +/- 0.06  17.420% * 12.3261% (0.80  1.00   4.26   4.27) =   8.437%  kept
          HB2   PHE   59 - HA    LEU  115   5.89 +/- 1.59  17.158% *  0.1866% (0.16  1.00   0.32  28.63) =   0.126%  kept
          HD3   PRO   93 - HA    ARG+  54   9.36 +/- 2.78   8.029% *  0.0647% (0.90  1.00   0.02   0.02) =   0.020%
        T HD2   ARG+  54 - HA    LEU  115  15.40 +/- 3.06   1.955% *  0.2222% (0.31 10.00   0.02   0.02) =   0.017%
          HB2   PHE   59 - HA    ARG+  54   9.04 +/- 0.70   3.134% *  0.0380% (0.53  1.00   0.02   0.02) =   0.005%
          QB    PHE   55 - HA    LEU  115   9.99 +/- 2.02   2.971% *  0.0178% (0.25  1.00   0.02   3.66) =   0.002%
          HB3   CYS   53 - HA    LEU  115  12.75 +/- 2.40   1.992% *  0.0220% (0.30  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    ARG+  54  17.21 +/- 2.41   0.530% *  0.0626% (0.87  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    LEU  115  12.36 +/- 1.87   1.367% *  0.0199% (0.28  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    LEU  115  16.19 +/- 3.12   0.698% *  0.0193% (0.27  1.00   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 167.8:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.82 +/- 0.17  88.277% * 98.5625% (1.00  10.0 10.00   5.69 167.85) =  99.989%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.17 +/- 2.65   1.260% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.009%
        T HA    ARG+  54 - HB2   GLU-  14  27.24 +/- 3.84   0.213% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  22.97 +/- 2.91   0.226% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  20.20 +/- 3.38   0.339% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.52 +/- 2.94   2.581% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  16.34 +/- 2.72   0.897% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  17.96 +/- 3.26   1.634% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.46 +/- 2.93   0.167% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  25.49 +/- 4.01   0.167% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  32.92 +/- 5.92   0.104% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  15.45 +/- 3.88   1.169% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  26.31 +/- 3.09   0.125% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  32.04 +/- 4.72   0.077% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  31.42 +/- 3.96   0.074% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  24.12 +/- 4.48   0.241% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  29.07 +/- 3.93   0.096% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  23.19 +/- 6.74   0.640% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  24.38 +/- 5.30   0.277% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.58 +/- 4.06   0.328% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  29.69 +/- 6.62   0.161% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  20.29 +/- 2.90   0.340% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  29.62 +/- 5.60   0.121% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  35.80 +/- 6.92   0.118% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.18 +/- 6.83   0.213% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.10 +/- 3.19   0.100% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  35.63 +/- 4.80   0.053% *  0.0017% (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 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 = 0.993, support = 4.9, residual support = 158.2:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.92 +/- 0.72  60.555% * 74.0891% (1.00  10.0 10.00   4.99 167.85) =  93.601%  kept
          QB    PHE   55 - HB2   ARG+  54   4.83 +/- 0.53  15.866% * 10.3549% (0.80   1.0  1.00   3.49   4.27) =   3.428%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.26 +/- 0.70  10.004% * 13.6689% (0.99   1.0  1.00   3.72  31.69) =   2.853%  kept
        T HD3   PRO   93 - HB2   ARG+  54  10.47 +/- 2.94   7.758% *  0.6645% (0.90   1.0 10.00   0.02   0.02) =   0.108%  kept
        T HD3   PRO   68 - HB2   ARG+  54  19.42 +/- 2.51   0.308% *  0.6427% (0.87   1.0 10.00   0.02   0.02) =   0.004%
        T HD3   PRO   68 - HB2   GLU-  14  15.73 +/- 4.71   1.640% *  0.0945% (0.13   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HB2   ARG+  54  11.11 +/- 0.71   1.607% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HG2   MET   11  21.71 +/- 5.20   0.623% *  0.0621% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HB2   GLU-  14  28.48 +/- 5.55   0.309% *  0.0977% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   GLU-  14  29.32 +/- 4.41   0.208% *  0.1090% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  34.48 +/- 7.30   0.127% *  0.0716% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  35.10 +/- 6.05   0.123% *  0.0642% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  28.21 +/- 4.30   0.165% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  27.22 +/- 3.03   0.154% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.57 +/- 2.79   0.213% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  34.27 +/- 5.37   0.092% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  32.32 +/- 5.29   0.102% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  29.84 +/- 5.63   0.147% *  0.0038% (0.05   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 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 167.8:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.22 +/- 0.47  87.848% * 99.0328% (1.00 10.00   5.59 167.85) =  99.955%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.40 +/- 3.06   6.108% *  0.6007% (0.61 10.00   0.02   0.02) =   0.042%
          HA    ALA  124 - HD2   ARG+  54  23.19 +/- 3.04   0.764% *  0.0971% (0.98  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HD2   ARG+  54  21.44 +/- 3.37   0.875% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HD2   ARG+  54  17.75 +/- 3.01   2.804% *  0.0173% (0.18  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HD2   ARG+  54  26.29 +/- 4.28   0.614% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  27.07 +/- 2.74   0.417% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  32.17 +/- 3.69   0.265% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  30.31 +/- 3.29   0.304% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 167.8:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.92 +/- 0.72  92.239% * 97.9068% (1.00  10.0 10.00   4.99 167.85) =  99.962%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.80 +/- 2.60   3.492% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.033%
          HB    ILE  119 - HD2   ARG+  54  15.51 +/- 1.91   1.534% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   ARG+  54  26.34 +/- 3.56   0.216% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HD2   ARG+  54  18.76 +/- 3.37   1.190% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD2   ARG+  54  29.32 +/- 4.41   0.326% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD2   ARG+  54  34.48 +/- 7.30   0.198% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.39 +/- 2.71   0.226% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  31.56 +/- 2.97   0.138% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  21.80 +/- 3.53   0.441% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 4.92, residual support = 167.2:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.74 +/- 0.28  91.305% * 88.6380% (1.00  10.0 10.00   4.94 167.85) =  99.632%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.70 +/- 0.75   3.168% *  9.1727% (0.38   1.0 10.00   0.55   1.91) =   0.358%  kept
        T QB    LYS+  81 - HD2   ARG+  54  20.35 +/- 4.02   0.428% *  0.7689% (0.87   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   PRO   68 - HD2   ARG+  54  20.96 +/- 3.45   0.275% *  0.8785% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HD2   ARG+  54   9.53 +/- 1.16   2.585% *  0.0364% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   ARG+  54  16.85 +/- 2.76   0.536% *  0.0818% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD2   ARG+  54  18.79 +/- 3.26   0.449% *  0.0740% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.43 +/- 3.52   0.239% *  0.0884% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  18.20 +/- 2.80   0.386% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  26.20 +/- 3.39   0.124% *  0.0884% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.54 +/- 2.96   0.125% *  0.0855% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  24.84 +/- 3.04   0.141% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.38 +/- 3.12   0.155% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  29.69 +/- 3.04   0.085% *  0.0246% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.995, support = 3.67, residual support = 20.1:
    * O T QB    PHE   55 - HA    PHE   55   2.47 +/- 0.08  73.895% * 87.5064% (1.00  10.0 10.00   3.67  20.54) =  97.398%  kept
          HD2   ARG+  54 - HA    PHE   55   5.51 +/- 1.34  14.499% * 11.8674% (0.80   1.0  1.00   3.39   4.27) =   2.592%  kept
          HB3   CYS   53 - HA    PHE   55   7.97 +/- 0.22   2.218% *  0.0759% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HA    PHE   55   8.56 +/- 1.11   2.079% *  0.0785% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   55  10.95 +/- 3.13   1.317% *  0.0858% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QB    PHE   55 - HA    VAL   42  15.94 +/- 2.19   0.477% *  0.2059% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    VAL   42  12.05 +/- 2.08   2.892% *  0.0185% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    VAL   42  14.44 +/- 2.51   0.971% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  19.04 +/- 2.32   0.186% *  0.0867% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.89 +/- 1.83   0.670% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.21 +/- 2.80   0.616% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  19.72 +/- 2.30   0.178% *  0.0165% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.67, residual support = 20.5:
    * O T HA    PHE   55 - QB    PHE   55   2.47 +/- 0.08  92.482% * 97.1327% (1.00  10.0 10.00   3.67  20.54) =  99.840%  kept
          HA    ALA  110 - QB    PHE   55   7.95 +/- 2.64   6.315% *  2.2255% (0.87   1.0  1.00   0.53   0.65) =   0.156%  kept
        T HA    VAL   42 - QB    PHE   55  15.94 +/- 2.19   0.601% *  0.5499% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLN   90 - QB    PHE   55  14.36 +/- 2.56   0.603% *  0.0919% (0.95   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 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 = 0.992, support = 4.27, residual support = 120.3:
    * O T HB    ILE   56 - HA    ILE   56   2.43 +/- 0.23  85.634% * 83.6375% (1.00  10.0 10.00   4.33 122.27) =  98.398%  kept
        T HB3   PRO   58 - HA    ILE   56   6.20 +/- 1.45   7.364% * 15.7965% (0.49   1.0 10.00   0.78   0.02) =   1.598%  kept
          HG2   ARG+  54 - HA    ILE   56   7.76 +/- 0.81   3.189% *  0.0344% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    ILE   56  12.22 +/- 2.06   1.107% *  0.0575% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  13.55 +/- 1.76   0.637% *  0.0639% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE   56  15.88 +/- 2.50   0.503% *  0.0375% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  24.79 +/- 3.38   0.208% *  0.0807% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.57 +/- 2.24   0.290% *  0.0541% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.42 +/- 3.39   0.253% *  0.0607% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.08 +/- 2.59   0.157% *  0.0699% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  17.73 +/- 3.07   0.311% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.16 +/- 2.75   0.172% *  0.0474% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  20.51 +/- 1.96   0.174% *  0.0314% (0.38   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 122.3:
    * O   QG2   ILE   56 - HA    ILE   56   2.98 +/- 0.24  94.185% * 98.4757% (1.00  10.0  1.00   4.73 122.27) =  99.994%  kept
        T HG3   LYS+  38 - HA    ILE   56  25.79 +/- 3.53   0.190% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   91 - HA    ILE   56  11.86 +/- 1.75   2.172% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    ILE   56  23.15 +/- 2.40   0.238% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    ILE   56  18.06 +/- 2.07   0.490% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  18.53 +/- 2.51   0.596% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.88 +/- 3.70   0.414% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  15.39 +/- 2.28   0.865% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  21.28 +/- 2.72   0.291% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  19.24 +/- 3.29   0.559% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 122.3:
    * O T QG1   ILE   56 - HA    ILE   56   2.85 +/- 0.37  93.482% * 97.9351% (1.00  10.0 10.00   3.87 122.27) =  99.989%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.83 +/- 1.51   0.885% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   LYS+  99 - HA    ILE   56  21.76 +/- 2.66   0.260% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HA    ILE   56  20.48 +/- 2.35   0.323% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    ILE   56  11.02 +/- 2.30   3.069% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    ILE   56  16.78 +/- 3.88   1.443% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  17.19 +/- 1.78   0.538% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.05 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 122.2:
    * O T HA    ILE   56 - HB    ILE   56   2.43 +/- 0.23  87.688% * 98.4172% (1.00  10.0 10.00   4.33 122.27) =  99.980%  kept
        T HA    PRO   58 - HB    ILE   56   7.88 +/- 0.45   2.765% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP- 113 - HB    ILE   56   8.68 +/- 2.72   7.578% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LEU  123 - HB    ILE   56  16.19 +/- 1.92   0.393% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU   40 - HB    ILE   56  18.79 +/- 2.90   0.755% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.00 +/- 2.48   0.164% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  24.52 +/- 3.31   0.139% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  24.80 +/- 4.01   0.375% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.87 +/- 4.37   0.142% *  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 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 = 5.45, residual support = 122.3:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  97.238% * 98.4757% (1.00  10.0 10.00   5.45 122.27) =  99.997%  kept
          QB    ALA   91 - HB    ILE   56  10.94 +/- 2.62   1.387% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HB    ILE   56  25.74 +/- 3.55   0.074% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    ILE   56  22.65 +/- 2.46   0.089% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.02 +/- 2.12   0.185% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.63 +/- 2.46   0.208% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  21.02 +/- 3.47   0.147% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  15.38 +/- 2.46   0.328% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  19.42 +/- 3.45   0.234% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  21.57 +/- 2.86   0.109% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 122.3:
    * O T QG1   ILE   56 - HB    ILE   56   2.28 +/- 0.14  94.560% * 98.7886% (1.00  10.0 10.00   4.58 122.27) =  99.995%  kept
        T QD    LYS+ 106 - HB    ILE   56  13.86 +/- 1.60   0.529% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HB    ILE   56  20.05 +/- 2.49   0.182% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56   9.86 +/- 3.13   3.590% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - HB    ILE   56  15.88 +/- 2.48   0.362% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.68 +/- 4.36   0.630% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.22 +/- 2.64   0.147% *  0.0968% (0.98   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 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 122.3:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  87.388% * 98.4311% (1.00  10.0 10.00   5.45 122.27) =  99.990%  kept
        T HB3   LYS+  38 - QG2   ILE   56  20.54 +/- 3.30   0.189% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   ILE   56   8.44 +/- 2.42   2.382% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - QG2   ILE   56   6.44 +/- 0.93   3.808% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - QG2   ILE   56   7.41 +/- 0.69   2.252% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  10.35 +/- 1.76   1.311% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG2   ILE   56  15.34 +/- 3.27   0.555% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.72 +/- 2.58   0.567% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  12.84 +/- 2.25   0.690% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.04 +/- 2.10   0.164% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.32 +/- 2.51   0.306% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.15 +/- 2.01   0.240% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.20 +/- 2.30   0.148% *  0.0557% (0.57   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 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 = 4.84, residual support = 122.3:
    * O T QG1   ILE   56 - QG2   ILE   56   2.21 +/- 0.18  90.364% * 98.7886% (1.00  10.0 10.00   4.84 122.27) =  99.991%  kept
        T QD    LYS+ 106 - QG2   ILE   56  11.34 +/- 1.59   0.814% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  99 - QG2   ILE   56  16.73 +/- 2.37   0.288% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QG2   ILE   56   7.47 +/- 2.60   6.482% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  12.21 +/- 2.04   0.783% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QG2   ILE   56  13.40 +/- 3.31   1.040% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.62 +/- 2.53   0.229% *  0.0968% (0.98   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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 3.86, residual support = 121.7:
    * O T HA    ILE   56 - QG1   ILE   56   2.85 +/- 0.37  69.792% * 95.8749% (1.00  10.0 10.00   3.87 122.27) =  99.501%  kept
          HA    PRO   58 - QG1   ILE   56   6.41 +/- 0.71   9.596% *  2.3210% (0.28   1.0  1.00   1.74   0.02) =   0.331%  kept
        T HA    ASP- 113 - QG1   ILE   56   7.83 +/- 2.35  17.296% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.160%  kept
        T HA    LYS+  99 - QG1   ILE   56  17.24 +/- 1.92   0.442% *  0.9069% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          HA    LEU  123 - QG1   ILE   56  13.64 +/- 1.14   0.794% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QG1   ILE   56  15.10 +/- 2.51   1.344% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QG1   ILE   56  20.25 +/- 2.71   0.272% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  20.75 +/- 3.04   0.294% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.43 +/- 3.45   0.170% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.999, support = 4.57, residual support = 122.0:
    * O T HB    ILE   56 - QG1   ILE   56   2.28 +/- 0.14  88.322% * 93.4844% (1.00  10.0 10.00   4.58 122.27) =  99.766%  kept
          HB3   PRO   58 - QG1   ILE   56   6.95 +/- 0.46   3.453% *  5.2401% (0.49   1.0  1.00   2.30   0.02) =   0.219%  kept
        T QB    LYS+ 106 - QG1   ILE   56  10.32 +/- 1.44   1.267% *  0.7144% (0.76   1.0 10.00   0.02   0.02) =   0.011%
          HB2   MET   92 - QG1   ILE   56   9.65 +/- 2.31   1.751% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QG1   ILE   56   8.13 +/- 1.11   2.374% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QG1   ILE   56  16.86 +/- 3.33   0.476% *  0.0679% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  12.38 +/- 1.74   0.679% *  0.0419% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.71 +/- 2.43   0.435% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  20.48 +/- 2.84   0.178% *  0.0902% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.23 +/- 2.17   0.203% *  0.0781% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.09 +/- 2.32   0.403% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.17 +/- 1.66   0.294% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.41 +/- 2.14   0.165% *  0.0529% (0.57   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 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 122.3:
    * O T QG2   ILE   56 - QG1   ILE   56   2.21 +/- 0.18  95.848% * 98.4757% (1.00  10.0 10.00   4.84 122.27) =  99.996%  kept
        T HG3   LYS+  38 - QG1   ILE   56  21.39 +/- 2.96   0.132% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QG1   ILE   56   9.66 +/- 1.94   1.493% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QG1   ILE   56  18.77 +/- 1.81   0.165% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  14.76 +/- 1.66   0.355% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.27 +/- 2.08   0.391% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.86 +/- 2.86   0.256% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  12.50 +/- 2.58   0.823% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  17.83 +/- 2.19   0.206% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.00 +/- 2.47   0.329% *  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 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 = 0.928, support = 6.55, residual support = 144.0:
    * O T HA    PRO   58 - HD2   PRO   58   3.85 +/- 0.09  39.598% * 97.5504% (0.95  10.0 10.00   6.69 147.97) =  97.307%  kept
          HA    ILE   56 - HD2   PRO   58   3.62 +/- 1.50  55.455% *  1.9230% (0.26   1.0  1.00   1.42   0.02) =   2.686%  kept
          HA    THR   46 - HD2   PRO   58  10.81 +/- 2.01   2.125% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - HD2   PRO   58  19.35 +/- 2.77   0.501% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HD2   PRO   58  14.97 +/- 2.42   0.963% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  23.42 +/- 2.85   0.199% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  19.72 +/- 3.57   0.343% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  27.29 +/- 4.09   0.173% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  25.86 +/- 3.99   0.203% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  24.56 +/- 3.62   0.213% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.38 +/- 2.45   0.227% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.91, residual support = 148.0:
    * O T HB2   PRO   58 - HD2   PRO   58   3.82 +/- 0.25  85.965% * 99.3830% (0.95  10.0 10.00   6.91 147.97) =  99.991%  kept
          HB2   GLN  116 - HD2   PRO   58   9.42 +/- 1.36   7.037% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   GLU- 100 - HD2   PRO   58  27.11 +/- 2.73   0.294% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HD2   PRO   58  17.03 +/- 2.49   1.715% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HD2   PRO   58  11.03 +/- 1.56   4.335% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  26.75 +/- 5.93   0.654% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.97, residual support = 144.5:
    * O T HB3   PRO   58 - HD2   PRO   58   3.91 +/- 0.26  52.623% * 92.6894% (0.79  10.0 10.00   7.11 147.97) =  97.676%  kept
          HB    ILE   56 - HD2   PRO   58   5.49 +/- 1.12  23.690% *  4.8389% (0.79   1.0  1.00   1.04   0.02) =   2.296%  kept
        T HB3   GLN   30 - HD2   PRO   58  21.65 +/- 3.20   0.456% *  1.1097% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   LYS+  38 - HD2   PRO   58  24.91 +/- 3.16   0.311% *  1.0497% (0.89   1.0 10.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HD2   PRO   58   6.44 +/- 1.26  17.181% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.006%
          HB2   MET   92 - HD2   PRO   58  13.86 +/- 2.25   1.686% *  0.1071% (0.91   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HD2   PRO   58  15.35 +/- 2.05   1.215% *  0.0456% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   58  17.42 +/- 2.73   1.206% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  20.92 +/- 3.49   0.472% *  0.0416% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  18.62 +/- 2.14   0.545% *  0.0343% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  22.78 +/- 3.21   0.391% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  31.91 +/- 6.72   0.223% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.22 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.6, residual support = 147.9:
    * O T HG2   PRO   58 - HD2   PRO   58   2.70 +/- 0.29  93.792% * 98.7160% (0.95  10.0 10.00   6.61 147.97) =  99.984%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.90 +/- 1.47   1.379% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HB2   PRO   93 - HD2   PRO   58   9.67 +/- 2.52   3.297% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HD2   PRO   58  18.28 +/- 2.40   0.392% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  25.68 +/- 3.23   0.132% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  31.44 +/- 6.21   0.110% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  21.69 +/- 5.35   0.683% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  23.47 +/- 3.79   0.215% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.54 +/- 0.21  96.330% * 99.2784% (1.00  10.0 10.00   6.26 147.97) =  99.988%  kept
        T HB2   GLN  116 - HA    PRO   58  10.49 +/- 1.59   1.867% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.011%
          HB3   PHE   97 - HA    PRO   58  16.76 +/- 2.70   0.579% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  13.55 +/- 1.38   0.780% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  25.44 +/- 5.72   0.329% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.05 +/- 3.30   0.115% *  0.0445% (0.45   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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.23, residual support = 147.9:
    * O T HB3   PRO   58 - HA    PRO   58   2.50 +/- 0.21  88.060% * 98.4544% (0.84  10.0 10.00   6.23 147.97) =  99.963%  kept
        T HB    ILE   56 - HA    PRO   58   7.88 +/- 0.45   2.984% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.034%
          HG2   ARG+  54 - HA    PRO   58   8.19 +/- 1.90   5.994% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    PRO   58  15.20 +/- 2.22   0.528% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    PRO   58  19.68 +/- 3.62   0.328% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  16.00 +/- 2.20   0.581% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  22.86 +/- 3.31   0.227% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.77 +/- 3.54   0.336% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  20.77 +/- 3.34   0.205% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  17.53 +/- 2.87   0.420% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  19.88 +/- 1.65   0.200% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  29.50 +/- 6.10   0.136% *  0.0206% (0.18   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 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  83.359% * 98.7160% (1.00  10.0 10.00   5.98 147.97) =  99.973%  kept
        T HG3   PRO   52 - HA    PRO   58  14.53 +/- 1.20   1.839% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.022%
          HB2   PRO   93 - HA    PRO   58  10.42 +/- 1.88   6.092% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   24 - HA    PRO   58  20.64 +/- 5.23   4.926% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  15.71 +/- 2.55   1.838% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    PRO   58  23.26 +/- 3.11   0.610% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    PRO   58  29.08 +/- 5.60   0.404% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  21.75 +/- 4.14   0.932% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.9:
    * O T HD2   PRO   58 - HA    PRO   58   3.85 +/- 0.09  87.198% * 98.5403% (0.95  10.0 10.00   6.69 147.97) =  99.986%  kept
        T HA    GLU- 100 - HA    PRO   58  24.90 +/- 3.18   0.376% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HB2   CYS   53 - HA    PRO   58   9.60 +/- 2.18  10.624% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HA    PRO   58  21.84 +/- 3.57   1.302% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   83 - HA    PRO   58  22.41 +/- 2.39   0.500% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 147.9:
    * O T HA    PRO   58 - HB2   PRO   58   2.54 +/- 0.21  87.709% * 99.1379% (1.00  10.0 10.00   6.26 147.97) =  99.965%  kept
          HA    ILE   56 - HB2   PRO   58   6.16 +/- 1.48   8.729% *  0.3269% (0.28   1.0  1.00   0.24   0.02) =   0.033%
          HA    THR   46 - HB2   PRO   58  13.00 +/- 2.00   0.793% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   PRO   58  18.76 +/- 2.70   0.431% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  13.02 +/- 2.43   1.100% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  18.49 +/- 3.81   0.345% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  22.16 +/- 2.51   0.167% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  24.67 +/- 4.34   0.274% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  25.87 +/- 3.79   0.107% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  23.70 +/- 4.06   0.173% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.35 +/- 3.23   0.172% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.52, residual support = 148.0:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  96.404% * 98.9371% (0.84  10.0 10.00   4.52 147.97) =  99.998%  kept
          HB    ILE   56 - HB2   PRO   58   8.07 +/- 0.92   1.115% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PRO   58   8.74 +/- 2.22   1.620% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  22.11 +/- 3.34   0.063% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.19 +/- 1.97   0.148% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  21.15 +/- 3.77   0.090% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.59 +/- 2.32   0.165% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  23.94 +/- 3.47   0.062% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  21.89 +/- 3.85   0.096% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  18.00 +/- 3.19   0.134% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  21.09 +/- 1.62   0.059% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  30.37 +/- 6.59   0.043% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 148.0:
    * O T HG2   PRO   58 - HB2   PRO   58   2.62 +/- 0.32  95.687% * 98.7160% (1.00  10.0 10.00   4.27 147.97) =  99.992%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.79 +/- 1.15   0.675% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.007%
          HB2   PRO   93 - HB2   PRO   58  11.64 +/- 2.04   1.484% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  16.53 +/- 2.65   0.563% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  24.30 +/- 3.25   0.193% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  29.94 +/- 6.08   0.153% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  22.05 +/- 5.65   0.938% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  22.86 +/- 4.43   0.306% *  0.0195% (0.20   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 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.91, residual support = 148.0:
    * O T HD2   PRO   58 - HB2   PRO   58   3.82 +/- 0.25  92.109% * 98.5403% (0.95  10.0 10.00   6.91 147.97) =  99.989%  kept
        T HA    GLU- 100 - HB2   PRO   58  25.96 +/- 3.22   0.358% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HB2   PRO   58  22.98 +/- 3.68   1.143% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.004%
          HB2   CYS   53 - HB2   PRO   58  10.67 +/- 1.92   5.947% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  23.78 +/- 2.24   0.443% *  0.1021% (0.98   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 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.829, support = 6.18, residual support = 146.5:
    * O T HA    PRO   58 - HB3   PRO   58   2.50 +/- 0.21  87.015% * 89.8245% (0.84  10.0 10.00   6.23 147.97) =  98.981%  kept
        T HA    ILE   56 - HB3   PRO   58   6.20 +/- 1.45   8.277% *  9.6906% (0.23   1.0 10.00   0.78   0.02) =   1.016%  kept
          HA    LEU   40 - HB3   PRO   58  18.76 +/- 3.07   1.184% *  0.0867% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  13.11 +/- 1.95   0.747% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   PRO   58  13.22 +/- 2.50   1.187% *  0.0337% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   PRO   58  24.62 +/- 4.66   0.619% *  0.0473% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  22.29 +/- 2.27   0.173% *  0.0896% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  18.61 +/- 3.56   0.328% *  0.0473% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  25.98 +/- 3.89   0.132% *  0.0896% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  23.71 +/- 4.32   0.200% *  0.0224% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.46 +/- 2.77   0.136% *  0.0139% (0.13   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 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.52, residual support = 148.0:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  98.416% * 99.1367% (0.84  10.0 10.00   4.52 147.97) =  99.998%  kept
        T HB3   PHE   97 - HB3   PRO   58  17.67 +/- 2.61   0.125% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HB3   PRO   58   9.62 +/- 2.17   1.105% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HB3   PRO   58  26.67 +/- 6.69   0.116% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.09 +/- 1.23   0.208% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.17 +/- 3.03   0.029% *  0.0444% (0.37   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 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 = 4.24, residual support = 148.0:
    * O T HG2   PRO   58 - HB3   PRO   58   2.63 +/- 0.33  94.677% * 97.0168% (0.84  10.0 10.00   4.24 147.97) =  99.990%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.90 +/- 1.11   0.604% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   GLU-  14 - HB3   PRO   58  24.44 +/- 3.30   0.151% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HB3   PRO   58  30.08 +/- 6.11   0.119% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HB3   PRO   58  11.74 +/- 2.01   1.365% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  22.03 +/- 6.01   2.298% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  16.70 +/- 2.89   0.512% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  22.83 +/- 4.63   0.275% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.23 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.11, residual support = 147.9:
    * O T HD2   PRO   58 - HB3   PRO   58   3.91 +/- 0.26  90.582% * 98.5403% (0.79  10.0 10.00   7.11 147.97) =  99.988%  kept
        T HA    LYS+  38 - HB3   PRO   58  22.95 +/- 3.99   1.411% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU- 100 - HB3   PRO   58  26.07 +/- 2.89   0.344% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.004%
          HB2   CYS   53 - HB3   PRO   58  10.73 +/- 2.10   7.225% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   83 - HB3   PRO   58  24.01 +/- 2.24   0.438% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 5.95, residual support = 147.3:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.02  39.107% * 97.9061% (1.00  10.0 10.00   5.98 147.97) =  99.574%  kept
          HA    ILE   56 - HG2   PRO   58   4.32 +/- 2.08  46.434% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.390%  kept
        T HA    PRO   58 - HG3   PRO   52  14.53 +/- 1.20   0.922% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.019%
          HA    THR   46 - HG3   PRO   52  10.16 +/- 2.11   3.944% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU   40 - HG2   PRO   58  18.96 +/- 2.97   1.486% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HA    THR   46 - HG2   PRO   58  12.63 +/- 1.85   1.260% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HG2   PRO   58  13.29 +/- 2.33   1.814% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG3   PRO   52  11.02 +/- 0.76   1.856% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HG2   PRO   58  25.37 +/- 4.33   0.552% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  23.12 +/- 2.30   0.272% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  26.93 +/- 4.22   0.253% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  19.49 +/- 3.27   0.458% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   52  26.06 +/- 3.24   0.195% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  31.65 +/- 4.84   0.136% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  24.24 +/- 3.85   0.286% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.85 +/- 2.84   0.208% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  35.60 +/- 4.07   0.077% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  28.47 +/- 5.22   0.128% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.07 +/- 4.07   0.090% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.24 +/- 2.49   0.249% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  27.00 +/- 3.93   0.175% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.05 +/- 3.58   0.097% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.764, support = 4.73, residual support = 168.3:
    * O T HB2   PRO   58 - HG2   PRO   58   2.62 +/- 0.32  24.761% * 87.8577% (1.00  10.0 10.00   4.27 147.97) =  72.999%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  73.301% * 10.9746% (0.12  10.0 10.00   5.97 223.17) =  26.994%  kept
        T HB2   PRO   58 - HG3   PRO   52  14.79 +/- 1.15   0.131% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HG2   PRO   58   8.16 +/- 1.61   1.103% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   52 - HG2   PRO   58  12.80 +/- 1.51   0.210% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG3   PRO   52  16.38 +/- 2.85   0.181% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  16.92 +/- 2.75   0.105% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  21.15 +/- 4.13   0.079% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  27.10 +/- 6.57   0.066% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.98 +/- 2.78   0.022% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.33 +/- 4.26   0.017% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  31.10 +/- 4.95   0.023% *  0.0198% (0.23   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 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.24, residual support = 147.9:
    * O T HB3   PRO   58 - HG2   PRO   58   2.63 +/- 0.33  69.079% * 96.9979% (0.84  10.0 10.00   4.24 147.97) =  99.954%  kept
        T QB    LYS+  81 - HG3   PRO   52  18.16 +/- 5.42   2.666% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.014%
          HB    ILE   56 - HG2   PRO   58   6.34 +/- 1.54   7.180% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.010%
          HB2   MET   92 - HG3   PRO   52  10.98 +/- 3.67   4.066% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   PRO   58 - HG3   PRO   52  14.90 +/- 1.11   0.438% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.005%
          HB    ILE   56 - HG3   PRO   52  10.33 +/- 1.58   2.227% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HG3   PRO   52  12.56 +/- 4.80   4.961% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HG2   PRO   58  22.27 +/- 3.33   0.197% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  15.28 +/- 2.11   0.506% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58   8.40 +/- 1.55   2.885% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HG3   PRO   52  16.36 +/- 4.28   1.029% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.63 +/- 0.95   2.522% *  0.0145% (0.12   1.0  1.00   0.02   1.91) =   0.001%
          HB3   GLN   30 - HG2   PRO   58  21.75 +/- 3.55   0.200% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  31.53 +/- 6.90   0.110% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.62 +/- 2.18   0.469% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  24.43 +/- 3.41   0.128% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  17.16 +/- 2.88   0.382% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  27.75 +/- 2.61   0.082% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.46 +/- 2.03   0.179% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.34 +/- 4.68   0.389% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.55 +/- 3.61   0.162% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.65 +/- 3.68   0.052% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  39.95 +/- 5.82   0.025% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  28.82 +/- 2.34   0.065% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.20 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 = 147.6:
    * O T HD2   PRO   58 - HG2   PRO   58   2.70 +/- 0.29  88.994% * 92.8697% (0.95  10.0 10.00   6.61 147.97) =  99.577%  kept
          HB2   CYS   53 - HG3   PRO   52   6.93 +/- 0.35   5.714% *  5.9453% (0.28   1.0  1.00   4.39  55.60) =   0.409%  kept
        T HD2   PRO   58 - HG3   PRO   52  11.90 +/- 1.47   1.308% *  0.7518% (0.77   1.0 10.00   0.02   0.02) =   0.012%
          HB2   CYS   53 - HG2   PRO   58  10.03 +/- 1.73   2.436% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   52  18.85 +/- 4.55   0.887% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG2   PRO   58  23.57 +/- 2.28   0.169% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.98 +/- 2.46   0.112% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  23.48 +/- 3.58   0.230% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.33 +/- 3.89   0.079% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  30.52 +/- 3.63   0.071% *  0.0221% (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 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 57.8:
    * O T HB2   PHE   59 - HA    PHE   59   2.55 +/- 0.18  92.789% * 99.6348% (1.00  10.0 10.00   3.27  57.85) =  99.994%  kept
          QB    PHE   55 - HA    PHE   59   9.50 +/- 0.78   2.062% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - HA    PHE   59  11.50 +/- 3.34   2.072% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   59  12.91 +/- 1.68   1.031% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HA    PHE   59  11.95 +/- 1.25   1.062% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  12.22 +/- 1.45   0.984% *  0.0524% (0.53   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 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 57.9:
    * O T HB3   PHE   59 - HA    PHE   59   3.03 +/- 0.03  99.449% * 99.9552% (1.00  10.0 10.00   3.95  57.85) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  18.88 +/- 2.51   0.551% *  0.0448% (0.45   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 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 57.9:
    * O T HA    PHE   59 - HB2   PHE   59   2.55 +/- 0.18  95.915% * 99.8386% (1.00  10.0 10.00   3.27  57.85) =  99.998%  kept
          HA    ASP- 113 - HB2   PHE   59   8.47 +/- 1.50   3.292% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   87 - HB2   PHE   59  22.74 +/- 3.47   0.255% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.90 +/- 2.42   0.276% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  21.47 +/- 3.49   0.263% *  0.0154% (0.15   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 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.9:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.900% * 99.9552% (1.00  10.0 10.00   3.44  57.85) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.23 +/- 1.82   0.100% *  0.0448% (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 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 57.8:
    * O T HA    PHE   59 - HB3   PHE   59   3.03 +/- 0.03  92.584% * 99.5886% (1.00  10.0 10.00   3.95  57.85) =  99.979%  kept
          HA    ASP- 113 - HB3   PHE   59   8.99 +/- 1.64   6.186% *  0.3068% (0.57   1.0  1.00   0.11   0.02) =   0.021%
          HA    TRP   87 - HB3   PHE   59  21.61 +/- 3.32   0.398% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.47 +/- 2.39   0.466% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  21.09 +/- 3.22   0.367% *  0.0154% (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 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.9:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  96.611% * 99.6348% (1.00  10.0 10.00   3.44  57.85) =  99.997%  kept
          QB    PHE   55 - HB3   PHE   59   7.63 +/- 0.88   1.390% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HB3   PHE   59  10.75 +/- 1.99   0.606% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - HB3   PHE   59   9.77 +/- 1.06   0.626% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.11 +/- 2.68   0.333% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.19 +/- 1.38   0.433% *  0.0524% (0.53   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 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 = 72.5:
    * O T HB2   PHE   60 - HA    PHE   60   2.70 +/- 0.26  99.452% * 99.9010% (1.00  10.0 10.00   4.00  72.53) =  99.999%  kept
          HB2   TRP   87 - HA    PHE   60  19.74 +/- 4.14   0.548% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.5:
    * O T HB3   PHE   60 - HA    PHE   60   2.66 +/- 0.29  96.684% * 99.7797% (1.00  10.0 10.00   4.00  72.53) =  99.998%  kept
          QE    LYS+ 106 - HA    PHE   60  14.39 +/- 1.87   0.769% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    PHE   60  12.45 +/- 2.41   1.279% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  14.59 +/- 2.45   0.852% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  19.73 +/- 3.59   0.417% *  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 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.5:
    * O T HA    PHE   60 - HB2   PHE   60   2.70 +/- 0.26  79.850% * 99.8400% (1.00  10.0 10.00   4.00  72.53) =  99.994%  kept
          QB    SER   48 - HB2   PHE   60  12.51 +/- 3.76  13.283% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - HB2   PHE   60  11.78 +/- 1.97   2.719% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB2   PHE   60   9.43 +/- 1.84   2.827% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   60  13.55 +/- 1.86   0.847% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.27 +/- 1.45   0.473% *  0.0278% (0.28   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 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 = 72.5:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  98.985% * 99.7797% (1.00  10.0 10.00   4.00  72.53) =  99.999%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.32 +/- 2.25   0.243% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.13 +/- 2.84   0.433% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  14.59 +/- 2.48   0.252% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  20.82 +/- 3.51   0.088% *  0.0249% (0.25   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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.5:
    * O T HA    PHE   60 - HB3   PHE   60   2.66 +/- 0.29  79.484% * 99.8400% (1.00  10.0 10.00   4.00  72.53) =  99.995%  kept
          QB    SER   48 - HB3   PHE   60  12.53 +/- 3.93  15.082% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - HB3   PHE   60  11.38 +/- 1.76   1.703% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   PHE   60   9.43 +/- 1.99   2.393% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  13.44 +/- 1.72   0.813% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  14.98 +/- 1.71   0.525% *  0.0278% (0.28   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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.5:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.827% * 99.9010% (1.00  10.0 10.00   4.00  72.53) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  18.68 +/- 4.10   0.173% *  0.0990% (0.99   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 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  86.539% * 98.4786% (1.00  10.0 10.00   2.21  17.92) =  99.986%  kept
        T QB    ALA  110 - HA    ALA   61  13.22 +/- 2.63   0.554% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          HG    LEU   73 - HA    ALA   61  10.38 +/- 3.12   3.318% *  0.0637% (0.65   1.0  1.00   0.02   0.16) =   0.002%
          QG    LYS+  66 - HA    ALA   61   8.38 +/- 1.17   1.873% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - HA    ALA   61   8.66 +/- 1.29   1.553% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    ALA   61   9.06 +/- 2.35   2.260% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   61  13.70 +/- 3.98   0.718% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    ALA   61  12.02 +/- 2.76   1.675% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  17.19 +/- 3.06   0.225% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  10.90 +/- 1.39   0.744% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  16.73 +/- 2.26   0.213% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.24 +/- 2.34   0.250% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.60 +/- 3.34   0.076% *  0.0518% (0.53   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 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  88.258% * 98.9510% (1.00  10.0 10.00   2.21  17.92) =  99.990%  kept
        T HA    ALA   61 - QB    ALA  110  13.22 +/- 2.63   0.565% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.005%
          HD3   PRO   58 - QB    ALA   61   5.73 +/- 0.94   5.608% *  0.0444% (0.45   1.0  1.00   0.02   0.81) =   0.003%
          HD2   PRO   68 - QB    ALA   61  10.50 +/- 0.93   0.805% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA  110   9.78 +/- 2.82   1.708% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   61   9.46 +/- 1.75   1.527% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  14.15 +/- 2.98   0.877% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.62 +/- 2.41   0.156% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.41 +/- 3.52   0.346% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  20.49 +/- 3.76   0.150% *  0.0163% (0.16   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 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   2.74 +/- 0.27  99.500% * 99.9434% (1.00  10.0 10.00   3.00  40.99) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  16.95 +/- 1.64   0.500% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.84 +/- 0.23  98.441% * 99.7306% (0.98  10.0 10.00   3.00  40.99) =  99.999%  kept
          HG3   MET   96 - HA    ASP-  62  17.37 +/- 2.53   0.735% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HA    ASP-  62  22.31 +/- 3.65   0.277% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  23.44 +/- 3.75   0.240% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  22.63 +/- 4.55   0.308% *  0.0495% (0.49   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 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   2.74 +/- 0.27  87.228% * 99.8236% (1.00  10.0 10.00   3.00  40.99) =  99.992%  kept
          HA    SER  117 - HB2   ASP-  62  12.62 +/- 2.33  12.069% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.008%
          HB    THR   26 - HB2   ASP-  62  20.70 +/- 3.78   0.561% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB2   ASP-  62  24.77 +/- 2.82   0.142% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.659% * 99.7306% (0.98  10.0 10.00   3.00  40.99) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.03 +/- 2.30   0.137% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  23.30 +/- 3.82   0.071% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  23.86 +/- 4.84   0.076% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  23.61 +/- 3.63   0.057% *  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   2.84 +/- 0.23  95.166% * 99.8236% (0.98  10.0 10.00   3.00  40.99) =  99.997%  kept
          HA    SER  117 - HB3   ASP-  62  12.68 +/- 2.06   4.226% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   26 - HB3   ASP-  62  20.38 +/- 3.85   0.424% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  24.57 +/- 2.87   0.184% *  0.0278% (0.27   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 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  99.848% * 99.4370% (0.98  10.0 10.00   3.00  40.99) =  99.999%  kept
        T HB2   PRO   52 - HB3   ASP-  62  15.77 +/- 1.52   0.152% *  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 = 241.7:
    * O T HB2   LEU   63 - HA    LEU   63   2.88 +/- 0.14  82.318% * 99.1997% (1.00  10.0 10.00   6.28 241.73) =  99.983%  kept
          HB3   ASP-  44 - HA    LEU   63   9.48 +/- 2.28   5.197% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   31 - HA    LEU   63  17.16 +/- 4.81   3.613% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.004%
          HB3   PRO   93 - HA    LEU   63  12.22 +/- 2.67   2.450% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    LEU   63  12.94 +/- 2.69   1.305% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   63  19.65 +/- 3.80   0.735% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  16.09 +/- 3.72   0.737% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  18.07 +/- 2.83   0.619% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    LEU   63  17.74 +/- 3.55   0.933% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   63  18.53 +/- 2.67   0.568% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  18.26 +/- 4.86   0.547% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  16.87 +/- 3.42   0.650% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  21.00 +/- 3.41   0.329% *  0.0174% (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 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.7:
    * O T HB3   LEU   63 - HA    LEU   63   2.58 +/- 0.23  69.922% * 99.7424% (1.00  10.0 10.00   5.98 241.73) =  99.977%  kept
          QG1   VAL   70 - HA    LEU   63   5.54 +/- 2.02  19.419% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.016%
          QD1   LEU  123 - HA    LEU   63   8.17 +/- 2.60   6.099% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HA    LEU   63   9.29 +/- 3.81   2.882% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    LEU   63  10.40 +/- 1.31   1.279% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    LEU   63  15.70 +/- 2.13   0.397% *  0.0645% (0.65   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 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.7:
    * O T HG    LEU   63 - HA    LEU   63   3.00 +/- 0.57  88.341% * 99.8120% (1.00  10.0 10.00   5.98 241.73) =  99.991%  kept
          QG2   VAL   24 - HA    LEU   63  15.76 +/- 3.51   6.601% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HG3   LYS+ 112 - HA    LEU   63  14.19 +/- 2.10   1.405% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    LEU   63  10.49 +/- 1.91   3.654% *  0.0154% (0.15   1.0  1.00   0.02   0.13) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.758, support = 5.7, residual support = 241.6:
        T QD2   LEU   63 - HA    LEU   63   2.55 +/- 0.55  65.180% * 35.7505% (0.57 10.00   5.82 241.73) =  55.793%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.65 +/- 0.54  29.213% * 63.1462% (1.00 10.00   5.56 241.73) =  44.168%  kept
        T QD1   LEU   73 - HA    LEU   63  11.01 +/- 1.99   1.819% *  0.6315% (1.00 10.00   0.02   0.13) =   0.028%
        T QD1   LEU  104 - HA    LEU   63  13.87 +/- 3.79   0.915% *  0.3575% (0.57 10.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HA    LEU   63   9.05 +/- 1.36   2.006% *  0.0527% (0.84  1.00   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    LEU   63  16.48 +/- 3.31   0.506% *  0.0506% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   63  17.09 +/- 3.28   0.360% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.912, support = 5.77, residual support = 241.7:
    *   T QD2   LEU   63 - HA    LEU   63   2.55 +/- 0.55  64.585% * 63.5438% (1.00 10.00   5.82 241.73) =  79.749%  kept
        T QD1   LEU   63 - HA    LEU   63   3.65 +/- 0.54  28.947% * 35.9756% (0.57 10.00   5.56 241.73) =  20.237%  kept
        T QD1   LEU   73 - HA    LEU   63  11.01 +/- 1.99   1.802% *  0.3598% (0.57 10.00   0.02   0.13) =   0.013%
          QG2   VAL   41 - HA    LEU   63  11.19 +/- 2.02   1.133% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    LEU   63   9.05 +/- 1.36   1.988% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  13.47 +/- 3.10   0.689% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  17.04 +/- 3.44   0.354% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  16.48 +/- 3.31   0.502% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 241.7:
    * O T HA    LEU   63 - HB2   LEU   63   2.88 +/- 0.14  98.310% * 99.2046% (1.00  10.0 10.00   6.28 241.73) =  99.989%  kept
        T HB2   HIS   22 - HB2   LEU   63  18.39 +/- 3.41   1.359% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.011%
          HA2   GLY  101 - HB2   LEU   63  20.98 +/- 4.00   0.331% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 241.7:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  80.835% * 99.7424% (1.00  10.0 10.00   6.31 241.73) =  99.987%  kept
          QG1   VAL   70 - HB2   LEU   63   5.80 +/- 2.11  15.756% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.011%
          QG1   VAL   18 - HB2   LEU   63   8.93 +/- 3.60   1.271% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63   8.33 +/- 2.30   1.532% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU   63  10.44 +/- 1.20   0.420% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  14.04 +/- 1.85   0.185% *  0.0645% (0.65   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 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.7:
    * O T HG    LEU   63 - HB2   LEU   63   2.59 +/- 0.25  94.436% * 99.8120% (1.00  10.0 10.00   6.31 241.73) =  99.997%  kept
          QG2   VAL   24 - HB2   LEU   63  14.79 +/- 3.23   1.295% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HB2   LEU   63  12.90 +/- 2.22   1.541% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63   9.16 +/- 1.65   2.728% *  0.0154% (0.15   1.0  1.00   0.02   0.13) =   0.000%
    Distance limit 3.11 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 = 0.895, support = 6.08, residual support = 240.2:
    * O T QD1   LEU   63 - HB2   LEU   63   2.37 +/- 0.31  59.387% * 57.8023% (1.00  10.0 10.00   6.07 241.73) =  75.213%  kept
      O T QD2   LEU   63 - HB2   LEU   63   2.99 +/- 0.31  33.660% * 32.7250% (0.57  10.0 10.00   6.28 241.73) =  24.135%  kept
        T QD1   LEU   73 - HB2   LEU   63   9.97 +/- 2.33   3.240% *  9.0408% (1.00   1.0 10.00   0.31   0.13) =   0.642%  kept
        T QD1   LEU  104 - HB2   LEU   63  13.20 +/- 3.49   0.976% *  0.3273% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU  115 - HB2   LEU   63   7.93 +/- 1.16   1.879% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   LEU   63  15.51 +/- 2.88   0.583% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU   63  15.96 +/- 2.68   0.276% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.782, support = 6.15, residual support = 240.7:
    * O T QD2   LEU   63 - HB2   LEU   63   2.99 +/- 0.31  33.352% * 60.3644% (1.00  10.0 10.00   6.28 241.73) =  49.814%  kept
      O T QD1   LEU   63 - HB2   LEU   63   2.37 +/- 0.31  58.846% * 34.1755% (0.57  10.0 10.00   6.07 241.73) =  49.759%  kept
        T QD1   LEU   73 - HB2   LEU   63   9.97 +/- 2.33   3.211% *  5.3453% (0.57   1.0 10.00   0.31   0.13) =   0.425%  kept
          QG2   VAL   41 - HB2   LEU   63  10.39 +/- 1.44   1.003% *  0.0366% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   LEU   63   7.93 +/- 1.16   1.862% *  0.0151% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  12.49 +/- 2.71   0.614% *  0.0248% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.01 +/- 3.30   0.535% *  0.0248% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.51 +/- 2.88   0.577% *  0.0134% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.7:
    * O T HA    LEU   63 - HB3   LEU   63   2.58 +/- 0.23  99.058% * 99.8862% (1.00  10.0 10.00   5.98 241.73) =  99.999%  kept
          HB2   HIS   22 - HB3   LEU   63  18.43 +/- 2.92   0.647% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  20.45 +/- 4.48   0.295% *  0.0375% (0.38   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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.7:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  92.545% * 99.1997% (1.00  10.0 10.00   6.31 241.73) =  99.993%  kept
          HB3   ASP-  44 - HB3   LEU   63   8.15 +/- 2.40   3.522% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   31 - HB3   LEU   63  15.94 +/- 4.32   1.418% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.001%
          HB3   PRO   93 - HB3   LEU   63  11.25 +/- 2.59   0.748% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LEU   63  13.10 +/- 2.54   0.298% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  14.59 +/- 3.75   0.281% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.53 +/- 3.72   0.167% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.38 +/- 2.74   0.151% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  17.60 +/- 2.74   0.164% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  17.17 +/- 4.77   0.165% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  16.79 +/- 3.26   0.187% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  15.28 +/- 3.67   0.264% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  20.00 +/- 3.25   0.090% *  0.0174% (0.18   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 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 = 241.7:
    * O T HG    LEU   63 - HB3   LEU   63   2.86 +/- 0.25  93.111% * 99.8120% (1.00  10.0 10.00   6.00 241.73) =  99.997%  kept
          QG2   VAL   24 - HB3   LEU   63  14.78 +/- 3.13   1.380% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HB3   LEU   63  13.90 +/- 2.06   1.050% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB3   LEU   63   9.57 +/- 1.97   4.459% *  0.0154% (0.15   1.0  1.00   0.02   0.13) =   0.001%
    Distance limit 3.07 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 = 0.853, support = 5.77, residual support = 238.1:
    * O T QD1   LEU   63 - HB3   LEU   63   2.45 +/- 0.23  48.784% * 52.1394% (1.00  10.0 10.00   5.78 241.73) =  64.592%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.56 +/- 0.40  45.225% * 29.5190% (0.57  10.0 10.00   5.98 241.73) =  33.901%  kept
        T QD1   LEU   73 - HB3   LEU   63   9.92 +/- 2.08   3.290% * 17.9520% (1.00   1.0 10.00   0.69   0.13) =   1.500%  kept
        T QD1   LEU  104 - HB3   LEU   63  12.91 +/- 3.70   0.728% *  0.2952% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HB3   LEU   63   8.76 +/- 1.17   1.235% *  0.0436% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU   63  15.49 +/- 3.24   0.512% *  0.0418% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   63  16.08 +/- 2.99   0.226% *  0.0091% (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 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 5.86, residual support = 239.6:
    * O T QD2   LEU   63 - HB3   LEU   63   2.56 +/- 0.40  44.746% * 56.7220% (1.00  10.0 10.00   5.98 241.73) =  61.541%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.45 +/- 0.23  48.268% * 32.1134% (0.57  10.0 10.00   5.78 241.73) =  37.584%  kept
        T QD1   LEU   73 - HB3   LEU   63   9.92 +/- 2.08   3.255% * 11.0569% (0.57   1.0 10.00   0.69   0.13) =   0.873%  kept
          QG2   VAL   41 - HB3   LEU   63   9.93 +/- 1.78   0.905% *  0.0344% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   63   8.76 +/- 1.17   1.222% *  0.0141% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  12.17 +/- 3.13   0.633% *  0.0233% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.05 +/- 3.57   0.464% *  0.0233% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.49 +/- 3.24   0.507% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 241.7:
    * O T HA    LEU   63 - HG    LEU   63   3.00 +/- 0.57  95.957% * 99.8862% (1.00  10.0 10.00   5.98 241.73) =  99.997%  kept
          HB2   HIS   22 - HG    LEU   63  19.11 +/- 4.10   3.537% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  101 - HG    LEU   63  20.90 +/- 4.01   0.506% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 241.7:
    * O T HB2   LEU   63 - HG    LEU   63   2.59 +/- 0.25  75.576% * 99.1997% (1.00  10.0 10.00   6.31 241.73) =  99.974%  kept
          HB2   LEU   31 - HG    LEU   63  16.53 +/- 5.18   8.887% *  0.0890% (0.90   1.0  1.00   0.02   0.27) =   0.011%
          HB3   ASP-  44 - HG    LEU   63   8.55 +/- 2.52   4.824% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HG    LEU   63  11.09 +/- 3.52   6.451% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA  124 - HG    LEU   63  12.70 +/- 2.59   0.923% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  15.00 +/- 3.27   0.568% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG    LEU   63  16.81 +/- 3.14   0.479% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HG    LEU   63  19.22 +/- 3.70   0.301% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  17.97 +/- 3.09   0.345% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  17.39 +/- 4.28   0.394% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  17.57 +/- 3.56   0.464% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  15.29 +/- 3.20   0.536% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  20.16 +/- 3.92   0.253% *  0.0174% (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 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 241.6:
    * O T HB3   LEU   63 - HG    LEU   63   2.86 +/- 0.25  61.276% * 99.7424% (1.00  10.0 10.00   6.00 241.73) =  99.967%  kept
          QG1   VAL   70 - HG    LEU   63   5.73 +/- 2.23  23.276% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.021%
          QD1   LEU  123 - HG    LEU   63   8.07 +/- 2.84   9.557% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HG    LEU   63   9.26 +/- 3.35   3.738% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  108 - HG    LEU   63  14.38 +/- 2.63   0.778% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU   63  10.64 +/- 1.39   1.375% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.842, support = 5.63, residual support = 241.7:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.191% * 63.0834% (1.00  10.0 10.00   5.54 241.73) =  63.660%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.566% * 35.7149% (0.57  10.0 10.00   5.79 241.73) =  36.322%  kept
        T QD1   LEU   73 - HG    LEU   63  10.78 +/- 2.57   0.829% *  0.6308% (1.00   1.0 10.00   0.02   0.13) =   0.011%
        T QD1   LEU  104 - HG    LEU   63  12.91 +/- 3.48   0.760% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HG    LEU   63   8.08 +/- 1.70   1.254% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   83 - HG    LEU   63  16.61 +/- 3.21   0.154% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.19 +/- 3.17   0.245% *  0.0505% (0.80   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 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 5.7, residual support = 241.7:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.01  48.414% * 63.5438% (1.00  10.0 10.00   5.79 241.73) =  64.025%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  48.040% * 35.9756% (0.57  10.0 10.00   5.54 241.73) =  35.968%  kept
        T QD1   LEU   73 - HG    LEU   63  10.78 +/- 2.57   0.826% *  0.3598% (0.57   1.0 10.00   0.02   0.13) =   0.006%
          QG2   VAL   41 - HG    LEU   63  10.55 +/- 2.24   0.634% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HG    LEU   63   8.08 +/- 1.70   1.250% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.61 +/- 2.87   0.340% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.68 +/- 3.38   0.251% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.19 +/- 3.17   0.244% *  0.0141% (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 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.54, residual support = 240.6:
    *   T HA    LEU   63 - QD1   LEU   63   3.65 +/- 0.54  67.746% * 94.3252% (1.00 10.00   5.56 241.73) =  99.516%  kept
          HB2   HIS   22 - QD1   LEU   73   9.13 +/- 1.91   5.897% *  4.3315% (0.76  1.00   1.20   0.02) =   0.398%  kept
        T HA    LEU   63 - QD1   LEU   73  11.01 +/- 1.99   4.787% *  0.9433% (1.00 10.00   0.02   0.13) =   0.070%
        T HA    LEU   63 - QD1   LEU  104  13.87 +/- 3.79   2.859% *  0.2309% (0.24 10.00   0.02   0.02) =   0.010%
          HB2   HIS   22 - QD1   LEU   63  16.00 +/- 3.17   1.443% *  0.0721% (0.76  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU  104   8.01 +/- 1.38  11.311% *  0.0087% (0.09  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   73  14.68 +/- 4.12   1.785% *  0.0354% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU  104  20.38 +/- 6.28   3.062% *  0.0176% (0.19  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   63  16.64 +/- 3.44   1.110% *  0.0354% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 5.94, residual support = 235.5:
    * O T HB2   LEU   63 - QD1   LEU   63   2.37 +/- 0.31  38.240% * 74.5782% (1.00  10.0 10.00   6.07 241.73) =  97.395%  kept
        T HB2   LEU   63 - QD1   LEU   73   9.97 +/- 2.33   2.523% * 11.6647% (1.00   1.0 10.00   0.31   0.13) =   1.005%  kept
          HB2   LEU   31 - QD1   LEU   63  13.28 +/- 4.49   6.364% *  3.5624% (0.90   1.0  1.00   1.07   0.27) =   0.774%  kept
          HB2   LEU   31 - QD1   LEU   73   7.48 +/- 3.03   2.128% *  6.3761% (0.90   1.0  1.00   1.91   1.60) =   0.463%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.82 +/- 1.53   7.728% *  0.9527% (0.14   1.0  1.00   1.84  18.85) =   0.251%  kept
          HB3   ASP-  44 - QD1   LEU   63   6.58 +/- 2.59  10.656% *  0.0731% (0.98   1.0  1.00   0.02   0.02) =   0.027%
        T HB3   LEU   80 - QD1   LEU   73  12.26 +/- 3.62   0.889% *  0.7310% (0.98   1.0 10.00   0.02   0.02) =   0.022%
          HB3   ASP-  44 - QD1   LEU   73   8.29 +/- 2.59   7.786% *  0.0731% (0.98   1.0  1.00   0.02   4.82) =   0.019%
        T HB3   LEU   80 - QD1   LEU   63  15.80 +/- 3.56   0.470% *  0.7310% (0.98   1.0 10.00   0.02   0.02) =   0.012%
          HB3   PRO   93 - QD1   LEU   63   8.80 +/- 3.01   4.513% *  0.0482% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PRO   93 - QD1   LEU   73  11.60 +/- 3.19   3.291% *  0.0482% (0.65   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   LEU   63 - QD1   LEU  104  13.20 +/- 3.49   0.671% *  0.1826% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  124 - QD1   LEU   63  10.47 +/- 2.24   0.759% *  0.0669% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU   73  10.44 +/- 3.14   0.752% *  0.0597% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU  104   6.62 +/- 1.09   2.737% *  0.0146% (0.20   1.0  1.00   0.02   9.41) =   0.001%
          HG    LEU   98 - QD1   LEU   63  11.77 +/- 3.01   0.520% *  0.0597% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   63  14.70 +/- 3.10   0.543% *  0.0512% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU  104  13.10 +/- 5.33   1.669% *  0.0164% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   73  16.42 +/- 2.87   0.296% *  0.0669% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  13.44 +/- 2.72   0.310% *  0.0623% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  12.66 +/- 2.19   0.372% *  0.0512% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   80 - QD1   LEU  104  19.34 +/- 3.42   0.104% *  0.1789% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD1   LEU   73  13.03 +/- 2.53   0.413% *  0.0334% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  13.87 +/- 3.51   0.295% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  13.93 +/- 3.59   0.294% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  13.41 +/- 2.75   0.636% *  0.0179% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  14.32 +/- 2.65   0.328% *  0.0334% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  13.15 +/- 4.06   0.494% *  0.0164% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.47 +/- 3.74   0.118% *  0.0623% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  11.72 +/- 3.15   0.606% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.07 +/- 3.57   0.320% *  0.0152% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.20 +/- 2.20   0.348% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.80 +/- 0.84   1.318% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.56 +/- 3.59   0.315% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  16.37 +/- 3.49   0.267% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  12.01 +/- 2.94   0.423% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  15.51 +/- 2.51   0.177% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.42 +/- 3.25   0.178% *  0.0125% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  18.10 +/- 4.02   0.150% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 5.63, residual support = 234.5:
    * O T HB3   LEU   63 - QD1   LEU   63   2.45 +/- 0.23  50.226% * 71.3986% (1.00  10.0 10.00   5.78 241.73) =  96.988%  kept
        T HB3   LEU   63 - QD1   LEU   73   9.92 +/- 2.08   3.866% * 24.5830% (1.00   1.0 10.00   0.69   0.13) =   2.570%  kept
          QG1   VAL   18 - QD1   LEU   73   7.24 +/- 3.68   4.267% *  3.4787% (0.69   1.0  1.00   1.42   0.21) =   0.401%  kept
          QG1   VAL   70 - QD1   LEU   63   4.85 +/- 1.94  17.248% *  0.0404% (0.57   1.0  1.00   0.02   0.02) =   0.019%
          QD1   LEU  123 - QD1   LEU   63   6.83 +/- 2.41   9.015% *  0.0244% (0.34   1.0  1.00   0.02   0.02) =   0.006%
        T HB3   LEU   63 - QD1   LEU  104  12.91 +/- 3.70   0.934% *  0.1748% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - QD1   LEU   63   7.84 +/- 2.31   2.678% *  0.0490% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QD1   LEU   73   9.00 +/- 1.49   1.732% *  0.0404% (0.57   1.0  1.00   0.02   0.82) =   0.002%
          QD1   LEU   71 - QD1   LEU   73   8.44 +/- 1.00   2.279% *  0.0244% (0.34   1.0  1.00   0.02   1.19) =   0.002%
          QG1   VAL  108 - QD1   LEU   63  11.25 +/- 2.34   0.768% *  0.0462% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.03 +/- 1.20   1.205% *  0.0244% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   9.75 +/- 3.54   1.839% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  13.87 +/- 2.20   0.354% *  0.0462% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.24 +/- 2.86   0.640% *  0.0244% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.66 +/- 3.12   0.642% *  0.0120% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  11.84 +/- 1.49   0.607% *  0.0113% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  12.47 +/- 4.83   0.985% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104  11.79 +/- 3.43   0.715% *  0.0060% (0.08   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 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 5.49, residual support = 238.7:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  66.848% * 88.2549% (1.00  10.0 10.00   5.54 241.73) =  98.730%  kept
          QG2   VAL   24 - QD1   LEU   73   5.60 +/- 2.64   8.316% *  5.9585% (0.97   1.0  1.00   1.40   2.80) =   0.829%  kept
        T QG1   VAL  107 - QD1   LEU   63   6.85 +/- 2.27   5.716% *  4.2611% (0.15   1.0 10.00   0.63   0.13) =   0.408%  kept
        T HG    LEU   63 - QD1   LEU   73  10.78 +/- 2.57   1.145% *  0.8825% (1.00   1.0 10.00   0.02   0.13) =   0.017%
        T HG    LEU   63 - QD1   LEU  104  12.91 +/- 3.48   1.033% *  0.2160% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   VAL  107 - QD1   LEU   73  11.33 +/- 3.14   1.559% *  0.1362% (0.15   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   24 - QD1   LEU  104  13.65 +/- 5.33   9.399% *  0.0208% (0.24   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   24 - QD1   LEU   63  12.41 +/- 3.15   1.588% *  0.0852% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL  107 - QD1   LEU  104   8.16 +/- 1.45   2.750% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QD1   LEU   63  10.57 +/- 2.16   1.083% *  0.0674% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  17.03 +/- 4.06   0.257% *  0.0674% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.67 +/- 3.34   0.305% *  0.0165% (0.19   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 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 241.7:
    *   T HA    LEU   63 - QD2   LEU   63   2.55 +/- 0.55  96.120% * 99.5813% (1.00 10.00   5.82 241.73) =  99.987%  kept
          HB2   HIS   22 - QD2   LEU   63  16.22 +/- 3.42   3.165% *  0.3813% (0.76  1.00   0.10   0.02) =   0.013%
          HA2   GLY  101 - QD2   LEU   63  16.79 +/- 3.95   0.716% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.12 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 6.27, residual support = 241.4:
    * O T HB2   LEU   63 - QD2   LEU   63   2.99 +/- 0.31  58.066% * 97.9200% (1.00  10.0 10.00   6.28 241.73) =  99.861%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.55 +/- 2.09   8.352% *  0.5222% (0.98   1.0  1.00   0.11   0.02) =   0.077%
        T HB3   LEU   80 - QD2   LEU   63  16.07 +/- 3.38   1.283% *  0.9598% (0.98   1.0 10.00   0.02   0.02) =   0.022%
          HB2   LEU   31 - QD2   LEU   63  13.66 +/- 4.30  12.551% *  0.0878% (0.90   1.0  1.00   0.02   0.27) =   0.019%
          HB3   PRO   93 - QD2   LEU   63   9.82 +/- 2.78   7.262% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          QB    ALA  124 - QD2   LEU   63  10.70 +/- 2.78   2.587% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QD2   LEU   63  11.97 +/- 3.36   2.526% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - QD2   LEU   63  13.80 +/- 4.00   1.436% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   63  15.14 +/- 2.92   1.062% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  13.99 +/- 2.82   1.530% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD2   LEU   63  14.44 +/- 2.41   0.804% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  12.53 +/- 3.16   1.960% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   63  17.07 +/- 3.36   0.582% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.98, residual support = 241.6:
    * O T HB3   LEU   63 - QD2   LEU   63   2.56 +/- 0.40  50.236% * 99.7424% (1.00  10.0 10.00   5.98 241.73) =  99.950%  kept
          QG1   VAL   70 - QD2   LEU   63   4.14 +/- 1.78  28.934% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.033%
          QD1   LEU  123 - QD2   LEU   63   6.94 +/- 3.02  13.650% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   18 - QD2   LEU   63   7.87 +/- 2.71   4.865% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - QD2   LEU   63   8.55 +/- 1.17   1.662% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD2   LEU   63  12.18 +/- 2.16   0.655% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 5.79, residual support = 241.4:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.01  92.024% * 97.8022% (1.00  10.0 10.00   5.79 241.73) =  99.882%  kept
        T QG1   VAL  107 - QD2   LEU   63   7.70 +/- 2.13   5.110% *  2.0287% (0.15   1.0 10.00   0.27   0.13) =   0.115%  kept
          QG2   VAL   24 - QD2   LEU   63  12.98 +/- 3.02   1.833% *  0.0944% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QD2   LEU   63  11.57 +/- 2.10   1.033% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.69 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  99.445% * 99.9825% (1.00  10.0 10.00   2.00  20.66) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  13.53 +/- 2.23   0.555% *  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 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.938, support = 2.13, residual support = 23.3:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  76.965% * 72.6945% (1.00  10.0 10.00   2.00  20.66) =  90.084%  kept
        T HB2   PHE   72 - QB    ALA   64   4.62 +/- 1.42  22.572% * 27.2831% (0.38   1.0 10.00   3.33  47.83) =   9.915%  kept
          HB3   ASN   35 - QB    ALA   64  13.98 +/- 2.68   0.463% *  0.0224% (0.31   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 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 = 0.916, support = 6.56, residual support = 157.9:
    * O T QB    LYS+  65 - HA    LYS+  65   2.35 +/- 0.14  79.028% * 85.9042% (0.92  10.0 10.00   6.58 160.32) =  98.154%  kept
          QB    LYS+  66 - HA    LYS+  65   4.92 +/- 0.40   9.337% * 13.6067% (0.52   1.0  1.00   5.60  31.47) =   1.837%  kept
          HB2   LEU   71 - HA    LYS+  65  11.71 +/- 2.98   3.249% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   93 - HA    LYS+  65  15.08 +/- 3.43   1.867% *  0.0718% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HA    LYS+  65  12.18 +/- 5.80   2.500% *  0.0521% (0.56   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - HA    LYS+ 121  15.80 +/- 2.58   0.740% *  0.0969% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LYS+  65  14.52 +/- 2.43   0.449% *  0.0322% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  21.31 +/- 3.15   0.133% *  0.0842% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  17.99 +/- 6.71   0.629% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  17.19 +/- 4.50   0.393% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  19.73 +/- 2.80   0.155% *  0.0214% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  15.10 +/- 3.26   0.448% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.92 +/- 1.66   0.177% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  17.08 +/- 4.83   0.329% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  20.27 +/- 3.23   0.182% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  18.05 +/- 6.09   0.383% *  0.0024% (0.03   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 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.826, support = 5.63, residual support = 160.1:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.14 +/- 0.67  28.466% * 53.0514% (0.92  10.0 10.00   5.39 160.32) =  81.415%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.01 +/- 1.20   4.870% * 38.5232% (0.67   1.0 10.00   5.70  31.47) =  10.113%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.89 +/- 0.62  16.361% *  5.9339% (0.10   1.0 10.00   7.67 312.54) =   5.234%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.62 +/- 0.23  39.868% *  1.4928% (0.03  10.0 10.00   8.22 312.54) =   3.209%  kept
        T HD3   LYS+  74 - HA    LYS+  65   8.50 +/- 3.41   2.751% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.012%
        T HD2   LYS+ 121 - HA    LYS+  65  17.46 +/- 3.11   0.214% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   26 - HA    LYS+  65  13.70 +/- 2.75   1.333% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  74 - HA    LYS+  65   8.85 +/- 2.23   1.525% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LYS+ 121 - HA    LYS+  65  17.48 +/- 2.86   0.237% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  65 - HA    LYS+ 121  18.41 +/- 3.76   0.337% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HA    LYS+ 121  16.13 +/- 3.64   0.313% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    LYS+  65  13.31 +/- 2.19   0.465% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  15.28 +/- 8.09   1.815% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  20.06 +/- 3.50   0.109% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  20.41 +/- 4.87   0.237% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.08 +/- 2.61   0.134% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  13.53 +/- 5.26   0.623% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  22.20 +/- 2.68   0.074% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.83 +/- 2.78   0.088% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.23 +/- 1.73   0.179% *  0.0010% (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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.914, support = 5.39, residual support = 161.8:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.95 +/- 0.56  56.440% * 94.0974% (0.92  10.0 10.00   5.38 160.32) =  98.985%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.37 +/- 0.66  25.144% *  2.1015% (0.02   1.0 10.00   6.68 312.54) =   0.985%  kept
        T HG3   LYS+  33 - HA    LYS+  65  16.73 +/- 3.03   0.470% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 106 - HA    LYS+  65  20.03 +/- 2.70   0.228% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  65  10.64 +/- 1.74   1.835% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    LYS+  65  11.34 +/- 1.59   1.323% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HA    LYS+  65  25.10 +/- 3.66   0.127% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  18.34 +/- 3.62   0.466% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    LYS+  65   9.30 +/- 2.05   4.060% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - HA    LYS+ 121  21.47 +/- 7.55   0.747% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    LYS+ 121  16.81 +/- 5.84   0.831% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    LYS+ 121  18.66 +/- 3.35   0.443% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 121  21.66 +/- 5.15   0.409% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  18.06 +/- 2.52   0.334% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+  65  17.25 +/- 2.78   0.397% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LYS+  65  13.96 +/- 2.53   0.812% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.39 +/- 2.82   0.454% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.95 +/- 4.55   1.225% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  17.65 +/- 2.65   0.356% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.89 +/- 3.08   0.402% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.85 +/- 1.80   0.553% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  16.43 +/- 5.61   0.987% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.71 +/- 3.98   0.439% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  22.23 +/- 3.98   0.225% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  18.55 +/- 6.31   0.682% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.08 +/- 1.57   0.296% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.95 +/- 2.76   0.200% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  25.15 +/- 2.41   0.114% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.808, support = 5.33, residual support = 180.2:
    *   T QD    LYS+  65 - HA    LYS+  65   3.39 +/- 0.57  33.780% * 85.0260% (0.92   1.0 10.00   4.88 160.32) =  86.034%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.90 +/- 0.17  47.123% *  9.5740% (0.10  10.0 10.00   8.30 312.54) =  13.514%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.87 +/- 0.45   5.915% *  2.1654% (0.04   1.0 10.00   1.32   2.35) =   0.384%  kept
        T QD    LYS+  38 - HA    LYS+  65  17.30 +/- 4.06   1.457% *  0.7849% (0.85   1.0 10.00   0.02   0.02) =   0.034%
        T HB2   LYS+ 121 - HA    LYS+  65  17.02 +/- 2.58   0.433% *  0.8484% (0.92   1.0 10.00   0.02   0.02) =   0.011%
          HD2   LYS+  74 - HA    LYS+  65   8.30 +/- 3.03   3.583% *  0.0481% (0.52   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HA    LYS+ 121  17.34 +/- 3.51   1.505% *  0.0960% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  123 - HA    LYS+  65  16.58 +/- 2.70   0.333% *  0.2900% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HA    LYS+  65  22.59 +/- 3.41   0.148% *  0.4814% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HA    LYS+  65  22.84 +/- 3.57   0.299% *  0.2120% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 121  17.73 +/- 6.13   0.524% *  0.0886% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  65  10.40 +/- 2.26   1.750% *  0.0236% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  19.16 +/- 6.47   0.560% *  0.0543% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  22.68 +/- 3.30   0.213% *  0.1312% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+  65  15.08 +/- 3.13   0.839% *  0.0319% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  65  19.28 +/- 4.01   0.270% *  0.0843% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.45 +/- 1.76   0.210% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  18.26 +/- 1.78   0.211% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  14.84 +/- 1.86   0.492% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.51 +/- 2.64   0.131% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.47 +/- 1.46   0.165% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  28.21 +/- 3.80   0.060% *  0.0095% (0.10   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 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.98, residual support = 160.1:
    *   T QE    LYS+  65 - HA    LYS+  65   4.41 +/- 0.39  70.305% * 97.2340% (0.92 10.00   4.98 160.32) =  99.881%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.34 +/- 3.17   4.627% *  0.8720% (0.83 10.00   0.02   0.02) =   0.059%
        T HB2   ASN   28 - HA    LYS+  65  19.20 +/- 3.37   1.431% *  0.9384% (0.89 10.00   0.02   0.02) =   0.020%
        T HB2   ASN   35 - HA    LYS+  65  19.62 +/- 4.59   1.969% *  0.5898% (0.56 10.00   0.02   0.02) =   0.017%
        T QE    LYS+  65 - HA    LYS+ 121  17.71 +/- 3.89  10.211% *  0.1097% (0.10 10.00   0.02   0.02) =   0.016%
        T QE    LYS+  33 - HA    LYS+ 121  19.75 +/- 5.19   2.897% *  0.0984% (0.09 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HA    LYS+  65  16.04 +/- 3.32   2.628% *  0.0365% (0.35  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    LYS+  65  22.65 +/- 4.30   0.877% *  0.0898% (0.85  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    LYS+ 121  25.33 +/- 7.35   3.182% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  21.96 +/- 5.31   1.229% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  29.89 +/- 4.75   0.327% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  28.12 +/- 2.71   0.316% *  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 = 6.58, residual support = 160.3:
    * O T HA    LYS+  65 - QB    LYS+  65   2.35 +/- 0.14  85.738% * 98.7802% (0.92  10.0 10.00   6.58 160.32) =  99.983%  kept
          QB    SER   48 - QB    LYS+  65  13.92 +/- 5.87   6.993% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LYS+ 121 - QB    LYS+  65  15.80 +/- 2.58   0.805% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HA2   GLY   16 - QB    LYS+  65  14.38 +/- 4.43   0.765% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  13.92 +/- 2.05   0.697% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QB    LYS+  65  14.49 +/- 2.31   2.414% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QB    LYS+  65  14.11 +/- 2.37   0.886% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QB    LYS+  65  15.17 +/- 3.17   0.473% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  19.74 +/- 2.99   0.186% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  15.55 +/- 2.87   0.407% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  18.48 +/- 4.00   0.479% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  21.39 +/- 3.66   0.156% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.955, support = 5.77, residual support = 139.0:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.34 +/- 0.14  71.063% * 57.5064% (1.00  10.0 10.00   5.82 160.32) =  83.482%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.04 +/- 1.36  19.349% * 41.7582% (0.73   1.0 10.00   5.51  31.47) =  16.506%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.92 +/- 2.91   0.633% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.007%
          QG2   THR   26 - QB    LYS+  65  13.33 +/- 2.47   1.550% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QB    LYS+  65   9.21 +/- 1.94   1.832% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - QB    LYS+  65   8.52 +/- 3.05   3.589% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  65  15.03 +/- 2.71   0.905% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.79 +/- 1.95   0.611% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.83 +/- 2.29   0.284% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  18.24 +/- 2.92   0.182% *  0.0143% (0.25   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 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.35, residual support = 160.3:
    * O T QD    LYS+  65 - QB    LYS+  65   2.11 +/- 0.10  88.975% * 97.4795% (1.00  10.0 10.00   5.35 160.32) =  99.968%  kept
        T QD    LYS+  38 - QB    LYS+  65  16.55 +/- 3.86   1.903% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   PRO   93 - QB    LYS+  65  12.63 +/- 2.96   1.489% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          HD2   LYS+  74 - QB    LYS+  65   8.49 +/- 2.60   2.481% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   57 - QB    LYS+  65   8.08 +/- 2.07   3.234% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QB    LYS+  65  20.70 +/- 2.90   0.119% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  65  19.31 +/- 3.01   0.260% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  14.53 +/- 2.53   0.581% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QB    LYS+  65  17.61 +/- 3.80   0.344% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.17 +/- 2.81   0.196% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  13.79 +/- 2.29   0.418% *  0.0333% (0.34   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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 160.3:
    *   T QE    LYS+  65 - QB    LYS+  65   3.21 +/- 0.51  92.979% * 98.8300% (1.00 10.00   5.44 160.32) =  99.981%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.01 +/- 2.75   1.607% *  0.8863% (0.90 10.00   0.02   0.02) =   0.015%
          HB2   ASN   28 - QB    LYS+  65  18.26 +/- 3.56   0.928% *  0.0954% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  18.79 +/- 4.40   1.474% *  0.0599% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QB    LYS+  65  14.69 +/- 3.10   2.328% *  0.0371% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  65  20.47 +/- 3.96   0.684% *  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 = 5.39, residual support = 160.2:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.14 +/- 0.67  74.575% * 97.8884% (0.92  10.0 10.00   5.39 160.32) =  99.954%  kept
          QB    SER   48 - HG2   LYS+  65  15.59 +/- 6.84  15.326% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.017%
        T HA    ALA  120 - HG2   LYS+  65  16.42 +/- 2.89   0.908% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.012%
        T HA    LYS+ 121 - HG2   LYS+  65  18.41 +/- 3.76   1.217% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.010%
          HB    THR   94 - HG2   LYS+  65  16.09 +/- 3.00   2.103% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG2   LYS+  65  16.42 +/- 5.18   1.207% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HG2   LYS+  65  17.21 +/- 4.27   1.128% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG2   LYS+  65  17.63 +/- 3.98   1.188% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  21.92 +/- 3.82   0.380% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HG2   LYS+  65  16.96 +/- 2.68   1.054% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  20.93 +/- 4.39   0.576% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  23.88 +/- 4.44   0.336% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.959, support = 5.69, residual support = 148.0:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.34 +/- 0.14  77.603% * 63.6862% (1.00  10.0 10.00   5.82 160.32) =  90.477%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.25 +/- 1.27  14.415% * 36.0562% (0.57   1.0 10.00   4.42  31.47) =   9.515%  kept
          HG2   PRO   93 - HG2   LYS+  65  14.40 +/- 3.96   3.862% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - HG2   LYS+  65  13.82 +/- 3.29   2.289% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HG2   LYS+  65  13.85 +/- 5.01   1.192% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG2   LYS+  65  16.04 +/- 2.73   0.382% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  22.20 +/- 2.87   0.116% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  20.63 +/- 2.75   0.141% *  0.0159% (0.25   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 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 = 4.65, residual support = 160.2:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.33 +/- 0.14  84.368% * 96.4735% (1.00  10.0 10.00   4.66 160.32) =  99.942%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   9.47 +/- 3.86   5.268% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.035%
        T HB2   LYS+ 121 - HG2   LYS+  65  17.02 +/- 3.62   0.760% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  38 - HG2   LYS+  65  18.87 +/- 4.16   0.696% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.11 +/- 3.89   0.662% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG2   LYS+  65   9.57 +/- 3.10   4.881% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HG2   LYS+  65  14.41 +/- 3.54   2.234% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.97 +/- 3.60   0.385% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  65  23.45 +/- 3.17   0.102% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  65  19.58 +/- 4.07   0.301% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  16.28 +/- 3.15   0.344% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 160.3:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.66 +/- 0.36  96.639% * 98.8300% (1.00  10.0 10.00   4.56 160.32) =  99.986%  kept
        T QE    LYS+  33 - HG2   LYS+  65  17.06 +/- 3.16   1.378% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.013%
          HB2   ASN   28 - HG2   LYS+  65  20.44 +/- 4.17   0.460% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  16.19 +/- 4.04   0.781% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  21.38 +/- 4.79   0.480% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  22.82 +/- 4.47   0.262% *  0.0912% (0.92   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.922, support = 4.88, residual support = 160.2:
    *   T HA    LYS+  65 - QD    LYS+  65   3.39 +/- 0.57  44.699% * 96.9449% (0.92 10.00   4.88 160.32) =  99.906%  kept
        T HA    LYS+ 121 - QD    LYS+  65  17.34 +/- 3.51   2.750% *  0.5946% (0.57 10.00   0.02   0.02) =   0.038%
        T HA    LYS+  65 - QD    LYS+  38  17.30 +/- 4.06   3.193% *  0.1771% (0.17 10.00   0.02   0.02) =   0.013%
          QB    SER   48 - QD    LYS+  65  14.20 +/- 6.24   5.173% *  0.0803% (0.76  1.00   0.02   0.02) =   0.010%
          HA    ALA  120 - QD    LYS+  65  15.46 +/- 2.66   1.975% *  0.0993% (0.95  1.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QD    LYS+ 102  19.16 +/- 6.47   1.192% *  0.1503% (0.14 10.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - QD    LYS+  38  14.55 +/- 4.78   5.339% *  0.0185% (0.18  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - QD    LYS+  38  17.73 +/- 6.13   0.855% *  0.1086% (0.10 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HD3   LYS+ 111  22.84 +/- 3.57   0.387% *  0.2400% (0.23 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD    LYS+  65  15.22 +/- 4.54   0.832% *  0.1014% (0.97  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - QD    LYS+  65  15.97 +/- 2.51   2.715% *  0.0262% (0.25  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD    LYS+  65  15.14 +/- 2.53   0.994% *  0.0679% (0.65  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - QD    LYS+ 102  22.59 +/- 3.41   0.262% *  0.2450% (0.23 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  18.45 +/- 1.76   0.360% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+ 102  21.76 +/- 6.03   1.901% *  0.0256% (0.24  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - HD2   LYS+ 111  22.68 +/- 3.30   0.291% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  65  19.72 +/- 3.71   0.399% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    LYS+  65  15.38 +/- 4.02   0.770% *  0.0511% (0.49  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  18.26 +/- 1.78   0.364% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    LYS+  65  15.94 +/- 3.74   0.661% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HD3   LYS+ 111   9.60 +/- 1.58   3.108% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  19.60 +/- 4.17   0.954% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  14.07 +/- 2.36   0.866% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  20.68 +/- 6.71   0.518% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  21.28 +/- 5.05   0.515% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.38 +/- 1.53   3.115% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.92 +/- 1.72   2.933% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  17.27 +/- 1.08   0.401% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  14.01 +/- 2.38   0.939% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.40 +/- 5.59   0.510% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.98 +/- 1.59   0.469% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.76 +/- 2.45   0.385% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  22.40 +/- 4.54   0.344% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  21.89 +/- 4.19   0.272% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  17.06 +/- 1.40   0.440% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  18.11 +/- 4.54   1.266% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  15.87 +/- 5.46   1.090% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  21.55 +/- 4.26   0.311% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  16.60 +/- 2.08   0.630% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  29.45 +/- 5.05   0.101% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  18.87 +/- 1.85   0.399% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.43 +/- 2.39   0.385% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  23.90 +/- 5.83   0.250% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  17.01 +/- 2.74   0.674% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  19.91 +/- 2.28   0.348% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  21.86 +/- 3.90   0.245% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  16.32 +/- 2.03   0.680% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  18.54 +/- 1.92   0.431% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  22.85 +/- 2.82   0.195% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.85 +/- 4.86   0.273% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  30.16 +/- 4.76   0.098% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  23.49 +/- 6.86   0.437% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.05 +/- 4.74   0.147% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  30.11 +/- 4.91   0.093% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.31 +/- 3.80   0.297% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  28.37 +/- 3.44   0.120% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  27.23 +/- 3.43   0.138% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  21.27 +/- 3.39   0.263% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  27.63 +/- 5.59   0.156% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  29.44 +/- 5.07   0.098% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.07 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.858, support = 5.22, residual support = 157.8:
    * O T QB    LYS+  65 - QD    LYS+  65   2.11 +/- 0.10  40.407% * 69.2270% (1.00  10.0 10.00   5.35 160.32) =  80.456%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.27  35.848% * 17.1509% (0.25  10.0 10.00   4.75 159.85) =  17.684%  kept
          QB    LYS+  66 - QD    LYS+  65   5.01 +/- 1.01   6.587% *  8.7428% (0.57   1.0  1.00   4.46  31.47) =   1.656%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  11.80 +/- 4.75   4.677% *  0.9996% (0.13   1.0 10.00   0.23   0.02) =   0.134%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.99 +/- 1.14   1.747% *  0.8499% (0.06   1.0  1.00   3.90  23.01) =   0.043%
        T HG2   PRO   93 - QD    LYS+  65  13.55 +/- 3.13   0.556% *  0.5782% (0.84   1.0 10.00   0.02   0.02) =   0.009%
        T QB    LYS+  65 - QD    LYS+  38  16.55 +/- 3.86   1.042% *  0.1265% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 102 - QD    LYS+  38  11.66 +/- 4.48   0.914% *  0.1240% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QD    LYS+  65  15.26 +/- 2.65   0.194% *  0.2598% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  65  13.16 +/- 2.87   0.586% *  0.0691% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QD    LYS+  65  20.79 +/- 2.59   0.050% *  0.6786% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65  12.79 +/- 4.48   0.733% *  0.0420% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  10.06 +/- 1.86   0.573% *  0.0475% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+ 102  12.09 +/- 2.98   0.359% *  0.0657% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+  38  10.27 +/- 3.29   1.842% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD3   LYS+ 111  19.31 +/- 3.01   0.132% *  0.1714% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111  12.01 +/- 4.50   1.194% *  0.0143% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.17 +/- 2.81   0.096% *  0.1060% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.70 +/- 2.90   0.055% *  0.1750% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.63 +/- 3.99   0.074% *  0.1039% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  22.50 +/- 3.86   0.072% *  0.1056% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.56 +/- 1.46   0.042% *  0.1462% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  15.47 +/- 4.17   0.609% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  18.01 +/- 4.98   0.237% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  21.54 +/- 3.50   0.054% *  0.0398% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  15.37 +/- 3.66   0.299% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.57 +/- 4.05   0.074% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.47 +/- 2.61   0.064% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.00 +/- 4.79   0.084% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  20.36 +/- 4.00   0.077% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  20.40 +/- 3.43   0.074% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  13.82 +/- 2.94   0.226% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.86 +/- 3.26   0.027% *  0.0171% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  18.67 +/- 3.68   0.097% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  20.29 +/- 3.31   0.069% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  21.61 +/- 3.37   0.052% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.70 +/- 3.42   0.028% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  28.97 +/- 3.89   0.027% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.76 +/- 3.64   0.094% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.92 +/- 3.96   0.024% *  0.0064% (0.09   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 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.94, support = 4.63, residual support = 145.9:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.33 +/- 0.14  35.730% * 54.0927% (1.00  10.0 10.00   4.66 160.32) =  83.849%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.66 +/- 1.41   8.111% * 39.2794% (0.73   1.0 10.00   4.38  31.47) =  13.822%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.26 +/- 0.71  19.367% *  1.4512% (0.03  10.0  1.00   5.20 314.81) =   1.219%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.61 +/- 0.23  10.199% *  2.3452% (0.04  10.0  1.00   5.20 314.81) =   1.038%  kept
        T HB2   LYS+  74 - QD    LYS+  65   9.56 +/- 3.02   1.140% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.022%
        T HD3   LYS+  74 - QD    LYS+  65   8.69 +/- 4.14   5.311% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.019%
        T HD2   LYS+ 121 - QD    LYS+  65  16.52 +/- 3.67   0.395% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   LYS+ 121 - QD    LYS+  65  16.64 +/- 3.41   0.442% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 121 - QD    LYS+  38  16.98 +/- 5.78   0.542% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.11 +/- 3.89   0.274% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QD    LYS+  65  13.70 +/- 2.59   0.609% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  16.54 +/- 4.18   0.355% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HD3   LYS+ 111  23.19 +/- 5.35   1.323% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HD3   LYS+ 111  23.74 +/- 4.68   0.240% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+ 102  18.08 +/- 5.68   0.192% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - QD    LYS+  38  18.87 +/- 4.16   0.229% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+  38  15.76 +/- 3.78   0.305% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  16.95 +/- 2.81   0.144% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+ 102  14.00 +/- 4.88   4.722% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.97 +/- 3.60   0.160% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   7.27 +/- 2.01   3.551% *  0.0034% (0.06   1.0  1.00   0.02   0.27) =   0.001%
        T HB3   LYS+ 121 - QD    LYS+ 102  17.67 +/- 6.23   0.286% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  21.17 +/- 4.77   0.097% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  21.65 +/- 3.84   0.092% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  16.72 +/- 5.89   0.334% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.45 +/- 3.17   0.043% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.25 +/- 4.58   0.325% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  17.49 +/- 1.99   0.102% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  18.12 +/- 4.16   0.170% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.88 +/- 2.07   0.259% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.41 +/- 1.97   0.200% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.24 +/- 1.15   1.056% *  0.0022% (0.04   1.0  1.00   0.02   0.82) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  19.31 +/- 4.99   0.858% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  19.32 +/- 4.81   0.444% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.10 +/- 2.47   0.147% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  12.76 +/- 3.60   0.524% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  23.63 +/- 4.59   0.174% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  16.78 +/- 2.61   0.139% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  22.35 +/- 3.38   0.053% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.73 +/- 3.03   0.072% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  23.09 +/- 5.22   0.720% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.90 +/- 3.20   0.063% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.88 +/- 3.98   0.048% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  21.53 +/- 3.74   0.087% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.81 +/- 3.97   0.046% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  17.30 +/- 1.86   0.100% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.38 +/- 3.51   0.082% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  22.58 +/- 2.97   0.046% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  22.48 +/- 3.25   0.048% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  23.73 +/- 3.92   0.046% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 160.3:
    * O T QE    LYS+  65 - QD    LYS+  65   2.08 +/- 0.03  87.646% * 97.0780% (1.00  10.0 10.00   4.24 160.32) =  99.986%  kept
        T QE    LYS+  65 - QD    LYS+  38  18.26 +/- 4.28   1.742% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  33 - QD    LYS+  65  15.87 +/- 2.67   0.331% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - QD    LYS+  38  10.20 +/- 1.15   0.987% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HD3   LYS+ 111  20.43 +/- 3.70   0.489% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - QD    LYS+ 102  16.53 +/- 4.16   0.259% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HD2   LYS+ 111  20.30 +/- 3.45   0.286% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.01 +/- 1.04   3.364% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  14.46 +/- 4.11   0.842% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.22 +/- 2.76   0.087% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  18.92 +/- 3.57   0.210% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  20.04 +/- 4.71   0.298% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  20.62 +/- 4.28   0.170% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  15.24 +/- 5.52   0.787% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  27.32 +/- 3.19   0.046% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  21.00 +/- 7.89   0.316% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  27.23 +/- 3.35   0.047% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.89 +/- 5.23   0.208% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.25 +/- 6.62   0.537% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.22 +/- 2.16   0.244% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.89 +/- 4.46   0.121% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.20 +/- 6.51   0.412% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  24.59 +/- 7.27   0.127% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  21.89 +/- 4.26   0.111% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.28 +/- 5.45   0.048% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  29.26 +/- 5.43   0.048% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  29.78 +/- 4.67   0.043% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  24.44 +/- 2.86   0.066% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  23.66 +/- 4.00   0.084% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  29.80 +/- 4.67   0.043% *  0.0090% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.89, support = 4.92, residual support = 154.4:
    *   T HA    LYS+  65 - QE    LYS+  65   4.41 +/- 0.39  43.066% * 88.0388% (0.92 10.00   4.98 160.32) =  95.946%  kept
        T HA    GLN   32 - QE    LYS+  33   7.05 +/- 1.16  15.774% *  9.7024% (0.10 10.00   3.56  16.14) =   3.873%  kept
        T HA    LYS+ 121 - QE    LYS+  65  17.71 +/- 3.89   6.278% *  0.5399% (0.57 10.00   0.02   0.02) =   0.086%
        T HA    LYS+  65 - QE    LYS+  33  15.34 +/- 3.17   3.003% *  0.4526% (0.47 10.00   0.02   0.02) =   0.034%
          QB    SER   48 - QE    LYS+  65  14.12 +/- 6.31   7.444% *  0.0729% (0.76  1.00   0.02   0.02) =   0.014%
        T HA    LYS+ 121 - QE    LYS+  33  19.75 +/- 5.19   1.765% *  0.2776% (0.29 10.00   0.02   0.02) =   0.012%
        T HA    GLN   32 - QE    LYS+  65  19.89 +/- 4.32   1.616% *  0.1887% (0.20 10.00   0.02   0.02) =   0.008%
          HA    ALA  120 - QE    LYS+  65  15.82 +/- 2.95   2.356% *  0.0902% (0.95  1.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - QE    LYS+  65  15.88 +/- 4.44   1.677% *  0.0920% (0.97  1.00   0.02   0.02) =   0.004%
          HA2   GLY   16 - QE    LYS+  33  11.90 +/- 2.55   2.854% *  0.0473% (0.50  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - QE    LYS+  33  20.71 +/- 4.76   2.434% *  0.0464% (0.49  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - QE    LYS+  65  15.23 +/- 3.00   1.589% *  0.0617% (0.65  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QE    LYS+  65  15.05 +/- 4.33   1.748% *  0.0464% (0.49  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - QE    LYS+  65  16.13 +/- 2.64   2.868% *  0.0238% (0.25  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QE    LYS+  65  19.80 +/- 4.14   0.629% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QE    LYS+  65  15.68 +/- 4.11   1.518% *  0.0325% (0.34  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  23.55 +/- 5.08   0.486% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QE    LYS+  33  20.15 +/- 1.76   0.504% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  22.59 +/- 2.85   0.361% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  21.50 +/- 4.86   0.645% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  20.13 +/- 3.74   0.718% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.60 +/- 2.99   0.203% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.95 +/- 2.67   0.214% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  27.46 +/- 4.65   0.248% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.981, support = 5.4, residual support = 154.7:
    *   T QB    LYS+  65 - QE    LYS+  65   3.21 +/- 0.51  51.425% * 88.1005% (1.00 10.00   5.44 160.32) =  95.641%  kept
          QB    LYS+  66 - QE    LYS+  65   5.85 +/- 1.37  18.816% * 10.8814% (0.57  1.00   4.36  31.47) =   4.322%  kept
          HG2   PRO   93 - QE    LYS+  65  13.45 +/- 3.92   5.696% *  0.0736% (0.84  1.00   0.02   0.02) =   0.009%
        T QB    LYS+  65 - QE    LYS+  33  15.01 +/- 2.75   0.872% *  0.4529% (0.51 10.00   0.02   0.02) =   0.008%
          HB2   LEU   71 - QE    LYS+  33   9.43 +/- 2.68   6.357% *  0.0452% (0.51  1.00   0.02   0.02) =   0.006%
          HB3   GLN   17 - QE    LYS+  33  10.58 +/- 2.67   7.176% *  0.0275% (0.31  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - QE    LYS+  65  13.88 +/- 2.97   1.790% *  0.0879% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - QE    LYS+  65  13.48 +/- 4.33   2.023% *  0.0534% (0.61  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QE    LYS+  33  10.80 +/- 2.26   2.224% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  15.51 +/- 4.05   0.802% *  0.0444% (0.50  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  65  15.75 +/- 2.53   0.701% *  0.0331% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.03 +/- 2.73   0.818% *  0.0256% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.09 +/- 2.49   0.220% *  0.0864% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  22.21 +/- 3.44   0.340% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  19.78 +/- 2.41   0.264% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.58 +/- 2.78   0.477% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.991, support = 4.56, residual support = 156.2:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.66 +/- 0.36  54.807% * 84.7626% (1.00  10.0 10.00   4.56 160.32) =  96.795%  kept
          QD    LYS+  66 - QE    LYS+  65   6.51 +/- 1.61  10.666% * 14.2736% (0.73   1.0  1.00   4.64  31.47) =   3.172%  kept
          QG2   THR   26 - QE    LYS+  65  13.86 +/- 2.93   5.076% *  0.0840% (0.99   1.0  1.00   0.02   0.02) =   0.009%
          QG2   THR   26 - QE    LYS+  33   6.09 +/- 1.45   7.971% *  0.0432% (0.51   1.0  1.00   0.02   0.02) =   0.007%
        T HG2   LYS+  65 - QE    LYS+  33  17.06 +/- 3.16   0.619% *  0.4357% (0.51   1.0 10.00   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QE    LYS+  65  10.03 +/- 3.06   2.624% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - QE    LYS+  65   9.11 +/- 4.26   9.901% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - QE    LYS+  65  16.91 +/- 3.97   0.977% *  0.0840% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - QE    LYS+  65  16.98 +/- 3.79   2.293% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  33  13.50 +/- 2.82   0.789% *  0.0364% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QE    LYS+  33  15.45 +/- 3.07   0.785% *  0.0316% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  33  18.89 +/- 4.89   0.331% *  0.0432% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.14 +/- 1.31   0.940% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.02 +/- 1.96   0.414% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  20.01 +/- 3.09   0.212% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.05 +/- 2.98   0.295% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.75 +/- 3.96   0.348% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  18.68 +/- 5.01   0.346% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  15.68 +/- 3.05   0.526% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.15 +/- 2.65   0.077% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 160.3:
    * O T QD    LYS+  65 - QE    LYS+  65   2.08 +/- 0.03  81.913% * 96.2302% (1.00  10.0 10.00   4.24 160.32) =  99.963%  kept
        T QD    LYS+  38 - QE    LYS+  65  18.26 +/- 4.28   1.634% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.018%
        T QD    LYS+  38 - QE    LYS+  33  10.20 +/- 1.15   0.922% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - QE    LYS+  65   9.30 +/- 3.81   3.100% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+  33  15.87 +/- 2.67   0.309% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - QE    LYS+  65   8.70 +/- 3.22   5.559% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - QE    LYS+  65  16.53 +/- 3.59   1.232% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  20.43 +/- 3.70   0.458% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  33  16.53 +/- 4.16   0.242% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QE    LYS+  65  13.38 +/- 3.63   1.617% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  22.22 +/- 2.76   0.081% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+  65  20.30 +/- 3.45   0.268% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  65  17.86 +/- 4.24   0.316% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  20.36 +/- 5.06   0.868% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  18.69 +/- 4.74   0.240% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  15.70 +/- 3.02   0.336% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.78 +/- 2.94   0.379% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  21.96 +/- 5.28   0.137% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  27.32 +/- 3.19   0.043% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  27.23 +/- 3.35   0.044% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.95 +/- 3.01   0.191% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  22.33 +/- 3.54   0.111% *  0.0186% (0.19   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 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 = 0.99, support = 5.18, residual support = 116.9:
    * O T QB    LYS+  66 - HA    LYS+  66   2.41 +/- 0.14  83.750% * 85.7809% (1.00  10.0 10.00   5.17 118.94) =  97.642%  kept
          QB    LYS+  65 - HA    LYS+  66   4.60 +/- 0.32  12.977% * 13.3511% (0.57   1.0  1.00   5.50  31.47) =   2.355%  kept
        T HB3   PRO   52 - HA    LYS+  66  21.65 +/- 1.49   0.122% *  0.4857% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  11.52 +/- 1.99   1.030% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    LYS+  66  14.08 +/- 4.07   0.911% *  0.0486% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LYS+  66  17.36 +/- 3.24   0.477% *  0.0769% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  15.29 +/- 2.06   0.380% *  0.0811% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.49 +/- 3.52   0.182% *  0.0717% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  21.47 +/- 3.94   0.172% *  0.0589% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.973, support = 4.32, residual support = 112.5:
    * O T QG    LYS+  66 - HA    LYS+  66   2.44 +/- 0.47  71.602% * 64.6322% (1.00  10.0 10.00   4.31 118.94) =  93.819%  kept
        T HG    LEU   67 - HA    LYS+  66   5.74 +/- 1.08   8.520% * 24.2572% (0.38   1.0 10.00   4.81  15.50) =   4.190%  kept
          HB3   LEU   67 - HA    LYS+  66   5.52 +/- 0.46   9.090% * 10.7502% (0.95   1.0  1.00   3.52  15.50) =   1.981%  kept
          HG    LEU   73 - HA    LYS+  66  13.23 +/- 2.42   2.356% *  0.0611% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   61 - HA    LYS+  66   8.34 +/- 1.00   2.344% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   80 - HA    LYS+  66  20.73 +/- 4.93   1.906% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE   19 - HA    LYS+  66  13.49 +/- 4.02   1.083% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  66  12.32 +/- 1.59   1.157% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    LYS+  66  20.40 +/- 4.38   1.217% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  15.78 +/- 1.61   0.343% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  18.40 +/- 2.22   0.250% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  24.89 +/- 4.88   0.133% *  0.0561% (0.87   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 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.985, support = 4.68, residual support = 114.2:
    *   T QD    LYS+  66 - HA    LYS+  66   3.09 +/- 0.67  66.727% * 85.3246% (1.00 10.00   4.69 118.94) =  94.634%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.80 +/- 1.20  23.472% * 13.6945% (0.73  1.00   4.42  31.47) =   5.343%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  16.89 +/- 3.81   1.495% *  0.6832% (0.80 10.00   0.02   0.02) =   0.017%
          HD3   LYS+  74 - HA    LYS+  66  10.93 +/- 3.26   3.057% *  0.0449% (0.53  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    LYS+  66  11.21 +/- 2.52   2.709% *  0.0320% (0.38  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  16.81 +/- 3.29   0.824% *  0.0586% (0.69  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  66  15.18 +/- 2.41   0.825% *  0.0552% (0.65  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+  66  19.96 +/- 4.55   0.613% *  0.0586% (0.69  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+  66  21.21 +/- 2.59   0.277% *  0.0483% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.41, residual support = 118.9:
    *   T QE    LYS+  66 - HA    LYS+  66   4.02 +/- 0.73  84.041% * 99.6609% (1.00 10.00   4.41 118.94) =  99.977%  kept
        T HB2   ASP-  76 - HA    LYS+  66  16.00 +/- 3.54   6.703% *  0.2219% (0.22 10.00   0.02   0.02) =   0.018%
          HB3   ASN   35 - HA    LYS+  66  19.25 +/- 5.01   2.654% *  0.0864% (0.87  1.00   0.02   0.02) =   0.003%
          HB2   ASN   69 - HA    LYS+  66  10.27 +/- 0.74   6.603% *  0.0308% (0.31  1.00   0.02   0.02) =   0.002%
    Distance limit 4.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 118.9:
    * O T HA    LYS+  66 - QB    LYS+  66   2.41 +/- 0.14  96.867% * 99.9488% (1.00  10.0 10.00   5.17 118.94) =  99.999%  kept
          HA1   GLY   16 - QB    LYS+  66  12.86 +/- 4.57   2.085% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  18.59 +/- 4.33   0.673% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  20.46 +/- 3.96   0.375% *  0.0154% (0.15   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 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 = 0.98, support = 4.52, residual support = 114.8:
    * O T QG    LYS+  66 - QB    LYS+  66   2.07 +/- 0.03  80.648% * 64.3904% (1.00  10.0 10.00   4.52 118.94) =  96.000%  kept
        T HG    LEU   67 - QB    LYS+  66   5.99 +/- 1.20   7.039% * 24.1664% (0.38   1.0 10.00   4.75  15.50) =   3.145%  kept
          HB3   LEU   67 - QB    LYS+  66   5.66 +/- 0.51   4.337% * 10.5814% (0.95   1.0  1.00   3.47  15.50) =   0.848%  kept
          QB    ALA   61 - QB    LYS+  66   7.15 +/- 1.37   2.801% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 102 - QB    LYS+  66  22.33 +/- 4.70   0.114% *  0.5585% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QB    LYS+  66  18.76 +/- 4.72   1.302% *  0.0417% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QB    LYS+  66  12.72 +/- 2.28   0.701% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+  66  11.29 +/- 1.98   0.954% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QB    LYS+  66  13.11 +/- 2.83   0.454% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  13.21 +/- 2.11   0.390% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  18.41 +/- 4.30   1.014% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  15.56 +/- 2.37   0.247% *  0.0391% (0.61   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 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.97, support = 4.75, residual support = 109.3:
    * O T QD    LYS+  66 - QB    LYS+  66   2.23 +/- 0.25  77.906% * 57.5492% (1.00  10.0 10.00   4.79 118.94) =  88.963%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.25 +/- 1.27  13.290% * 41.7893% (0.73   1.0 10.00   4.42  31.47) =  11.020%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  14.55 +/- 3.68   1.320% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.012%
          HD3   LYS+  74 - QB    LYS+  66  10.34 +/- 2.55   3.642% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QB    LYS+  66  10.81 +/- 1.91   1.898% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66  14.56 +/- 3.12   0.675% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QB    LYS+  66  14.33 +/- 2.33   0.584% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  17.70 +/- 4.42   0.478% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  17.99 +/- 2.71   0.208% *  0.0326% (0.57   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.56, residual support = 118.9:
    *   T QE    LYS+  66 - QB    LYS+  66   2.94 +/- 0.63  88.270% * 99.6609% (1.00 10.00   4.56 118.94) =  99.986%  kept
        T HB2   ASP-  76 - QB    LYS+  66  14.53 +/- 3.64   3.157% *  0.2219% (0.22 10.00   0.02   0.02) =   0.008%
          HB3   ASN   35 - QB    LYS+  66  17.92 +/- 5.00   5.211% *  0.0864% (0.87  1.00   0.02   0.02) =   0.005%
          HB2   ASN   69 - QB    LYS+  66   9.84 +/- 0.78   3.362% *  0.0308% (0.31  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 = 0.992, support = 4.32, residual support = 118.0:
    * O T HA    LYS+  66 - QG    LYS+  66   2.44 +/- 0.47  75.631% * 92.8046% (1.00  10.0 10.00   4.31 118.94) =  99.086%  kept
        T HA    LYS+  66 - HG    LEU   67   5.74 +/- 1.08   9.058% *  7.1442% (0.08   1.0 10.00   4.81  15.50) =   0.914%  kept
          HA1   GLY   16 - QG    LYS+  66  13.15 +/- 4.74   1.507% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  20.88 +/- 3.94   1.005% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  11.19 +/- 7.08  10.621% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  19.09 +/- 4.48   0.393% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  21.69 +/- 3.95   1.246% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  16.47 +/- 3.84   0.539% *  0.0016% (0.02   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.978, support = 4.57, residual support = 115.1:
    * O T QB    LYS+  66 - QG    LYS+  66   2.07 +/- 0.03  68.863% * 79.3153% (1.00  10.0 10.00   4.52 118.94) =  95.731%  kept
          QB    LYS+  65 - QG    LYS+  66   4.20 +/- 1.03  15.957% * 12.8910% (0.57   1.0  1.00   5.74  31.47) =   3.605%  kept
        T QB    LYS+  66 - HG    LEU   67   5.99 +/- 1.20   6.126% *  6.1058% (0.08   1.0 10.00   4.75  15.50) =   0.656%  kept
        T HB    VAL   41 - QG    LYS+  66  14.83 +/- 2.48   0.286% *  0.7503% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+ 102 - QG    LYS+  66  19.97 +/- 4.30   0.186% *  0.5448% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG    LEU   67  11.22 +/- 2.12   0.614% *  0.0578% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QG    LYS+  66  12.55 +/- 3.59   0.616% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  15.57 +/- 2.67   0.265% *  0.0711% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  19.14 +/- 4.07   0.279% *  0.0662% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  12.04 +/- 1.63   0.423% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  17.67 +/- 4.28   0.220% *  0.0419% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   8.33 +/- 2.22   2.435% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.38 +/- 1.15   2.014% *  0.0035% (0.04   1.0  1.00   0.02   0.33) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.04 +/- 1.71   0.095% *  0.0449% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  14.32 +/- 5.31   0.950% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.55 +/- 3.98   0.316% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  16.87 +/- 3.39   0.288% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  21.80 +/- 2.22   0.067% *  0.0035% (0.04   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 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 = 0.988, support = 4.38, residual support = 116.0:
    * O T QD    LYS+  66 - QG    LYS+  66   2.08 +/- 0.03  72.495% * 79.6706% (1.00  10.0 10.00   4.37 118.94) =  96.738%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.40 +/- 1.50  12.841% * 13.1848% (0.73   1.0  1.00   4.56  31.47) =   2.836%  kept
        T QD    LYS+  66 - HG    LEU   67   6.94 +/- 1.39   4.065% *  6.1331% (0.08   1.0 10.00   4.19  15.50) =   0.418%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  15.46 +/- 3.55   0.488% *  0.6380% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          HD3   LYS+  74 - QG    LYS+  66  10.77 +/- 2.53   1.011% *  0.0419% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - HG    LEU   67  10.23 +/- 2.43   1.262% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  18.53 +/- 4.83   0.451% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  14.61 +/- 2.66   0.478% *  0.0515% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  11.33 +/- 1.81   0.657% *  0.0299% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  15.44 +/- 3.20   0.320% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  15.45 +/- 3.74   0.278% *  0.0491% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  10.59 +/- 3.06   3.098% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  18.71 +/- 2.62   0.155% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.72 +/- 1.48   1.365% *  0.0045% (0.06   1.0  1.00   0.02   0.33) =   0.000%
          HG    LEU  104 - HG    LEU   67  16.03 +/- 5.01   0.406% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  15.29 +/- 3.45   0.269% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.15 +/- 1.69   0.271% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.51 +/- 2.34   0.089% *  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 = 0.993, support = 3.78, residual support = 118.1:
    * O T QE    LYS+  66 - QG    LYS+  66   2.19 +/- 0.15  79.124% * 92.5373% (1.00  10.0 10.00   3.78 118.94) =  99.203%  kept
        T QE    LYS+  66 - HG    LEU   67   7.80 +/- 1.87   8.213% *  7.1236% (0.08   1.0 10.00   3.96  15.50) =   0.793%  kept
        T HB2   ASP-  76 - QG    LYS+  66  15.03 +/- 3.20   0.822% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASN   35 - QG    LYS+  66  18.52 +/- 5.13   0.766% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66  10.45 +/- 1.02   0.849% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.06 +/- 2.18   8.536% *  0.0022% (0.02   1.0  1.00   0.02   2.95) =   0.000%
          HB3   ASN   35 - HG    LEU   67  16.01 +/- 4.41   1.291% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  15.05 +/- 2.61   0.399% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 4.69, residual support = 118.9:
    *   T HA    LYS+  66 - QD    LYS+  66   3.09 +/- 0.67  87.112% * 99.8184% (1.00 10.00   4.69 118.94) =  99.994%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  16.89 +/- 3.81   3.253% *  0.1241% (0.12 10.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - QD    LYS+  66  13.25 +/- 4.99   4.586% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QD    LYS+  66  18.95 +/- 4.62   1.709% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  21.50 +/- 3.81   1.337% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  21.59 +/- 5.39   0.797% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  18.66 +/- 3.92   1.060% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  28.32 +/- 3.47   0.145% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.941, support = 4.89, residual support = 107.1:
    * O T QB    LYS+  66 - QD    LYS+  66   2.23 +/- 0.25  71.166% * 63.5425% (1.00  10.0 10.00   4.79 118.94) =  86.432%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.04 +/- 1.36  19.723% * 35.9749% (0.57   1.0 10.00   5.51  31.47) =  13.562%  kept
        T QB    LYS+  66 - HD2   LYS+ 121  14.55 +/- 3.68   1.317% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  123 - QD    LYS+  66  12.77 +/- 4.07   1.012% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QD    LYS+  66  19.38 +/- 4.39   0.612% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 121  14.92 +/- 2.91   0.710% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD    LYS+  66  15.08 +/- 2.73   0.432% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  12.28 +/- 1.91   0.660% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  16.36 +/- 3.00   0.316% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  20.07 +/- 4.56   0.333% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   9.18 +/- 1.16   1.325% *  0.0045% (0.07   1.0  1.00   0.02   2.35) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  19.69 +/- 2.00   0.130% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.40 +/- 4.62   0.518% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  16.23 +/- 5.66   0.574% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  16.88 +/- 5.90   0.444% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  16.24 +/- 4.33   0.405% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.06 +/- 2.00   0.202% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.73 +/- 3.00   0.121% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 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 = 0.987, support = 4.36, residual support = 116.4:
    * O T QG    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  80.096% * 65.9084% (1.00  10.0 10.00   4.37 118.94) =  97.504%  kept
        T HG    LEU   67 - QD    LYS+  66   6.94 +/- 1.39   4.445% * 24.7361% (0.38   1.0 10.00   4.19  15.50) =   2.031%  kept
          HB3   LEU   67 - QD    LYS+  66   6.81 +/- 0.96   2.829% *  8.7499% (0.95   1.0  1.00   2.81  15.50) =   0.457%  kept
          QB    ALA   61 - QD    LYS+  66   8.34 +/- 1.51   2.055% *  0.0551% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   40 - HD2   LYS+ 121  11.62 +/- 4.58   2.288% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HD2   LYS+ 121  15.46 +/- 3.55   0.531% *  0.0820% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+  66  12.27 +/- 2.46   1.196% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD    LYS+  66  19.72 +/- 4.66   0.873% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121   9.80 +/- 0.95   0.849% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    LYS+  66  13.90 +/- 2.28   0.415% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  13.73 +/- 3.01   0.407% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  19.35 +/- 4.31   1.003% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  14.56 +/- 2.19   0.318% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  15.45 +/- 3.74   0.308% *  0.0308% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  16.64 +/- 2.39   0.202% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  23.23 +/- 5.50   0.127% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  12.99 +/- 2.24   0.516% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  15.05 +/- 3.69   0.354% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  17.82 +/- 4.78   0.313% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  20.29 +/- 6.52   0.263% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.34 +/- 1.59   0.305% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  18.45 +/- 3.97   0.185% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  26.40 +/- 5.15   0.065% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  26.07 +/- 4.15   0.057% *  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 = 4.02, residual support = 118.9:
    * O T QE    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  93.946% * 99.4957% (1.00  10.0 10.00   4.02 118.94) =  99.994%  kept
          HB3   ASN   35 - QD    LYS+  66  18.43 +/- 5.39   2.947% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - QD    LYS+  66  15.64 +/- 3.29   0.659% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  66 - HD2   LYS+ 121  16.46 +/- 3.93   0.754% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66  10.53 +/- 1.24   0.840% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  23.78 +/- 3.24   0.083% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  15.27 +/- 4.71   0.596% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  20.80 +/- 5.15   0.175% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 118.9:
    *   T HA    LYS+  66 - QE    LYS+  66   4.02 +/- 0.73  72.453% * 99.7309% (1.00 10.00   4.41 118.94) =  99.981%  kept
        T HA    LYS+  66 - HB2   ASP-  76  16.00 +/- 3.54   5.728% *  0.2073% (0.21 10.00   0.02   0.02) =   0.016%
          HA1   GLY   16 - QE    LYS+  66  14.09 +/- 4.56   5.611% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QE    LYS+  66  21.56 +/- 4.65   3.434% *  0.0154% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  66  19.83 +/- 4.55   1.502% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASP-  76   8.65 +/- 1.08   9.905% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  23.81 +/- 2.98   0.533% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  22.12 +/- 6.86   0.835% *  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 = 0.985, support = 4.57, residual support = 115.8:
    *   T QB    LYS+  66 - QE    LYS+  66   2.94 +/- 0.63  66.969% * 87.3230% (1.00 10.00   4.56 118.94) =  96.464%  kept
          QB    LYS+  65 - QE    LYS+  66   5.56 +/- 0.93  17.855% * 11.9553% (0.57  1.00   4.84  31.47) =   3.521%  kept
        T QB    LYS+  66 - HB2   ASP-  76  14.53 +/- 3.64   2.450% *  0.1815% (0.21 10.00   0.02   0.02) =   0.007%
          HG    LEU  123 - QE    LYS+  66  13.22 +/- 3.98   2.393% *  0.0494% (0.57  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QE    LYS+  66  16.75 +/- 3.15   0.776% *  0.0783% (0.90  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  66  15.85 +/- 3.03   0.585% *  0.0826% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  13.19 +/- 1.79   0.971% *  0.0459% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB2   ASP-  76  13.80 +/- 2.91   2.647% *  0.0163% (0.19  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  66  20.03 +/- 4.85   0.485% *  0.0729% (0.84  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  66  20.70 +/- 4.63   0.323% *  0.0600% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  14.91 +/- 2.91   0.845% *  0.0172% (0.20  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  12.77 +/- 2.66   1.388% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.93 +/- 2.24   0.257% *  0.0494% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.71 +/- 2.30   0.714% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  18.15 +/- 3.06   0.436% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  19.03 +/- 4.23   0.464% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  20.80 +/- 2.68   0.274% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  24.32 +/- 2.52   0.169% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.42 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 = 0.977, support = 3.78, residual support = 114.7:
    * O T QG    LYS+  66 - QE    LYS+  66   2.19 +/- 0.15  59.125% * 65.2113% (1.00  10.0 10.00   3.78 118.94) =  95.920%  kept
        T HG    LEU   67 - QE    LYS+  66   7.80 +/- 1.87   5.893% * 24.4745% (0.38   1.0 10.00   3.96  15.50) =   3.588%  kept
          HB3   LEU   67 - QE    LYS+  66   7.73 +/- 0.98   1.994% *  9.6755% (0.95   1.0  1.00   3.14  15.50) =   0.480%  kept
        T QG    LYS+  66 - HB2   ASP-  76  15.03 +/- 3.20   0.624% *  0.1356% (0.21   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   80 - HB2   ASP-  76   7.18 +/- 2.12   9.427% *  0.0088% (0.13   1.0  1.00   0.02   1.32) =   0.002%
          QB    ALA   61 - QE    LYS+  66   8.75 +/- 1.40   1.253% *  0.0545% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - QE    LYS+  66  19.92 +/- 5.39   1.290% *  0.0422% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  66  13.16 +/- 2.83   1.162% *  0.0317% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB2   ASP-  76   6.45 +/- 1.77  11.345% *  0.0024% (0.04   1.0  1.00   0.02   1.32) =   0.001%
          HB2   LEU   80 - QE    LYS+  66  19.51 +/- 5.18   2.218% *  0.0114% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  66  14.54 +/- 2.64   0.364% *  0.0617% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HB2   ASP-  76  15.05 +/- 2.61   0.296% *  0.0509% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  14.51 +/- 3.16   0.336% *  0.0343% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  14.97 +/- 2.65   0.350% *  0.0317% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  11.19 +/- 2.22   0.849% *  0.0128% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  11.20 +/- 2.71   0.839% *  0.0113% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  16.47 +/- 6.28   1.310% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  16.88 +/- 2.77   0.226% *  0.0396% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  23.94 +/- 5.67   0.126% *  0.0566% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  14.85 +/- 2.00   0.245% *  0.0128% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  16.43 +/- 4.16   0.344% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  17.28 +/- 2.63   0.200% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  23.78 +/- 3.32   0.067% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  18.48 +/- 2.72   0.116% *  0.0066% (0.10   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 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.02, residual support = 118.3:
    * O T QD    LYS+  66 - QE    LYS+  66   2.08 +/- 0.03  77.959% * 85.6432% (1.00  10.0 10.00   4.02 118.94) =  99.275%  kept
          HG2   LYS+  65 - QE    LYS+  66   6.95 +/- 1.54   3.686% * 12.9766% (0.73   1.0  1.00   4.17  31.47) =   0.711%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  16.46 +/- 3.93   0.627% *  0.6858% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HD3   LYS+  74 - QE    LYS+  66  11.78 +/- 2.72   4.283% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  66 - HB2   ASP-  76  15.64 +/- 3.29   0.543% *  0.1781% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  66  12.38 +/- 2.27   1.874% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QE    LYS+  66  19.29 +/- 5.38   0.599% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HB2   ASP-  76   7.57 +/- 1.56   4.688% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.49 +/- 1.57   2.933% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  16.40 +/- 3.68   0.443% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  15.41 +/- 2.74   0.348% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  19.56 +/- 3.55   0.229% *  0.0485% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  13.95 +/- 4.73   0.909% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  23.78 +/- 3.24   0.069% *  0.1426% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  14.08 +/- 3.46   0.475% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  20.96 +/- 4.20   0.155% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  21.81 +/- 3.55   0.117% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  23.84 +/- 3.18   0.063% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 36.0:
    * O T HB2   PRO   68 - HA    PRO   68   2.56 +/- 0.21  98.997% * 98.6006% (0.84  10.0 10.00   2.00  36.05) =  99.996%  kept
        T HB    VAL   24 - HA    PRO   68  21.70 +/- 3.32   0.235% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          QB    GLN   32 - HA    PRO   68  17.59 +/- 3.11   0.430% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    PRO   68  20.55 +/- 6.53   0.338% *  0.1059% (0.90   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 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.0:
    * O T HA    PRO   68 - HB2   PRO   68   2.56 +/- 0.21  99.763% * 99.1920% (0.84  10.0 10.00   2.00  36.05) =  99.998%  kept
        T HA    PRO   68 - HB    VAL   24  21.70 +/- 3.32   0.237% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.51 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 = 59.0:
    * O T HB2   ASN   69 - HA    ASN   69   2.66 +/- 0.18  93.231% * 99.7955% (1.00  10.0 10.00   3.31  58.99) =  99.998%  kept
          QE    LYS+  33 - HA    ASN   69  13.33 +/- 3.10   4.527% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HA    ASN   69  10.91 +/- 1.15   1.595% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  19.11 +/- 3.19   0.401% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  22.58 +/- 3.41   0.245% *  0.0605% (0.61   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 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 59.0:
    * O T HB3   ASN   69 - HA    ASN   69   2.73 +/- 0.31  95.211% * 99.7714% (1.00  10.0 10.00   2.99  58.99) =  99.996%  kept
          QE    LYS+  74 - HA    ASN   69  12.56 +/- 2.74   2.272% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HA    ASN   69  10.45 +/- 0.92   2.125% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    CYS   50 - HA    ASN   69  20.30 +/- 3.42   0.393% *  0.0799% (0.80   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 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.0:
    * O T HA    ASN   69 - HB2   ASN   69   2.66 +/- 0.18  97.913% * 99.8126% (1.00  10.0 10.00   3.31  58.99) =  99.998%  kept
          HA    VAL   43 - HB2   ASN   69  14.46 +/- 2.59   1.871% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS   22 - HB2   ASN   69  21.48 +/- 2.14   0.215% *  0.0978% (0.98   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 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 = 59.0:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.148% * 99.7714% (1.00  10.0 10.00   3.97  58.99) =  99.999%  kept
          HB2   PHE   72 - HB2   ASN   69  11.22 +/- 0.82   0.399% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  13.54 +/- 2.50   0.333% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  20.65 +/- 3.84   0.121% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 59.0:
    * O T HA    ASN   69 - HB3   ASN   69   2.73 +/- 0.31  98.725% * 99.8126% (1.00  10.0 10.00   2.99  58.99) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  14.39 +/- 2.38   1.023% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  21.22 +/- 2.25   0.253% *  0.0978% (0.98   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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.0:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  98.857% * 99.7955% (1.00  10.0 10.00   3.97  58.99) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.18 +/- 1.44   0.457% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.08 +/- 2.93   0.549% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  20.05 +/- 2.68   0.084% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  23.41 +/- 2.88   0.053% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 79.2:
    * O T HB    VAL   70 - HA    VAL   70   2.85 +/- 0.24  68.430% * 97.2460% (1.00  10.0 10.00   4.30  79.28) =  99.880%  kept
        T QG    GLN   17 - HA    VAL   70   9.57 +/- 4.74   7.397% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.107%  kept
        T QG    GLN   17 - HB2   SER   82  23.96 +/- 7.18   0.527% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   70 - HB2   SER   82  22.74 +/- 3.08   0.166% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HA    SER   48  19.63 +/- 3.53   0.324% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLN   17 - HA    SER   48  21.99 +/- 6.08   0.316% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  22.10 +/- 9.67   1.551% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    VAL   70  13.68 +/- 2.71   0.917% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48  13.04 +/- 5.56  12.322% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HA    VAL   70  10.59 +/- 2.70   2.825% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  15.60 +/- 6.53   1.127% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   SER   82  16.26 +/- 4.42   0.625% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.12 +/- 2.06   1.826% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.41 +/- 1.63   0.193% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  16.67 +/- 1.38   0.367% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  16.73 +/- 2.14   0.467% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  26.23 +/- 5.02   0.201% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.06 +/- 6.59   0.144% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  27.52 +/- 6.08   0.116% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  28.90 +/- 3.26   0.086% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  28.58 +/- 2.88   0.075% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.8, residual support = 75.8:
    * O T QG1   VAL   70 - HA    VAL   70   2.68 +/- 0.27  60.670% * 78.5189% (1.00  10.0 10.00   4.77  79.28) =  92.464%  kept
          QD1   LEU   71 - HA    VAL   70   4.83 +/- 1.01  20.051% * 19.1218% (0.92   1.0  1.00   5.28  34.20) =   7.442%  kept
        T QG1   VAL   18 - HA    VAL   70   8.77 +/- 4.67   4.898% *  0.7696% (0.98   1.0 10.00   0.02   0.02) =   0.073%
          HB3   LEU   63 - HA    VAL   70   7.92 +/- 2.15   6.008% *  0.0445% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - HA    VAL   70  11.29 +/- 4.64   3.678% *  0.0725% (0.92   1.0  1.00   0.02   0.02) =   0.005%
        T QG1   VAL   18 - HB2   SER   82  19.36 +/- 7.81   0.336% *  0.3730% (0.47   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - HA    SER   48  17.71 +/- 6.88   0.534% *  0.1753% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HB2   SER   82  19.75 +/- 2.64   0.200% *  0.3805% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - HA    SER   48  16.81 +/- 3.26   0.420% *  0.1789% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   70  15.12 +/- 5.23   1.503% *  0.0476% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  123 - HA    SER   48  18.65 +/- 3.17   0.328% *  0.1651% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   SER   82  21.29 +/- 3.53   0.191% *  0.0351% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  16.97 +/- 3.86   0.526% *  0.0101% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  24.93 +/- 2.88   0.091% *  0.0351% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  22.22 +/- 3.67   0.142% *  0.0215% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  24.85 +/- 5.09   0.126% *  0.0231% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  20.16 +/- 2.87   0.169% *  0.0165% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  24.18 +/- 3.84   0.128% *  0.0108% (0.14   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 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 79.3:
    * O T QG2   VAL   70 - HA    VAL   70   2.29 +/- 0.34  99.369% * 99.2926% (0.80  10.0 10.00   4.00  79.28) =  99.998%  kept
        T QG2   VAL   70 - HB2   SER   82  18.83 +/- 2.76   0.274% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HA    SER   48  16.43 +/- 2.50   0.357% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.23 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 = 0.993, support = 4.3, residual support = 79.0:
    * O T HA    VAL   70 - HB    VAL   70   2.85 +/- 0.24  47.003% * 95.2148% (1.00  10.0 10.00   4.30  79.28) =  99.196%  kept
          HA    VAL   18 - QG    GLN   17   4.94 +/- 0.68  10.372% *  2.7082% (0.13   1.0  1.00   4.46  49.73) =   0.623%  kept
          HA1   GLY   16 - QG    GLN   17   4.97 +/- 0.62  11.986% *  0.5018% (0.04   1.0  1.00   2.87  17.23) =   0.133%  kept
        T HA    VAL   70 - QG    GLN   17   9.57 +/- 4.74   5.006% *  0.1769% (0.19   1.0 10.00   0.02   0.02) =   0.020%
          HB2   SER   37 - HB    VAL   70  10.88 +/- 3.11  10.464% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.011%
          HA    VAL   18 - HB    VAL   70   8.65 +/- 5.64   6.031% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.009%
          HA    GLN  116 - HB    VAL   70  14.55 +/- 3.84   0.806% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - HB    VAL   70  22.74 +/- 3.08   0.114% *  0.5775% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70  10.67 +/- 6.08   3.289% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - HB    VAL   70  19.63 +/- 3.53   0.228% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   SER   82 - QG    GLN   17  23.96 +/- 7.18   0.360% *  0.1073% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  14.39 +/- 2.45   0.443% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   70  16.75 +/- 2.06   0.262% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  11.83 +/- 3.04   1.600% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  13.44 +/- 3.28   0.749% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  14.58 +/- 3.75   0.849% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  21.99 +/- 6.08   0.217% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.50 +/- 2.67   0.221% *  0.0177% (0.19   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 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 = 5.15, residual support = 78.7:
    * O T QG1   VAL   70 - HB    VAL   70   2.12 +/- 0.01  61.895% * 77.3301% (1.00  10.0 10.00   5.15  79.28) =  98.615%  kept
          QD1   LEU   71 - HB    VAL   70   6.47 +/- 0.79   2.733% * 19.1310% (0.92   1.0  1.00   5.36  34.20) =   1.077%  kept
          QG1   VAL   18 - QG    GLN   17   5.40 +/- 0.54   4.131% *  3.1140% (0.18   1.0  1.00   4.42  49.73) =   0.265%  kept
        T QG1   VAL   70 - QG    GLN   17   8.44 +/- 3.85   6.277% *  0.1436% (0.19   1.0 10.00   0.02   0.02) =   0.019%
          HB3   LEU   63 - HB    VAL   70   5.63 +/- 2.35  13.178% *  0.0438% (0.57   1.0  1.00   0.02   0.02) =   0.012%
          QG1   VAL   18 - HB    VAL   70   7.94 +/- 5.03   4.788% *  0.0758% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU  123 - HB    VAL   70  10.65 +/- 4.44   2.409% *  0.0714% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - QG    GLN   17   8.30 +/- 4.42   2.921% *  0.0133% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  15.26 +/- 4.85   0.562% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG    GLN   17  11.53 +/- 2.86   0.625% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.29 +/- 2.86   0.349% *  0.0133% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.22 +/- 4.26   0.132% *  0.0087% (0.11   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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 79.3:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  95.063% * 99.8146% (0.80  10.0 10.00   4.30  79.28) =  99.990%  kept
        T QG2   VAL   70 - QG    GLN   17   8.56 +/- 3.14   4.937% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.010%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.76, residual support = 79.2:
    * O T HA    VAL   70 - QG1   VAL   70   2.68 +/- 0.27  73.799% * 98.1637% (1.00  10.0 10.00   4.77  79.28) =  99.893%  kept
        T HA    VAL   18 - QG1   VAL   70   8.43 +/- 4.30   9.998% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.093%
          HB2   SER   37 - QG1   VAL   70   9.48 +/- 2.66   6.252% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN  116 - QG1   VAL   70  11.76 +/- 3.53   2.295% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   SER   82 - QG1   VAL   70  19.75 +/- 2.64   0.241% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG1   VAL   70  16.81 +/- 3.26   0.504% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   9.17 +/- 4.99   5.193% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   70  12.63 +/- 2.44   1.128% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  15.01 +/- 2.05   0.591% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 79.2:
    * O T HB    VAL   70 - QG1   VAL   70   2.12 +/- 0.01  87.013% * 98.7774% (1.00  10.0 10.00   5.15  79.28) =  99.897%  kept
        T QG    GLN   17 - QG1   VAL   70   8.44 +/- 3.85   8.916% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.101%  kept
          HB2   MET   96 - QG1   VAL   70  11.00 +/- 2.13   0.862% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - QG1   VAL   70  10.35 +/- 2.39   1.887% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70  13.69 +/- 5.08   0.758% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.17 +/- 1.78   0.157% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  13.55 +/- 1.60   0.407% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 79.3:
    * O T QG2   VAL   70 - QG1   VAL   70   2.04 +/- 0.06 100.000% *100.0000% (0.80  10.0 10.00   4.77  79.28) = 100.000%  kept
    Distance limit 2.66 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 = 79.1:
    * O T HA    VAL   70 - QG2   VAL   70   2.29 +/- 0.34  72.500% * 97.1767% (0.80  10.0 10.00   4.00  79.28) =  99.809%  kept
          HA    VAL   18 - QG2   VAL   70   7.33 +/- 4.08   7.354% *  1.6730% (0.55   1.0  1.00   0.50   0.02) =   0.174%  kept
          HB2   SER   37 - QG2   VAL   70   8.38 +/- 2.41  14.141% *  0.0473% (0.39   1.0  1.00   0.02   0.02) =   0.009%
          HA    GLN  116 - QG2   VAL   70  11.58 +/- 3.06   1.690% *  0.0972% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - QG2   VAL   70  18.83 +/- 2.76   0.196% *  0.5894% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   70  11.28 +/- 1.73   1.003% *  0.0843% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG2   VAL   70  16.43 +/- 2.50   0.258% *  0.2423% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70   9.14 +/- 4.45   2.322% *  0.0192% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  13.26 +/- 1.54   0.536% *  0.0706% (0.58   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 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 4.3, residual support = 79.2:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  90.444% * 98.7774% (0.80  10.0 10.00   4.30  79.28) =  99.946%  kept
        T QG    GLN   17 - QG2   VAL   70   8.56 +/- 3.14   4.698% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.051%
          HB2   MET   96 - QG2   VAL   70   9.49 +/- 2.34   1.647% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - QG2   VAL   70   9.57 +/- 1.82   1.706% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70  12.68 +/- 4.87   0.860% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.44 +/- 1.20   0.206% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  12.74 +/- 0.85   0.439% *  0.0246% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 4.78, residual support = 78.1:
    * O T QG1   VAL   70 - QG2   VAL   70   2.04 +/- 0.06  67.297% * 77.4806% (0.80  10.0 10.00   4.77  79.28) =  97.590%  kept
          QD1   LEU   71 - QG2   VAL   70   5.28 +/- 0.84   5.685% * 20.4811% (0.74   1.0  1.00   5.73  34.20) =   2.179%  kept
          QG1   VAL   18 - QG2   VAL   70   6.67 +/- 3.72   6.047% *  1.8759% (0.78   1.0  1.00   0.49   0.02) =   0.212%  kept
          HB3   LEU   63 - QG2   VAL   70   5.01 +/- 1.61  15.363% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.013%
          QD1   LEU  123 - QG2   VAL   70   8.70 +/- 3.36   2.442% *  0.0715% (0.74   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - QG2   VAL   70  11.15 +/- 4.16   3.167% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.81 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 = 137.8:
    * O T HB2   LEU   71 - HA    LEU   71   2.77 +/- 0.28  71.188% * 99.5520% (1.00  10.0 10.00   5.31 137.85) =  99.969%  kept
          QB    LYS+  65 - HA    LEU   71   9.86 +/- 2.61  12.861% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.018%
          HB3   GLN   17 - HA    LEU   71   9.42 +/- 6.98   8.107% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - HA    LEU   71   9.63 +/- 1.63   2.575% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    LEU   71   9.03 +/- 2.46   3.703% *  0.0340% (0.34   1.0  1.00   0.02   0.76) =   0.002%
          QB    LYS+ 102 - HA    LEU   71  17.29 +/- 4.28   0.614% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  18.01 +/- 3.02   0.422% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  16.16 +/- 3.52   0.530% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.32 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 = 137.9:
    * O T HB3   LEU   71 - HA    LEU   71   2.41 +/- 0.18  98.700% * 99.6783% (1.00  10.0 10.00   4.31 137.85) =  99.999%  kept
          QG2   THR   94 - HA    LEU   71  14.09 +/- 1.37   0.544% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  21.28 +/- 3.49   0.202% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  21.10 +/- 2.67   0.191% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.55 +/- 2.96   0.184% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  22.70 +/- 3.40   0.180% *  0.0374% (0.38   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 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 4.11, residual support = 128.1:
    *   T QD1   LEU   71 - HA    LEU   71   3.84 +/- 0.27  46.094% * 81.5239% (1.00 10.00   4.05 137.85) =  90.646%  kept
          QG1   VAL   70 - HA    LEU   71   5.29 +/- 0.58  21.122% * 17.9910% (0.92  1.00   4.78  34.20) =   9.167%  kept
          QG1   VAL   18 - HA    LEU   71   7.57 +/- 5.85  23.831% *  0.3077% (0.84  1.00   0.09   0.02) =   0.177%  kept
          QD1   LEU  123 - HA    LEU   71  12.77 +/- 3.42   2.584% *  0.0815% (1.00  1.00   0.02   0.02) =   0.005%
          HB3   LEU   63 - HA    LEU   71   8.79 +/- 1.74   5.352% *  0.0278% (0.34  1.00   0.02   0.02) =   0.004%
          HB3   LEU  104 - HA    LEU   71  17.19 +/- 4.58   1.018% *  0.0681% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 4.10 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 = 0.994, support = 4.95, residual support = 136.3:
    *   T QD2   LEU   71 - HA    LEU   71   2.69 +/- 0.58  55.943% * 93.9674% (1.00 10.00   5.00 137.85) =  98.896%  kept
          QD1   LEU   67 - HA    LEU   71   5.32 +/- 2.10  25.909% *  1.6777% (0.45  1.00   0.80   0.02) =   0.818%  kept
          HG3   LYS+  74 - HA    LEU   71  10.05 +/- 1.96   2.387% *  3.6700% (0.69  1.00   1.14   0.66) =   0.165%  kept
          QD2   LEU   40 - HA    LEU   71   7.28 +/- 1.54  13.764% *  0.4581% (0.41  1.00   0.24   1.60) =   0.119%  kept
          QG2   ILE  119 - HA    LEU   71  12.96 +/- 2.81   1.105% *  0.0815% (0.87  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LEU   71  14.66 +/- 3.10   0.506% *  0.0921% (0.98  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  14.84 +/- 2.49   0.385% *  0.0532% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.37 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 = 137.9:
    * O T HA    LEU   71 - HB2   LEU   71   2.77 +/- 0.28  94.897% * 99.9402% (1.00  10.0 10.00   5.31 137.85) =  99.998%  kept
          HA    ALA   20 - HB2   LEU   71  12.07 +/- 3.89   2.439% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB2   LEU   71  11.17 +/- 2.55   2.665% *  0.0223% (0.22   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 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 = 137.9:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.588% * 99.6783% (1.00  10.0 10.00   4.97 137.85) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  15.07 +/- 1.87   0.195% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  22.86 +/- 3.76   0.060% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  22.66 +/- 2.99   0.057% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  24.18 +/- 3.96   0.056% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.85 +/- 2.92   0.044% *  0.0447% (0.45   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 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 4.98, residual support = 136.6:
    * O T QD1   LEU   71 - HB2   LEU   71   2.26 +/- 0.17  87.277% * 79.7296% (1.00  10.0 10.00   4.97 137.85) =  98.773%  kept
          QG1   VAL   70 - HB2   LEU   71   6.28 +/- 0.42   4.268% * 19.7960% (0.92   1.0  1.00   5.38  34.20) =   1.199%  kept
          QG1   VAL   18 - HB2   LEU   71   8.89 +/- 5.04   6.151% *  0.3009% (0.84   1.0  1.00   0.09   0.02) =   0.026%
          QD1   LEU  123 - HB2   LEU   71  13.48 +/- 3.59   0.904% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU   71  17.13 +/- 4.94   0.408% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.72 +/- 1.40   0.991% *  0.0272% (0.34   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 5.41, residual support = 137.2:
    * O T QD2   LEU   71 - HB2   LEU   71   3.10 +/- 0.23  68.848% * 97.4820% (1.00  10.0 10.00   5.43 137.85) =  99.546%  kept
          QD1   LEU   67 - HB2   LEU   71   7.07 +/- 1.84  14.047% *  1.7404% (0.45   1.0  1.00   0.80   0.02) =   0.363%  kept
          QD2   LEU   40 - HB2   LEU   71   7.20 +/- 1.92  12.120% *  0.4752% (0.41   1.0  1.00   0.24   1.60) =   0.085%
          HG3   LYS+  74 - HB2   LEU   71  12.17 +/- 2.18   1.953% *  0.0670% (0.69   1.0  1.00   0.02   0.66) =   0.002%
          QD1   ILE  103 - HB2   LEU   71  14.63 +/- 3.63   1.087% *  0.0956% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HB2   LEU   71  13.91 +/- 2.88   1.107% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LEU   71  14.92 +/- 2.89   0.839% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 137.9:
    * O T HA    LEU   71 - HB3   LEU   71   2.41 +/- 0.18  96.948% * 99.9402% (1.00  10.0 10.00   4.31 137.85) =  99.999%  kept
          HA    ALA   20 - HB3   LEU   71  11.67 +/- 4.26   1.581% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   43 - HB3   LEU   71  11.39 +/- 2.39   1.471% *  0.0223% (0.22   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 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 137.8:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  92.436% * 99.3538% (1.00  10.0 10.00   4.97 137.85) =  99.994%  kept
          QB    LYS+  65 - HB3   LEU   71  11.42 +/- 2.97   3.161% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - HB3   LEU   71   9.67 +/- 6.98   2.537% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HB3   LEU   71   9.43 +/- 2.74   0.957% *  0.0339% (0.34   1.0  1.00   0.02   0.76) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  16.89 +/- 3.89   0.146% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.16 +/- 1.68   0.464% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  17.51 +/- 4.70   0.187% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  19.81 +/- 3.24   0.111% *  0.0796% (0.80   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 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 = 3.75, residual support = 136.2:
    * O T QD1   LEU   71 - HB3   LEU   71   2.57 +/- 0.34  82.053% * 81.4902% (1.00  10.0 10.00   3.73 137.85) =  98.405%  kept
          QG1   VAL   70 - HB3   LEU   71   6.54 +/- 0.55   5.846% * 18.0249% (0.92   1.0  1.00   4.79  34.20) =   1.551%  kept
          QG1   VAL   18 - HB3   LEU   71   8.69 +/- 5.34   9.394% *  0.3075% (0.84   1.0  1.00   0.09   0.02) =   0.043%
          QD1   LEU  123 - HB3   LEU   71  13.70 +/- 3.67   0.923% *  0.0815% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU   71  10.79 +/- 1.66   1.393% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU   71  18.02 +/- 4.65   0.391% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 4.42, residual support = 137.5:
    * O T QD2   LEU   71 - HB3   LEU   71   2.53 +/- 0.31  78.777% * 97.9081% (1.00  10.0 10.00   4.43 137.85) =  99.774%  kept
          QD1   LEU   67 - HB3   LEU   71   7.02 +/- 2.00   9.672% *  1.7481% (0.45   1.0  1.00   0.80   0.02) =   0.219%  kept
          QD2   LEU   40 - HB3   LEU   71   7.85 +/- 1.82   7.851% *  0.0403% (0.41   1.0  1.00   0.02   1.60) =   0.004%
          HG3   LYS+  74 - HB3   LEU   71  11.61 +/- 2.07   1.777% *  0.0673% (0.69   1.0  1.00   0.02   0.66) =   0.002%
          QG2   ILE  119 - HB3   LEU   71  14.12 +/- 3.06   0.901% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB3   LEU   71  15.26 +/- 3.44   0.570% *  0.0960% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB3   LEU   71  15.58 +/- 2.69   0.453% *  0.0554% (0.57   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 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.05, residual support = 137.8:
    *   T HA    LEU   71 - QD1   LEU   71   3.84 +/- 0.27  85.256% * 99.9402% (1.00 10.00   4.05 137.85) =  99.995%  kept
          HA    ALA   20 - QD1   LEU   71  11.27 +/- 2.74   7.280% *  0.0375% (0.38  1.00   0.02   0.02) =   0.003%
          HA    VAL   43 - QD1   LEU   71  10.81 +/- 2.09   7.465% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 137.8:
    * O T HB2   LEU   71 - QD1   LEU   71   2.26 +/- 0.17  84.914% * 99.5520% (1.00  10.0 10.00   4.97 137.85) =  99.988%  kept
          HB3   GLN   17 - QD1   LEU   71   8.95 +/- 5.14   5.577% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - QD1   LEU   71  10.64 +/- 2.48   3.128% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - QD1   LEU   71   8.45 +/- 2.33   3.367% *  0.0340% (0.34   1.0  1.00   0.02   0.76) =   0.001%
          QB    LYS+ 102 - QD1   LEU   71  14.54 +/- 4.20   0.853% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU   71  10.08 +/- 1.58   1.241% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD1   LEU   71  17.55 +/- 2.94   0.367% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  14.47 +/- 3.31   0.553% *  0.0222% (0.22   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 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 137.9:
    * O T HB3   LEU   71 - QD1   LEU   71   2.57 +/- 0.34  97.930% * 99.6783% (1.00  10.0 10.00   3.73 137.85) =  99.999%  kept
          QG2   THR   94 - QD1   LEU   71  13.64 +/- 1.70   1.040% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   LEU   71  19.63 +/- 3.42   0.301% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  19.52 +/- 2.59   0.276% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.51 +/- 2.50   0.225% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  21.56 +/- 3.25   0.228% *  0.0374% (0.38   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 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 = 4.16, residual support = 137.6:
    * O T QD2   LEU   71 - QD1   LEU   71   2.04 +/- 0.07  84.740% * 97.8438% (1.00  10.0 10.00   4.17 137.85) =  99.848%  kept
          QD2   LEU   40 - QD1   LEU   71   6.53 +/- 1.77   6.698% *  1.8089% (0.41   1.0  1.00   0.90   1.60) =   0.146%  kept
          HG3   LYS+  74 - QD1   LEU   71  11.48 +/- 2.33   2.807% *  0.0672% (0.69   1.0  1.00   0.02   0.66) =   0.002%
          QD1   LEU   67 - QD1   LEU   71   6.80 +/- 1.56   3.902% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - QD1   LEU   71  11.77 +/- 2.62   0.825% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   LEU   71  13.11 +/- 2.94   0.610% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD1   LEU   71  13.23 +/- 2.30   0.417% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 137.8:
    *   T HA    LEU   71 - QD2   LEU   71   2.69 +/- 0.58  92.090% * 99.9402% (1.00 10.00   5.00 137.85) =  99.997%  kept
          HA    ALA   20 - QD2   LEU   71  10.28 +/- 3.21   3.801% *  0.0375% (0.38  1.00   0.02   0.02) =   0.002%
          HA    VAL   43 - QD2   LEU   71   9.50 +/- 1.61   4.109% *  0.0223% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 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 = 0.999, support = 5.43, residual support = 137.7:
    * O T HB2   LEU   71 - QD2   LEU   71   3.10 +/- 0.23  57.003% * 99.1613% (1.00  10.0 10.00   5.43 137.85) =  99.915%  kept
          QB    LYS+  65 - QD2   LEU   71   9.02 +/- 2.75  18.638% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.033%
          HB    VAL   41 - QD2   LEU   71   7.96 +/- 2.06   7.773% *  0.2275% (0.34   1.0  1.00   0.13   0.76) =   0.031%
          HB3   GLN   17 - QD2   LEU   71   8.87 +/- 5.01   9.441% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.011%
          QB    LYS+  66 - QD2   LEU   71   8.67 +/- 1.85   4.041% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HG12  ILE  103 - QD2   LEU   71  13.97 +/- 2.56   0.904% *  0.2208% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+ 102 - QD2   LEU   71  14.51 +/- 3.47   1.132% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QD2   LEU   71  16.00 +/- 3.12   1.068% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.60 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 = 137.8:
    * O T HB3   LEU   71 - QD2   LEU   71   2.53 +/- 0.31  97.021% * 99.2790% (1.00  10.0 10.00   4.43 137.85) =  99.997%  kept
        T HG3   LYS+ 111 - QD2   LEU   71  20.16 +/- 2.78   0.309% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - QD2   LEU   71  12.60 +/- 1.27   1.335% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD2   LEU   71  18.15 +/- 3.41   0.535% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD2   LEU   71  18.06 +/- 2.64   0.550% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  20.22 +/- 2.77   0.249% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.18, residual support = 135.7:
    * O T QD1   LEU   71 - QD2   LEU   71   2.04 +/- 0.07  83.805% * 81.4998% (1.00  10.0 10.00   4.17 137.85) =  97.946%  kept
          QG1   VAL   70 - QD2   LEU   71   5.06 +/- 1.12   7.868% * 18.0153% (0.92   1.0  1.00   4.79  34.20) =   2.033%  kept
          QG1   VAL   18 - QD2   LEU   71   7.60 +/- 3.92   4.069% *  0.3076% (0.84   1.0  1.00   0.09   0.02) =   0.018%
          QD1   LEU  123 - QD2   LEU   71  10.43 +/- 3.42   2.109% *  0.0815% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QD2   LEU   71   8.28 +/- 1.55   1.779% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU   71  14.40 +/- 3.48   0.370% *  0.0681% (0.84   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 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.0, residual support = 90.1:
    * O T HB2   PHE   72 - HA    PHE   72   2.54 +/- 0.10  92.411% * 93.4342% (0.64  10.0 10.00   4.01  90.35) =  99.519%  kept
          HA    ALA   64 - HA    PHE   72   7.00 +/- 1.05   6.390% *  6.5238% (0.55   1.0  1.00   1.61  47.83) =   0.480%  kept
          HB3   ASN   69 - HA    PHE   72  10.99 +/- 0.64   1.199% *  0.0420% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.23 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 = 4.56, residual support = 90.3:
    * O T HB3   PHE   72 - HA    PHE   72   2.54 +/- 0.10  87.319% * 99.4196% (0.66  10.0 10.00   4.56  90.35) =  99.986%  kept
          HB2   ASP-  44 - HA    PHE   72   9.38 +/- 2.05   7.334% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU-  15 - HA    PHE   72  12.46 +/- 4.88   1.507% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - HA    PHE   72  13.10 +/- 4.13   1.367% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    PHE   72  14.40 +/- 3.22   1.024% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    MET   11 - HA    PHE   72  19.35 +/- 2.41   0.234% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.12 +/- 2.03   1.024% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  20.72 +/- 2.37   0.190% *  0.0918% (0.61   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 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.01, residual support = 90.3:
    * O T HA    PHE   72 - HB2   PHE   72   2.54 +/- 0.10 100.000% *100.0000% (0.64  10.0 10.00   4.01  90.35) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.25, residual support = 90.3:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  96.673% * 99.4196% (0.72  10.0 10.00   4.25  90.35) =  99.997%  kept
          HB2   ASP-  44 - HB2   PHE   72   7.89 +/- 1.69   1.625% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HB2   PHE   72  13.35 +/- 3.79   0.344% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  13.93 +/- 3.22   0.369% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  13.35 +/- 3.41   0.543% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  19.56 +/- 2.39   0.084% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  20.23 +/- 2.35   0.077% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  12.71 +/- 1.39   0.286% *  0.0177% (0.13   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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.56, residual support = 90.3:
    * O T HA    PHE   72 - HB3   PHE   72   2.54 +/- 0.10 100.000% *100.0000% (0.66  10.0 10.00   4.56  90.35) = 100.000%  kept
    Distance limit 3.72 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 = 4.24, residual support = 90.0:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  93.693% * 88.1039% (0.72  10.0 10.00   4.25  90.35) =  99.181%  kept
          HA    ALA   64 - HB3   PHE   72   5.87 +/- 1.32   5.746% * 11.8565% (0.63   1.0  1.00   3.10  47.83) =   0.819%  kept
          HB3   ASN   69 - HB3   PHE   72   9.97 +/- 0.89   0.561% *  0.0396% (0.33   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 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 = 173.3:
    * O T HB2   LEU   73 - HA    LEU   73   2.39 +/- 0.15  93.156% * 99.4108% (1.00  10.0 10.00   5.00 173.26) =  99.995%  kept
          HG3   PRO   93 - HA    LEU   73  14.92 +/- 3.76   2.509% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    LEU   73  16.57 +/- 3.23   0.805% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LEU   73  15.92 +/- 3.62   0.639% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LEU   73  16.17 +/- 4.14   0.463% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.33 +/- 3.11   1.293% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.86 +/- 4.54   0.206% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  19.06 +/- 2.60   0.230% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.79 +/- 3.56   0.266% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  16.87 +/- 4.58   0.432% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.994, support = 5.22, residual support = 171.6:
    * O T HB3   LEU   73 - HA    LEU   73   2.58 +/- 0.25  68.585% * 92.0619% (1.00  10.0 10.00   5.25 173.26) =  98.846%  kept
          HB3   LYS+  74 - HA    LEU   73   4.78 +/- 0.42  12.757% *  3.5382% (0.18   1.0  1.00   4.39  42.84) =   0.707%  kept
          HB    VAL   42 - HA    LEU   73   8.00 +/- 2.87   7.472% *  3.7394% (0.99   1.0  1.00   0.82   1.04) =   0.437%  kept
          HG3   LYS+  65 - HA    LEU   73  11.07 +/- 2.23   2.997% *  0.0912% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HA    LEU   73  11.73 +/- 2.64   1.352% *  0.0888% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    LEU   73  13.30 +/- 3.38   2.429% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LEU   73  16.84 +/- 3.76   0.664% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LEU   73  12.22 +/- 3.66   0.966% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    LEU   73  16.84 +/- 4.10   0.323% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  19.72 +/- 3.97   0.229% *  0.0902% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  13.31 +/- 3.54   0.721% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  20.72 +/- 4.26   0.162% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  15.40 +/- 1.79   0.385% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.38 +/- 4.58   0.735% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  18.62 +/- 2.52   0.223% *  0.0161% (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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.15, residual support = 169.0:
    *   T QD1   LEU   73 - HA    LEU   73   3.91 +/- 0.26  67.542% * 85.7815% (1.00 10.00   5.27 173.26) =  97.525%  kept
        T QD1   LEU   63 - HA    LEU   73   9.24 +/- 1.90  10.761% * 12.8386% (1.00 10.00   0.30   0.13) =   2.326%  kept
          QD2   LEU   63 - HA    LEU   73   9.25 +/- 1.76   9.330% *  0.7388% (0.57  1.00   0.30   0.13) =   0.116%  kept
        T QD1   LEU  104 - HA    LEU   73  14.50 +/- 4.15   3.150% *  0.4857% (0.57 10.00   0.02   0.02) =   0.026%
          QD2   LEU   80 - HA    LEU   73  12.00 +/- 2.65   3.606% *  0.0687% (0.80  1.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HA    LEU   73  13.75 +/- 2.59   2.001% *  0.0717% (0.84  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU   73  13.29 +/- 3.66   3.609% *  0.0150% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.19, residual support = 173.0:
    *   T QD2   LEU   73 - HA    LEU   73   3.09 +/- 0.49  70.729% * 98.9000% (1.00 10.00   6.20 173.26) =  99.861%  kept
          QG1   VAL   43 - HA    LEU   73   7.38 +/- 2.65  15.947% *  0.5341% (0.28  1.00   0.39   6.40) =   0.122%  kept
        T HG3   LYS+ 121 - HA    LEU   73  18.81 +/- 4.05   1.174% *  0.3374% (0.34 10.00   0.02   0.02) =   0.006%
          HG    LEU   31 - HA    LEU   73  10.31 +/- 2.37   3.239% *  0.0954% (0.97  1.00   0.02   1.60) =   0.004%
          QG1   VAL   41 - HA    LEU   73   8.23 +/- 2.34   6.818% *  0.0443% (0.45  1.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HA    LEU   73  13.01 +/- 2.83   2.093% *  0.0887% (0.90  1.00   0.02   0.02) =   0.003%
    Distance limit 3.02 A violated in 0 structures by 0.22 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 173.3:
    * O T HA    LEU   73 - HB2   LEU   73   2.39 +/- 0.15 100.000% *100.0000% (1.00  10.0 10.00   5.00 173.26) = 100.000%  kept
    Distance limit 4.28 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 = 0.998, support = 5.24, residual support = 173.0:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  89.728% * 92.1757% (1.00  10.0 10.00   5.25 173.26) =  99.814%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.39 +/- 0.72   3.707% *  3.5439% (0.18   1.0  1.00   4.39  42.84) =   0.159%  kept
        T HB3   PRO   93 - HB2   LEU   73  13.30 +/- 3.97   2.309% *  0.3459% (0.38   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+  33 - HB2   LEU   73  11.85 +/- 3.27   0.662% *  0.8896% (0.97   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  65 - HB2   LEU   73  11.76 +/- 2.38   0.557% *  0.9136% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 106 - HB2   LEU   73  17.06 +/- 4.14   0.148% *  0.8509% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HB2   LEU   73   9.18 +/- 2.77   1.279% *  0.0914% (0.99   1.0  1.00   0.02   1.04) =   0.001%
        T HG3   LYS+ 102 - HB2   LEU   73  20.93 +/- 4.12   0.063% *  0.9197% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HB2   LEU   73  19.96 +/- 4.68   0.148% *  0.0904% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  12.53 +/- 3.39   0.356% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  17.36 +/- 3.26   0.201% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  13.60 +/- 3.47   0.295% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  15.02 +/- 1.97   0.176% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  18.99 +/- 5.10   0.286% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.35 +/- 2.78   0.084% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 172.2:
    * O T QD1   LEU   73 - HB2   LEU   73   2.51 +/- 0.36  86.643% * 86.3777% (1.00  10.0 10.00   5.26 173.26) =  99.397%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.16 +/- 1.90   3.441% * 12.9279% (1.00   1.0 10.00   0.30   0.13) =   0.591%  kept
        T QD1   LEU  104 - HB2   LEU   73  14.90 +/- 4.18   0.993% *  0.4890% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB2   LEU   73  10.33 +/- 1.84   2.836% *  0.0489% (0.57   1.0  1.00   0.02   0.13) =   0.002%
          QD2   LEU   80 - HB2   LEU   73  11.61 +/- 3.17   1.986% *  0.0692% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   LEU   73  14.01 +/- 3.38   1.725% *  0.0721% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   LEU   73  12.92 +/- 3.91   2.376% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.18, residual support = 172.5:
    * O T QD2   LEU   73 - HB2   LEU   73   2.93 +/- 0.27  76.049% * 95.5846% (1.00  10.0 10.00   6.20 173.26) =  99.521%  kept
          QG1   VAL   43 - HB2   LEU   73   7.63 +/- 2.84  10.378% *  3.0970% (0.28   1.0  1.00   2.33   6.40) =   0.440%  kept
        T QD1   ILE   56 - HB2   LEU   73  13.15 +/- 3.50   2.239% *  0.8572% (0.90   1.0 10.00   0.02   0.02) =   0.026%
          HG    LEU   31 - HB2   LEU   73   9.61 +/- 3.04   5.021% *  0.0922% (0.97   1.0  1.00   0.02   1.60) =   0.006%
          QG1   VAL   41 - HB2   LEU   73   8.94 +/- 2.58   5.665% *  0.0429% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB2   LEU   73  19.46 +/- 4.60   0.649% *  0.3260% (0.34   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.38 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 = 5.25, residual support = 173.3:
    * O T HA    LEU   73 - HB3   LEU   73   2.58 +/- 0.25 100.000% *100.0000% (1.00  10.0 10.00   5.25 173.26) = 100.000%  kept
    Distance limit 3.90 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 = 5.25, residual support = 173.3:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  94.757% * 98.2609% (1.00  10.0 10.00   5.25 173.26) =  99.995%  kept
          HG3   PRO   93 - HB3   LEU   73  14.69 +/- 4.14   3.028% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HB3   LEU   73  16.12 +/- 3.56   0.708% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU   73  22.60 +/- 4.90   0.074% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU   73  18.23 +/- 3.49   0.107% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  15.30 +/- 3.73   0.266% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.34 +/- 3.60   0.632% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  16.02 +/- 3.79   0.166% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  19.62 +/- 2.95   0.094% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  16.59 +/- 4.25   0.169% *  0.0219% (0.22   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 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 = 5.44, residual support = 172.7:
    * O T QD1   LEU   73 - HB3   LEU   73   2.30 +/- 0.26  89.698% * 85.8434% (1.00  10.0 10.00   5.46 173.26) =  99.692%  kept
        T QD1   LEU   63 - HB3   LEU   73   9.85 +/- 1.86   1.702% * 12.8479% (1.00   1.0 10.00   0.30   0.13) =   0.283%  kept
        T QD2   LEU   80 - HB3   LEU   73  11.69 +/- 3.31   1.696% *  0.6874% (0.80   1.0 10.00   0.02   0.02) =   0.015%
        T QD1   LEU  104 - HB3   LEU   73  14.23 +/- 4.25   1.205% *  0.4860% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   63 - HB3   LEU   73  10.08 +/- 1.69   1.414% *  0.0486% (0.57   1.0  1.00   0.02   0.13) =   0.001%
          QD2   LEU  115 - HB3   LEU   73  13.71 +/- 3.39   0.821% *  0.0717% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   73  12.87 +/- 4.13   3.464% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.34 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 = 0.993, support = 6.61, residual support = 171.6:
    * O T QD2   LEU   73 - HB3   LEU   73   2.86 +/- 0.32  72.290% * 94.5969% (1.00  10.0 10.00   6.67 173.26) =  98.996%  kept
        T QG1   VAL   43 - HB3   LEU   73   6.94 +/- 2.96  13.956% *  4.8618% (0.28   1.0 10.00   0.37   6.40) =   0.982%  kept
        T HG3   LYS+ 121 - HB3   LEU   73  18.98 +/- 4.78   2.050% *  0.3227% (0.34   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   31 - HB3   LEU   73   9.14 +/- 3.14   4.551% *  0.0913% (0.97   1.0  1.00   0.02   1.60) =   0.006%
          QG1   VAL   41 - HB3   LEU   73   8.38 +/- 2.30   4.784% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   LEU   73  12.92 +/- 3.40   2.369% *  0.0848% (0.90   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.36 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 = 5.15, residual support = 168.9:
    *   T HA    LEU   73 - QD1   LEU   73   3.91 +/- 0.26  82.170% * 86.7969% (1.00 10.00   5.27 173.26) =  97.501%  kept
        T HA    LEU   73 - QD1   LEU   63   9.24 +/- 1.90  14.008% * 12.9906% (1.00 10.00   0.30   0.13) =   2.488%  kept
        T HA    LEU   73 - QD1   LEU  104  14.50 +/- 4.15   3.822% *  0.2125% (0.24 10.00   0.02   0.02) =   0.011%
    Distance limit 5.07 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 = 0.951, support = 5.05, residual support = 163.8:
    * O T HB2   LEU   73 - QD1   LEU   73   2.51 +/- 0.36  27.365% * 80.6150% (1.00  10.0 10.00   5.26 173.26) =  93.978%  kept
        T HB3   LYS+  99 - QD1   LEU  104   3.29 +/- 1.67  21.484% *  4.3932% (0.05   1.0 10.00   2.01  18.85) =   4.021%  kept
          QD    LYS+  99 - QD1   LEU  104   3.48 +/- 1.66  18.603% *  1.6791% (0.23   1.0  1.00   1.84  18.85) =   1.331%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.16 +/- 1.90   1.213% * 12.0654% (1.00   1.0 10.00   0.30   0.13) =   0.624%  kept
          HG3   PRO   93 - QD1   LEU   63  10.24 +/- 3.32   7.075% *  0.0489% (0.61   1.0  1.00   0.02   0.02) =   0.015%
          HG3   PRO   93 - QD1   LEU   73  12.92 +/- 3.60   3.135% *  0.0489% (0.61   1.0  1.00   0.02   0.02) =   0.007%
          QG1   ILE   56 - QD1   LEU   63   6.45 +/- 1.81   3.331% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU   73 - QD1   LEU  104  14.90 +/- 4.18   0.360% *  0.1973% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 102 - QD1   LEU  104   6.68 +/- 1.60   7.965% *  0.0081% (0.10   1.0  1.00   0.02   0.27) =   0.003%
          HB2   LEU  123 - QD1   LEU   63   9.55 +/- 3.10   1.129% *  0.0522% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - QD1   LEU   63  11.34 +/- 2.46   0.497% *  0.0763% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   73  12.80 +/- 3.24   0.442% *  0.0763% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD1   LEU   73  11.88 +/- 3.28   1.314% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   63  12.34 +/- 3.12   0.409% *  0.0778% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   63  12.19 +/- 2.99   0.405% *  0.0744% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  13.17 +/- 3.25   0.322% *  0.0744% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   73  14.02 +/- 2.70   0.290% *  0.0778% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   8.39 +/- 0.92   0.962% *  0.0187% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  14.33 +/- 2.91   0.247% *  0.0723% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD1   LEU   73  17.09 +/- 3.26   0.239% *  0.0522% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU   63  15.24 +/- 2.80   0.283% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  19.38 +/- 4.26   0.114% *  0.0723% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  12.85 +/- 3.46   0.427% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  16.38 +/- 3.93   0.423% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  15.06 +/- 5.90   0.557% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  14.84 +/- 3.23   0.213% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  13.61 +/- 3.74   0.347% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.52 +/- 1.92   0.174% *  0.0190% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.40 +/- 2.22   0.454% *  0.0061% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.05 +/- 2.06   0.220% *  0.0120% (0.15   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 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.996, support = 5.41, residual support = 171.1:
    * O T HB3   LEU   73 - QD1   LEU   73   2.30 +/- 0.26  41.153% * 78.1396% (1.00  10.0 10.00   5.46 173.26) =  98.684%  kept
          HB    VAL   42 - QD1   LEU   73   7.71 +/- 2.60   3.800% *  4.5715% (0.99   1.0  1.00   1.18   1.04) =   0.533%  kept
          HB3   LYS+  74 - QD1   LEU   73   5.98 +/- 0.76   3.473% *  2.9655% (0.18   1.0  1.00   4.33  42.84) =   0.316%  kept
        T HB3   LEU   73 - QD1   LEU   63   9.85 +/- 1.86   0.775% * 11.6949% (1.00   1.0 10.00   0.30   0.13) =   0.278%  kept
          QB    LEU   98 - QD1   LEU  104   5.55 +/- 0.75   4.032% *  1.0725% (0.09   1.0  1.00   2.99   9.41) =   0.133%  kept
          HB    VAL   42 - QD1   LEU   63   5.69 +/- 2.38   8.279% *  0.0774% (0.99   1.0  1.00   0.02   0.02) =   0.020%
          HB3   PRO   93 - QD1   LEU   73  11.60 +/- 3.19   6.137% *  0.0293% (0.38   1.0  1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - QD1   LEU   63   8.80 +/- 3.01   3.672% *  0.0293% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - QD1   LEU   73   9.03 +/- 2.60   1.357% *  0.0754% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   LEU   73 - QD1   LEU  104  14.23 +/- 4.25   0.534% *  0.1913% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QD1   LEU   63   8.36 +/- 0.96   1.052% *  0.0774% (0.99   1.0  1.00   0.02   3.59) =   0.003%
          HB    VAL   42 - QD1   LEU  104   9.30 +/- 3.29   4.006% *  0.0190% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD1   LEU   63  10.77 +/- 2.05   0.739% *  0.0766% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD1   LEU   73  11.05 +/- 2.15   0.660% *  0.0774% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   63  11.72 +/- 3.15   0.634% *  0.0721% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  13.80 +/- 3.08   0.533% *  0.0754% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU  104   7.43 +/- 1.61   2.009% *  0.0191% (0.24   1.0  1.00   0.02   0.27) =   0.001%
          QB    LEU   98 - QD1   LEU   73   9.59 +/- 3.02   0.952% *  0.0293% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   73  13.56 +/- 3.59   0.323% *  0.0721% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.80 +/- 0.84   1.249% *  0.0177% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  10.57 +/- 2.80   0.695% *  0.0293% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   63  15.79 +/- 3.71   0.369% *  0.0505% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73  10.44 +/- 3.14   0.826% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  14.84 +/- 2.26   0.308% *  0.0505% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  17.20 +/- 4.16   0.197% *  0.0766% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63  10.03 +/- 2.97   1.232% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.83 +/- 4.69   1.218% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.62 +/- 1.09   2.649% *  0.0048% (0.06   1.0  1.00   0.02   9.41) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  16.31 +/- 3.77   0.149% *  0.0780% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.70 +/- 3.10   0.435% *  0.0267% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  16.86 +/- 3.29   0.142% *  0.0780% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  11.77 +/- 3.01   0.550% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  12.66 +/- 2.19   0.390% *  0.0267% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.47 +/- 2.24   0.701% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.17 +/- 1.76   0.619% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104  11.59 +/- 6.20   1.738% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  14.18 +/- 3.22   0.275% *  0.0185% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  17.15 +/- 3.54   0.208% *  0.0190% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.10 +/- 5.33   0.874% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.08 +/- 2.86   0.138% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.42 +/- 4.20   0.198% *  0.0124% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.42 +/- 2.87   0.152% *  0.0137% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.20 +/- 2.20   0.237% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  17.42 +/- 3.25   0.139% *  0.0065% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.54 +/- 4.15   0.192% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.01 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 = 0.996, support = 6.26, residual support = 165.4:
    * O T QD2   LEU   73 - QD1   LEU   73   2.05 +/- 0.05  49.491% * 67.2826% (1.00  10.0 10.00   6.48 173.26) =  95.428%  kept
          HG    LEU   31 - QD1   LEU   73   5.95 +/- 3.16  11.274% *  7.3704% (0.97   1.0  1.00   2.27   1.60) =   2.381%  kept
        T QD2   LEU   73 - QD1   LEU   63   7.52 +/- 1.73   2.550% * 19.4851% (1.00   1.0 10.00   0.58   0.13) =   1.424%  kept
          HG    LEU   31 - QD1   LEU   63  12.22 +/- 4.23   3.979% *  3.4184% (0.97   1.0  1.00   1.05   0.27) =   0.390%  kept
          QG1   VAL   43 - QD1   LEU   73   5.87 +/- 2.76  11.534% *  0.9118% (0.28   1.0  1.00   0.97   6.40) =   0.301%  kept
        T QG1   VAL   41 - QD1   LEU   73   6.95 +/- 2.41   4.294% *  0.3016% (0.45   1.0 10.00   0.02   0.02) =   0.037%
        T QG1   VAL   41 - QD1   LEU   63   8.46 +/- 1.63   0.913% *  0.3016% (0.45   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 121 - QD1   LEU   73  16.27 +/- 4.38   0.942% *  0.2295% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - QD1   LEU  104  11.47 +/- 6.90   3.135% *  0.0562% (0.08   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   41 - QD1   LEU  104   7.39 +/- 2.24   2.196% *  0.0738% (0.11   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 121 - QD1   LEU   63  10.39 +/- 2.72   0.663% *  0.2295% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - QD1   LEU   63   6.62 +/- 1.54   2.054% *  0.0603% (0.90   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - QD1   LEU  104  11.21 +/- 3.12   0.729% *  0.1647% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - QD1   LEU   63   7.49 +/- 2.29   2.749% *  0.0187% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   73  11.41 +/- 2.99   0.758% *  0.0603% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  12.80 +/- 4.22   0.891% *  0.0159% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.41 +/- 1.99   1.552% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  12.89 +/- 1.85   0.296% *  0.0148% (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 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 173.3:
    *   T HA    LEU   73 - QD2   LEU   73   3.09 +/- 0.49  98.054% * 99.6602% (1.00 10.00   6.20 173.26) =  99.993%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.81 +/- 4.05   1.946% *  0.3398% (0.34 10.00   0.02   0.02) =   0.007%
    Distance limit 3.21 A violated in 0 structures by 0.10 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.19, residual support = 172.9:
    * O T HB2   LEU   73 - QD2   LEU   73   2.93 +/- 0.27  72.582% * 95.2050% (1.00  10.0 10.00   6.20 173.26) =  99.808%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.37 +/- 0.66   3.356% *  3.3800% (0.22   1.0 10.00   0.32   2.35) =   0.164%  kept
        T QG1   ILE   56 - QD2   LEU   73  10.99 +/- 2.62   2.527% *  0.2938% (0.31   1.0 10.00   0.02   0.02) =   0.011%
          HG3   PRO   93 - QD2   LEU   73  12.22 +/- 3.04   4.406% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LEU   73 - HG3   LYS+ 121  19.46 +/- 4.60   0.617% *  0.3247% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   92 - QD2   LEU   73  13.51 +/- 2.33   1.332% *  0.0919% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD2   LEU   73  12.43 +/- 2.72   1.315% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD2   LEU   73  12.66 +/- 2.76   1.147% *  0.0879% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+ 121  13.30 +/- 1.09   0.866% *  0.1002% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 121  14.31 +/- 7.00   2.751% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  18.71 +/- 3.93   0.604% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HG3   LYS+ 121  15.03 +/- 5.94   1.671% *  0.0307% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD2   LEU   73  15.92 +/- 2.50   0.569% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  14.72 +/- 2.70   0.762% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  13.08 +/- 3.23   1.277% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  15.83 +/- 7.89   2.415% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  18.06 +/- 2.49   0.408% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  17.93 +/- 6.67   0.870% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.84 +/- 2.46   0.234% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.22 +/- 1.99   0.292% *  0.0197% (0.21   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.934, support = 6.57, residual support = 178.3:
    * O T HB3   LEU   73 - QD2   LEU   73   2.86 +/- 0.32  31.315% * 84.5732% (1.00  10.0 10.00   6.67 173.26) =  92.009%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.64 +/- 0.25  37.913% *  4.4498% (0.05  10.0 10.00   5.98 312.54) =   5.861%  kept
          HB3   LYS+  74 - QD2   LEU   73   4.99 +/- 0.97   8.805% *  4.1793% (0.18   1.0  1.00   5.64  42.84) =   1.278%  kept
          HB    VAL   42 - QD2   LEU   73   6.31 +/- 1.97   4.269% *  5.5490% (0.99   1.0  1.00   1.32   1.04) =   0.823%  kept
        T HB3   LEU   73 - HG3   LYS+ 121  18.98 +/- 4.78   0.577% *  0.2884% (0.34   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+  33 - QD2   LEU   73   9.11 +/- 2.14   1.649% *  0.0816% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  65 - QD2   LEU   73   9.55 +/- 1.94   1.415% *  0.0838% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   LYS+ 121 - QD2   LEU   73  14.88 +/- 3.73   0.595% *  0.1305% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD2   LEU   73  10.83 +/- 2.71   1.907% *  0.0317% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   73   9.29 +/- 2.67   1.305% *  0.0317% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   73  13.12 +/- 3.04   0.400% *  0.0781% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  13.27 +/- 4.81   1.078% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   73  10.15 +/- 2.60   1.013% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD2   LEU   73  16.37 +/- 3.49   0.246% *  0.0829% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG3   LYS+ 121  15.46 +/- 6.80   0.720% *  0.0266% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   73  14.45 +/- 2.28   0.323% *  0.0547% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  16.24 +/- 3.17   0.199% *  0.0844% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   LYS+ 121   6.68 +/- 1.22   3.162% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  12.58 +/- 2.25   0.478% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  20.11 +/- 7.73   0.292% *  0.0288% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.87 +/- 3.77   0.257% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  15.24 +/- 6.01   0.656% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.23 +/- 1.67   0.174% *  0.0283% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  20.81 +/- 5.23   0.132% *  0.0278% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  17.21 +/- 6.76   0.452% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.47 +/- 2.22   0.219% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  22.22 +/- 4.14   0.117% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.72 +/- 2.34   0.152% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.50 +/- 3.38   0.120% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  24.59 +/- 3.06   0.058% *  0.0098% (0.12   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.39, residual support = 170.7:
    * O T QD1   LEU   73 - QD2   LEU   73   2.05 +/- 0.05  76.663% * 76.4994% (1.00  10.0 10.00   6.48 173.26) =  98.492%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.52 +/- 1.73   3.953% * 22.1542% (1.00   1.0 10.00   0.58   0.13) =   1.471%  kept
        T QD1   LEU  104 - HG3   LYS+ 121  11.47 +/- 6.90   4.757% *  0.1477% (0.19   1.0 10.00   0.02   0.02) =   0.012%
        T QD1   LEU  104 - QD2   LEU   73  11.21 +/- 3.12   1.142% *  0.4331% (0.57   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   73 - HG3   LYS+ 121  16.27 +/- 4.38   1.392% *  0.2609% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   63 - HG3   LYS+ 121  10.39 +/- 2.72   0.997% *  0.2609% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QD2   LEU   73   7.70 +/- 1.80   3.448% *  0.0433% (0.57   1.0  1.00   0.02   0.13) =   0.003%
          QD2   LEU   80 - QD2   LEU   73   9.88 +/- 2.83   1.718% *  0.0613% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - QD2   LEU   73  11.24 +/- 2.52   0.947% *  0.0639% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU   73  10.89 +/- 3.48   3.151% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HG3   LYS+ 121  10.09 +/- 0.97   0.731% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121  11.07 +/- 2.72   0.921% *  0.0148% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  23.03 +/- 4.00   0.083% *  0.0209% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  22.96 +/- 3.99   0.100% *  0.0046% (0.06   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 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.8:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.70 +/- 0.25  85.689% * 99.4757% (0.64  10.0 10.00   6.31 186.86) =  99.991%  kept
          HG2   LYS+  65 - HA    LYS+  74   9.84 +/- 2.69   3.902% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   40 - HA    LYS+  74  12.57 +/- 2.09   1.297% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    LYS+  74  10.97 +/- 2.81   2.129% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LYS+  74   9.47 +/- 2.15   3.250% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    LYS+  74  15.43 +/- 2.88   0.658% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  74  11.69 +/- 2.08   1.587% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.04 +/- 2.10   0.395% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.78 +/- 2.77   0.754% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.46 +/- 2.94   0.339% *  0.0466% (0.30   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 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.8:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.49 +/- 0.26  89.821% * 99.1206% (0.80  10.0 10.00   6.28 186.86) =  99.989%  kept
        T HG3   LYS+ 111 - HA    LYS+  74  20.37 +/- 4.11   0.833% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HA    LYS+  74  11.18 +/- 5.19   2.619% *  0.0915% (0.74   1.0  1.00   0.02   7.68) =   0.003%
          HG    LEU   71 - HA    LYS+  74  11.10 +/- 1.47   1.465% *  0.0989% (0.80   1.0  1.00   0.02   0.66) =   0.002%
          QB    ALA   91 - HA    LYS+  74  12.34 +/- 2.06   1.716% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  74  12.32 +/- 1.94   1.063% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    LYS+  74  18.98 +/- 4.13   0.316% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  16.26 +/- 2.64   0.525% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  11.65 +/- 1.58   1.081% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  18.11 +/- 3.19   0.562% *  0.0338% (0.27   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 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.776, support = 5.55, residual support = 179.9:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.61 +/- 0.14  46.379% * 92.2656% (0.80  10.0 10.00   5.57 186.86) =  95.525%  kept
          HB    VAL   75 - HA    LYS+  74   4.35 +/- 0.22  27.093% *  7.3258% (0.25   1.0  1.00   5.14  31.85) =   4.431%  kept
          QD1   LEU   67 - HA    LYS+  74   7.12 +/- 1.91  12.113% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.023%
          QD2   LEU   71 - HA    LYS+  74   8.73 +/- 1.36   7.951% *  0.0634% (0.55   1.0  1.00   0.02   0.66) =   0.011%
          QD2   LEU   40 - HA    LYS+  74  10.50 +/- 1.90   3.485% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.006%
          QG2   ILE  103 - HA    LYS+  74  14.44 +/- 2.48   0.935% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LYS+  74  13.89 +/- 2.73   1.026% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    LYS+  74  13.76 +/- 2.07   1.018% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.29 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.8:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.89 +/- 0.64  82.476% * 99.2156% (0.80 10.00   5.91 186.86) =  99.982%  kept
          QD    LYS+  65 - HA    LYS+  74   9.46 +/- 2.50   8.517% *  0.0562% (0.45  1.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - HA    LYS+  74  16.05 +/- 3.19   1.387% *  0.3384% (0.27 10.00   0.02   0.02) =   0.006%
          QB    ALA   57 - HA    LYS+  74  10.84 +/- 2.13   3.472% *  0.0861% (0.69  1.00   0.02   0.02) =   0.004%
          HB    VAL   83 - HA    LYS+  74  13.85 +/- 2.94   1.533% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HA    LYS+  74  13.55 +/- 2.17   1.212% *  0.0562% (0.45  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  21.71 +/- 4.45   0.413% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  18.10 +/- 2.54   0.561% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.03 +/- 3.08   0.428% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.17 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.8:
    *   T QE    LYS+  74 - HA    LYS+  74   3.05 +/- 0.55  82.357% * 99.7560% (0.80 10.00   4.93 186.86) =  99.991%  kept
          HB2   PHE   72 - HA    LYS+  74   6.24 +/- 0.62  12.941% *  0.0308% (0.25  1.00   0.02   1.49) =   0.005%
          QB    CYS   50 - HA    LYS+  74  12.83 +/- 2.26   1.528% *  0.0995% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HA    LYS+  74  14.19 +/- 1.76   1.122% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.42 +/- 0.92   2.052% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.33 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.9:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.70 +/- 0.25  97.574% * 99.8966% (0.64  10.0 10.00   6.31 186.86) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  14.24 +/- 2.10   0.884% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  15.41 +/- 2.73   1.542% *  0.0278% (0.18   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 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 = 5.83, residual support = 186.4:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.00 +/- 0.06  80.470% * 96.6498% (0.80  10.0 10.00   5.85 186.86) =  99.744%  kept
          HG    LEU   71 - HB2   LYS+  74  11.35 +/- 2.53   9.137% *  1.7529% (0.80   1.0  1.00   0.36   0.66) =   0.205%  kept
          HG13  ILE   19 - HB2   LYS+  74  11.03 +/- 5.09   3.672% *  0.9254% (0.74   1.0  1.00   0.21   7.68) =   0.044%
        T HG3   LYS+ 111 - HB2   LYS+  74  22.42 +/- 4.20   0.713% *  0.3627% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   91 - HB2   LYS+  74  13.44 +/- 2.21   1.673% *  0.0586% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HB2   LYS+  74  12.68 +/- 2.35   1.569% *  0.0586% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB2   LYS+  74  20.14 +/- 4.65   0.401% *  0.0964% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  18.59 +/- 4.39   0.768% *  0.0330% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  17.42 +/- 2.60   0.546% *  0.0433% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  13.21 +/- 1.36   1.052% *  0.0191% (0.16   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 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 5.25, residual support = 185.0:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.66 +/- 0.15  69.441% * 90.1731% (0.80  10.0 10.00   5.27 186.86) =  98.921%  kept
          HB    VAL   75 - HB2   LYS+  74   6.18 +/- 0.55   6.150% *  6.4259% (0.25   1.0  1.00   4.62  31.85) =   0.624%  kept
          QD2   LEU   71 - HB2   LYS+  74   8.99 +/- 2.09  12.644% *  1.5867% (0.55   1.0  1.00   0.51   0.66) =   0.317%  kept
        T QD1   LEU   67 - HB2   LYS+  74   7.89 +/- 2.25   8.528% *  0.8324% (0.74   1.0 10.00   0.02   0.02) =   0.112%  kept
        T QD2   LEU   40 - HB2   LYS+  74  11.65 +/- 2.49   1.897% *  0.8087% (0.72   1.0 10.00   0.02   0.02) =   0.024%
          QG2   ILE  103 - HB2   LYS+  74  15.90 +/- 2.60   0.391% *  0.0884% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  15.17 +/- 2.94   0.470% *  0.0511% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  15.19 +/- 2.14   0.479% *  0.0338% (0.30   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 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.8:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.40 +/- 0.38  91.867% * 97.4681% (0.80  10.0 10.00   6.31 186.86) =  99.967%  kept
        T QD    LYS+  65 - HB2   LYS+  74   9.56 +/- 3.02   2.873% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.018%
        T HD3   LYS+ 111 - HB2   LYS+  74  23.74 +/- 4.68   0.847% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  38 - HB2   LYS+  74  16.54 +/- 4.18   1.198% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.82 +/- 2.74   0.212% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LYS+  74  12.03 +/- 2.43   1.246% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HB2   LYS+  74  13.43 +/- 2.29   0.838% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  14.56 +/- 3.21   0.742% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.51 +/- 3.26   0.176% *  0.0552% (0.45   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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.6:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.06 +/- 0.70  79.670% * 99.0875% (0.80 10.00   4.62 186.86) =  99.871%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.42 +/- 1.12  14.025% *  0.7007% (0.25  1.00   0.46   1.49) =   0.124%  kept
          QB    CYS   50 - HB2   LYS+  74  13.81 +/- 2.57   1.725% *  0.0989% (0.80  1.00   0.02   0.02) =   0.002%
          HB3   ASN   69 - HB2   LYS+  74  14.71 +/- 2.56   1.570% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   LYS+  74  11.60 +/- 1.52   3.010% *  0.0372% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.9:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.49 +/- 0.26  92.617% * 99.7790% (0.80  10.0 10.00   6.28 186.86) =  99.998%  kept
        T HA    LYS+  74 - HG3   LYS+ 111  20.37 +/- 4.11   0.851% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   94 - HG2   LYS+  74  13.19 +/- 2.36   0.864% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   94 - HG3   LYS+ 111  10.31 +/- 2.41   3.273% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  14.08 +/- 2.71   0.890% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  12.55 +/- 4.16   1.504% *  0.0030% (0.02   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 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 186.8:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.00 +/- 0.06  71.663% * 99.3145% (0.80  10.0 10.00   5.85 186.86) =  99.986%  kept
          HG2   LYS+  65 - HG2   LYS+  74   9.77 +/- 3.49   5.844% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          QG2   THR   26 - HG2   LYS+  74  11.66 +/- 3.12   2.092% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG2   LYS+  74  14.03 +/- 2.77   1.208% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HG2   LYS+  74  10.17 +/- 2.67   4.169% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HG3   LYS+ 111  22.42 +/- 4.20   0.632% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG2   LYS+  74  16.40 +/- 3.37   0.630% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HG3   LYS+ 111   8.68 +/- 1.82   4.514% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HG2   LYS+  74  13.25 +/- 2.64   1.624% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.97 +/- 2.30   0.381% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  15.84 +/- 3.16   0.689% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.72 +/- 2.93   0.309% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.35 +/- 0.92   0.873% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   9.42 +/- 1.44   3.063% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  20.91 +/- 3.60   0.752% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  21.68 +/- 2.78   0.234% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  16.63 +/- 2.61   0.558% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  24.06 +/- 3.43   0.188% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.10 +/- 3.07   0.279% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  20.11 +/- 2.69   0.294% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 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  89.325% * 92.8700% (1.00  10.0 10.00   4.54 186.86) =  99.742%  kept
          HB    VAL   75 - HG2   LYS+  74   5.63 +/- 0.76   3.220% *  6.5111% (0.31   1.0  1.00   4.54  31.85) =   0.252%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.82 +/- 2.10   2.539% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HG2   LYS+  74   9.72 +/- 1.89   1.442% *  0.0638% (0.69   1.0  1.00   0.02   0.66) =   0.001%
          QD2   LEU   40 - HG2   LYS+  74  11.75 +/- 2.53   0.928% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - HG3   LYS+ 111  22.53 +/- 4.66   0.245% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.69 +/- 2.79   0.245% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  15.16 +/- 2.99   0.246% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.54 +/- 2.54   0.212% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  20.16 +/- 2.78   0.080% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  13.37 +/- 3.08   0.439% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  14.96 +/- 2.92   0.284% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.73 +/- 2.81   0.173% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  16.67 +/- 2.04   0.119% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.69 +/- 1.16   0.253% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.18 +/- 3.94   0.252% *  0.0031% (0.03   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 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.924, support = 5.52, residual support = 197.3:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.79 +/- 0.19  44.044% * 89.4618% (1.00  10.0 10.00   5.54 186.86) =  91.669%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.78 +/- 0.31  44.384% *  7.9861% (0.09  10.0 10.00   5.39 314.81) =   8.246%  kept
        T QD    LYS+  65 - HG2   LYS+  74   9.17 +/- 3.33   4.580% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.054%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.57 +/- 4.98   1.016% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.018%
        T QD    LYS+  33 - HG2   LYS+  74  14.59 +/- 2.40   0.364% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HG2   LYS+  74  11.01 +/- 2.63   1.760% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG2   LYS+  74  17.15 +/- 3.87   0.368% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HG3   LYS+ 111  21.47 +/- 4.49   0.731% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HG2   LYS+  74  14.03 +/- 2.91   0.622% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.44 +/- 2.94   0.237% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.37 +/- 2.51   0.153% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.04 +/- 3.34   0.133% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.34 +/- 2.21   0.802% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  26.28 +/- 3.32   0.066% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  24.99 +/- 3.48   0.077% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.76 +/- 2.48   0.243% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.60 +/- 4.76   0.296% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.78 +/- 1.42   0.124% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.8:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.62 +/- 0.60  83.366% * 99.6238% (1.00  10.0 10.00   4.54 186.86) =  99.992%  kept
        T QE    LYS+  74 - HG3   LYS+ 111  18.84 +/- 3.86   1.877% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG2   LYS+  74   7.98 +/- 0.94   5.590% *  0.0307% (0.31   1.0  1.00   0.02   1.49) =   0.002%
          QB    CYS   50 - HG2   LYS+  74  12.68 +/- 2.66   1.214% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  10.66 +/- 1.57   2.268% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG2   LYS+  74  14.99 +/- 2.46   1.062% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG3   LYS+ 111  21.83 +/- 6.02   3.156% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  15.12 +/- 1.60   0.679% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  24.66 +/- 3.83   0.230% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.81 +/- 3.66   0.557% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.9:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.61 +/- 0.14  96.077% * 99.8966% (0.80  10.0 10.00   5.57 186.86) =  99.998%  kept
          HA    THR   94 - HG3   LYS+  74  14.50 +/- 2.37   1.797% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG3   LYS+  74  15.04 +/- 2.79   2.126% *  0.0278% (0.22   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 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 186.8:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.66 +/- 0.15  86.606% * 98.5261% (0.80  10.0 10.00   5.27 186.86) =  99.986%  kept
        T HG    LEU  115 - HG3   LYS+  74  17.62 +/- 3.40   0.408% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HG3   LYS+  74  10.22 +/- 3.84   5.015% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HG3   LYS+  74  14.23 +/- 2.85   0.970% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HG3   LYS+  74  11.50 +/- 3.38   2.105% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HG3   LYS+  74  10.85 +/- 2.83   3.152% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG3   LYS+  74  14.88 +/- 3.06   0.747% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  18.92 +/- 2.36   0.281% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.86 +/- 3.00   0.274% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  17.10 +/- 3.16   0.442% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.9:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  96.738% * 99.1206% (1.00  10.0 10.00   4.54 186.86) =  99.997%  kept
        T HG3   LYS+ 111 - HG3   LYS+  74  22.53 +/- 4.66   0.266% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HG3   LYS+  74  12.67 +/- 2.52   0.851% *  0.0989% (1.00   1.0  1.00   0.02   0.66) =   0.001%
          HG13  ILE   19 - HG3   LYS+  74  12.53 +/- 5.00   0.572% *  0.0915% (0.92   1.0  1.00   0.02   7.68) =   0.001%
          QB    ALA   91 - HG3   LYS+  74  13.13 +/- 2.43   0.670% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.85 +/- 2.54   0.270% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.40 +/- 4.57   0.089% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  13.11 +/- 1.94   0.290% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  17.32 +/- 2.03   0.119% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  19.83 +/- 4.61   0.134% *  0.0338% (0.34   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 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.90 +/- 0.12  83.421% * 99.2156% (1.00  10.0 10.00   4.97 186.86) =  99.984%  kept
          QD    LYS+  65 - HG3   LYS+  74   9.39 +/- 3.69   7.634% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HG3   LYS+  74  17.63 +/- 4.41   0.932% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HG3   LYS+  74  11.73 +/- 2.85   3.136% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HG3   LYS+  74  23.85 +/- 5.17   2.363% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HG3   LYS+  74  14.54 +/- 2.92   1.095% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HG3   LYS+  74  14.68 +/- 2.58   0.901% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  74  20.48 +/- 2.57   0.277% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.03 +/- 3.31   0.242% *  0.0562% (0.57   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.9:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.90 +/- 0.41  90.405% * 99.7560% (1.00  10.0 10.00   4.00 186.86) =  99.995%  kept
          QB    CYS   50 - HG3   LYS+  74  13.24 +/- 3.00   1.901% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG3   LYS+  74   8.85 +/- 1.11   4.161% *  0.0308% (0.31   1.0  1.00   0.02   1.49) =   0.001%
          HB3   ASN   69 - HG3   LYS+  74  15.48 +/- 2.85   1.179% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  10.81 +/- 1.70   2.354% *  0.0374% (0.38   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 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.9:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.89 +/- 0.64  94.745% * 99.6012% (0.80 10.00   5.91 186.86) =  99.995%  kept
        T HA    LYS+  74 - QD    LYS+  38  16.05 +/- 3.19   1.588% *  0.2184% (0.18 10.00   0.02   0.02) =   0.004%
          HA    THR   94 - HD2   LYS+  74  13.52 +/- 2.23   1.238% *  0.0754% (0.61  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HD2   LYS+  74  14.38 +/- 2.67   1.672% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  24.37 +/- 3.25   0.269% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  19.82 +/- 2.50   0.487% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 186.8:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.40 +/- 0.38  75.005% * 98.0482% (0.80  10.0 10.00   6.31 186.86) =  99.953%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   9.47 +/- 3.86   4.603% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.034%
        T HB2   LYS+  74 - QD    LYS+  38  16.54 +/- 4.18   0.968% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   67 - HD2   LYS+  74  10.09 +/- 2.82   3.717% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HD2   LYS+  74  11.79 +/- 3.26   1.659% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  16.98 +/- 5.78   0.986% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.87 +/- 2.86   0.180% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  14.21 +/- 2.44   0.678% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   8.24 +/- 1.15   2.993% *  0.0241% (0.20   1.0  1.00   0.02   0.82) =   0.001%
        T HG2   LYS+  65 - QD    LYS+  38  18.87 +/- 4.16   0.539% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HD2   LYS+  74  16.57 +/- 3.02   0.381% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  13.00 +/- 3.57   3.299% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  18.00 +/- 2.39   0.248% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  13.40 +/- 2.37   0.759% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  13.88 +/- 2.07   0.719% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  15.99 +/- 2.73   0.409% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.15 +/- 1.44   1.858% *  0.0047% (0.04   1.0  1.00   0.02   0.82) =   0.000%
          QB    ALA  120 - QD    LYS+  38  16.66 +/- 4.44   0.468% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  20.77 +/- 4.58   0.234% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  19.69 +/- 4.47   0.298% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.17 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.891, support = 5.53, residual support = 190.2:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.79 +/- 0.19  27.424% * 88.7629% (1.00  10.0 10.00   5.54 186.86) =  88.163%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.31 +/- 0.13  47.617% *  6.6396% (0.07  10.0 10.00   5.57 221.19) =  11.451%  kept
          QG2   THR   39 - QD    LYS+  38   6.09 +/- 0.91   3.631% *  2.2166% (0.13   1.0  1.00   3.76  30.35) =   0.292%  kept
        T HG3   LYS+  99 - QD    LYS+  38  10.47 +/- 5.69  10.273% *  0.1942% (0.22   1.0 10.00   0.02   0.02) =   0.072%
        T HG3   LYS+ 111 - HD2   LYS+  74  21.47 +/- 4.49   0.407% *  0.3331% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          HG13  ILE   19 - QD    LYS+  38  13.24 +/- 3.14   4.830% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HD2   LYS+  74  20.82 +/- 4.30   0.087% *  0.8857% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - HD2   LYS+  74  12.18 +/- 2.25   0.789% *  0.0886% (1.00   1.0  1.00   0.02   0.66) =   0.003%
        T HG3   LYS+  38 - HD2   LYS+  74  19.42 +/- 4.16   0.161% *  0.3028% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HD2   LYS+  74  12.52 +/- 5.17   0.558% *  0.0819% (0.92   1.0  1.00   0.02   7.68) =   0.002%
          HG    LEU   71 - QD    LYS+  38   9.94 +/- 3.47   2.254% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - QD    LYS+  38  17.15 +/- 3.87   0.216% *  0.1946% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   91 - HD2   LYS+  74  12.64 +/- 2.20   0.560% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HD2   LYS+  74  13.47 +/- 2.05   0.301% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HD2   LYS+  74  12.27 +/- 1.41   0.375% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  16.82 +/- 2.87   0.160% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  24.99 +/- 3.48   0.044% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  21.26 +/- 2.38   0.069% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  18.73 +/- 3.29   0.185% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  24.88 +/- 5.58   0.059% *  0.0087% (0.10   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 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.992, support = 4.97, residual support = 185.1:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.90 +/- 0.12  46.879% * 93.0968% (1.00  10.0 10.00   4.97 186.86) =  98.880%  kept
          HB    VAL   75 - HD2   LYS+  74   6.00 +/- 1.01   7.660% *  6.1900% (0.31   1.0  1.00   4.31  31.85) =   1.074%  kept
          QD1   LEU   67 - HD2   LYS+  74   7.77 +/- 2.56  13.024% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.025%
          QD2   LEU   71 - HD2   LYS+  74   9.61 +/- 1.88   3.389% *  0.0639% (0.69   1.0  1.00   0.02   0.66) =   0.005%
          QD2   LEU   71 - QD    LYS+  38   8.65 +/- 3.43  11.071% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - QD    LYS+  38  10.81 +/- 3.23   7.209% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - QD    LYS+  38   7.25 +/- 1.64   5.412% *  0.0183% (0.20   1.0  1.00   0.02   0.82) =   0.002%
        T HG3   LYS+  74 - QD    LYS+  38  17.63 +/- 4.41   0.462% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HD2   LYS+  74  11.93 +/- 2.18   0.993% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HD2   LYS+  74  15.99 +/- 2.67   0.394% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HD2   LYS+  74  15.40 +/- 2.82   0.421% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    LYS+  38  12.74 +/- 2.14   0.801% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  14.56 +/- 2.46   0.452% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.21 +/- 2.60   0.982% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.29 +/- 4.00   0.438% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  16.30 +/- 3.14   0.412% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.9:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.26 +/- 0.10  84.801% * 99.4851% (1.00  10.0 10.00   4.97 186.86) =  99.994%  kept
          HB3   ASN   69 - QD    LYS+  38  11.07 +/- 3.91   8.216% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.002%
        T QE    LYS+  74 - QD    LYS+  38  15.75 +/- 3.35   0.574% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HD2   LYS+  74  12.63 +/- 2.56   0.734% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HD2   LYS+  74   8.27 +/- 0.99   2.031% *  0.0307% (0.31   1.0  1.00   0.02   1.49) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  10.95 +/- 1.78   1.007% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  14.82 +/- 2.62   0.492% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  11.88 +/- 2.64   1.934% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  22.72 +/- 3.42   0.107% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  23.92 +/- 4.04   0.103% *  0.0082% (0.08   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 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.9:
    *   T HA    LYS+  74 - QE    LYS+  74   3.05 +/- 0.55  95.201% * 99.8966% (0.80 10.00   4.93 186.86) =  99.997%  kept
          HA    THR   94 - QE    LYS+  74  11.82 +/- 1.83   2.598% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - QE    LYS+  74  12.42 +/- 2.26   2.200% *  0.0278% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.8:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.06 +/- 0.70  58.807% * 99.4757% (0.80 10.00   4.62 186.86) =  99.964%  kept
          HG2   LYS+  65 - QE    LYS+  74   8.17 +/- 4.23  23.975% *  0.0557% (0.45  1.00   0.02   0.02) =   0.023%
          HG    LEU   67 - QE    LYS+  74   9.14 +/- 2.87   9.516% *  0.0310% (0.25  1.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - QE    LYS+  74  13.04 +/- 1.73   1.268% *  0.1114% (0.90  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - QE    LYS+  74  11.09 +/- 2.99   1.941% *  0.0654% (0.53  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - QE    LYS+  74  14.56 +/- 2.80   0.935% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - QE    LYS+  74  16.05 +/- 2.37   0.560% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.31 +/- 1.71   1.504% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  17.84 +/- 2.55   0.481% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  14.07 +/- 2.54   1.012% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.19 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.8:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.62 +/- 0.60  85.226% * 99.1206% (1.00  10.0 10.00   4.54 186.86) =  99.981%  kept
        T HG3   LYS+ 111 - QE    LYS+  74  18.84 +/- 3.86   1.917% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          HG13  ILE   19 - QE    LYS+  74  11.82 +/- 4.88   3.185% *  0.0915% (0.92   1.0  1.00   0.02   7.68) =   0.003%
          QB    ALA   91 - QE    LYS+  74  10.86 +/- 2.31   2.813% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QE    LYS+  74  11.37 +/- 1.89   1.710% *  0.0989% (1.00   1.0  1.00   0.02   0.66) =   0.002%
          QG2   THR   39 - QE    LYS+  74  12.40 +/- 1.73   1.300% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+  74  18.80 +/- 3.42   0.462% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  14.52 +/- 2.33   0.941% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  74  10.62 +/- 1.81   1.693% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  17.85 +/- 3.50   0.753% *  0.0338% (0.34   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 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.989, support = 4.0, residual support = 184.3:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.90 +/- 0.41  59.652% * 93.7804% (1.00  10.0 10.00   4.00 186.86) =  98.355%  kept
          HB    VAL   75 - QE    LYS+  74   5.37 +/- 1.11  15.782% *  5.8043% (0.31   1.0  1.00   4.01  31.85) =   1.611%  kept
          QD1   LEU   67 - QE    LYS+  74   7.06 +/- 2.37  15.570% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.024%
          QD2   LEU   71 - QE    LYS+  74   8.98 +/- 1.72   4.493% *  0.0644% (0.69   1.0  1.00   0.02   0.66) =   0.005%
          QD2   LEU   40 - QE    LYS+  74  10.95 +/- 1.57   1.623% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QE    LYS+  74  14.30 +/- 2.20   0.784% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QE    LYS+  74  13.81 +/- 2.47   0.902% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QE    LYS+  74  12.87 +/- 2.53   1.193% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.8:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.26 +/- 0.10  79.829% * 99.2156% (1.00  10.0 10.00   4.97 186.86) =  99.983%  kept
          QD    LYS+  65 - QE    LYS+  74   7.66 +/- 3.79  15.158% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.011%
        T QD    LYS+  38 - QE    LYS+  74  15.75 +/- 3.35   0.550% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - QE    LYS+  74   9.68 +/- 2.30   2.011% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - QE    LYS+  74  20.08 +/- 4.21   0.887% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  12.49 +/- 2.41   0.632% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.62 +/- 2.47   0.512% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.69 +/- 3.76   0.219% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  17.53 +/- 2.43   0.203% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 3.44, residual support = 82.5:
    * O T HB    VAL   75 - HA    VAL   75   2.85 +/- 0.21  79.147% * 93.6665% (1.00  10.0 10.00   3.44  82.87) =  99.283%  kept
          HG3   LYS+  74 - HA    VAL   75   6.13 +/- 0.56   9.094% *  5.7912% (0.31   1.0  1.00   4.01  31.85) =   0.705%  kept
          QD2   LEU   40 - HA    VAL   75  11.49 +/- 2.28   6.491% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T QD1   ILE  119 - HA    VAL   75  14.21 +/- 2.08   0.862% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU   67 - HA    VAL   75   9.22 +/- 1.54   3.023% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HA    VAL   75  13.63 +/- 2.65   0.883% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  17.13 +/- 3.56   0.500% *  0.0164% (0.18   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 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   2.72 +/- 0.26  98.549% * 99.9055% (1.00  10.0 10.00   4.00  82.87) =  99.999%  kept
          QD1   LEU  115 - HA    VAL   75  12.91 +/- 2.65   1.451% *  0.0945% (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 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 82.5:
    * O T QG2   VAL   75 - HA    VAL   75   2.24 +/- 0.33  81.131% * 98.1558% (1.00  10.0 10.00   4.00  82.87) =  99.565%  kept
          QG2   VAL   42 - HA    VAL   75   8.53 +/- 2.40  18.869% *  1.8442% (0.97   1.0  1.00   0.39   0.02) =   0.435%  kept
    Distance limit 3.19 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   2.85 +/- 0.21  84.224% * 99.7003% (1.00  10.0 10.00   3.44  82.87) =  99.994%  kept
          HA    ALA   61 - HB    VAL   75   7.97 +/- 1.71  13.378% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ILE  119 - HB    VAL   75  15.17 +/- 2.61   0.754% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HB    VAL   75  13.80 +/- 2.09   0.997% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.80 +/- 3.58   0.646% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  98.873% * 99.9055% (1.00  10.0 10.00   3.44  82.87) =  99.999%  kept
          QD1   LEU  115 - HB    VAL   75  11.14 +/- 2.57   1.127% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.07 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 = 0.999, support = 3.31, residual support = 82.8:
    * O T QG2   VAL   75 - HB    VAL   75   2.11 +/- 0.02  92.310% * 99.0442% (1.00  10.0 10.00   3.31  82.87) =  99.920%  kept
        T QG2   VAL   42 - HB    VAL   75   7.21 +/- 1.84   7.690% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.080%
    Distance limit 3.04 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 = 82.9:
    * O T HA    VAL   75 - QG1   VAL   75   2.72 +/- 0.26  90.948% * 99.6578% (1.00  10.0 10.00   4.00  82.87) =  99.984%  kept
        T HA    ALA   61 - QG1   VAL   75   7.74 +/- 1.37   5.789% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.014%
          HD3   PRO   58 - QG1   VAL   75  11.92 +/- 1.92   1.424% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG1   VAL   75  13.51 +/- 2.12   0.881% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  13.38 +/- 3.02   0.958% *  0.0135% (0.14   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 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 82.8:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  85.500% * 94.0121% (1.00  10.0 10.00   3.44  82.87) =  99.797%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.83 +/- 0.55   2.730% *  5.7914% (0.31   1.0  1.00   3.99  31.85) =   0.196%  kept
          QD2   LEU   40 - QG1   VAL   75   9.59 +/- 1.83   4.985% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - QG1   VAL   75   7.88 +/- 1.65   4.631% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - QG1   VAL   75  10.55 +/- 1.97   0.871% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  10.90 +/- 1.54   0.824% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  13.54 +/- 2.53   0.459% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.99, residual support = 82.7:
    * O T QG2   VAL   75 - QG1   VAL   75   2.02 +/- 0.07  91.526% * 98.1534% (1.00  10.0 10.00   4.00  82.87) =  99.826%  kept
          QG2   VAL   42 - QG1   VAL   75   6.96 +/- 1.59   8.474% *  1.8466% (0.97   1.0  1.00   0.39   0.02) =   0.174%  kept
    Distance limit 2.47 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   2.24 +/- 0.33  82.887% * 99.8572% (1.00  10.0 10.00   4.00  82.87) =  99.995%  kept
          HA    ALA   61 - QG2   VAL   75   8.06 +/- 1.79  15.157% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HD3   PRO   58 - QG2   VAL   75  12.87 +/- 1.91   0.747% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG2   VAL   75  13.48 +/- 2.51   0.621% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.87 +/- 2.91   0.587% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 82.8:
    * O T HB    VAL   75 - QG2   VAL   75   2.11 +/- 0.02  88.726% * 94.0013% (1.00  10.0 10.00   3.31  82.87) =  99.782%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.66 +/- 0.53   3.075% *  5.8023% (0.31   1.0  1.00   4.00  31.85) =   0.213%  kept
          QD1   LEU   67 - QG2   VAL   75   7.24 +/- 1.27   3.346% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG2   VAL   75   8.60 +/- 1.26   2.369% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QG2   VAL   75  10.18 +/- 2.51   1.071% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  11.11 +/- 1.93   0.888% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.92 +/- 2.88   0.524% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.02 +/- 0.07  98.214% * 99.9055% (1.00  10.0 10.00   4.00  82.87) =  99.998%  kept
          QD1   LEU  115 - QG2   VAL   75  10.05 +/- 2.37   1.786% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.78 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 = 0.994, support = 2.84, residual support = 35.4:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.87 +/- 0.21  69.220% * 91.2267% (1.00  10.0 10.00   2.85  35.72) =  98.814%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.51 +/- 0.52  11.197% *  4.7206% (0.73   1.0  1.00   1.43   4.06) =   0.827%  kept
        T QE    LYS+  66 - HA    LEU   67   6.59 +/- 0.77   6.621% *  3.3322% (0.04   1.0 10.00   3.57  15.50) =   0.345%  kept
        T QE    LYS+  66 - HA    ASP-  76  14.78 +/- 3.61   2.421% *  0.2031% (0.22   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   ASP-  76 - HA    LEU   67  16.19 +/- 2.83   0.930% *  0.1497% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - HA    LEU   67   6.70 +/- 0.75   6.774% *  0.0147% (0.16   1.0  1.00   0.02   2.95) =   0.002%
        T QE    LYS+  33 - HA    ASP-  76  18.04 +/- 3.11   0.352% *  0.2031% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    ASP-  76  18.83 +/- 2.51   0.364% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  14.78 +/- 2.58   0.883% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.23 +/- 3.46   0.555% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  17.86 +/- 3.10   0.356% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  20.51 +/- 2.83   0.328% *  0.0023% (0.03   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 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   2.67 +/- 0.24  83.105% * 99.2676% (0.87  10.0 10.00   2.98  35.72) =  99.988%  kept
          HG3   MET   92 - HA    ASP-  76  12.87 +/- 3.26   6.453% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.008%
        T HB3   ASP-  76 - HA    LEU   67  15.93 +/- 2.70   0.705% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ASP-  76  19.12 +/- 3.40   0.450% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  12.29 +/- 2.36   1.115% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  76  19.28 +/- 3.36   0.327% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  11.90 +/- 2.47   1.777% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  12.20 +/- 4.01   3.039% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  23.48 +/- 3.25   0.163% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  17.69 +/- 2.66   0.341% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  17.27 +/- 3.73   0.457% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  19.56 +/- 5.38   0.436% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  20.98 +/- 3.67   0.323% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.40 +/- 2.27   0.662% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.51 +/- 2.41   0.273% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  22.46 +/- 3.81   0.374% *  0.0025% (0.02   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 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 35.7:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.87 +/- 0.21  86.056% * 99.3094% (1.00  10.0 10.00   2.85  35.72) =  99.983%  kept
        T HA    ASP-  76 - QE    LYS+  66  14.78 +/- 3.61   3.004% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LEU   67 - QE    LYS+  66   6.59 +/- 0.77   8.229% *  0.0515% (0.05   1.0 10.00   0.02  15.50) =   0.005%
        T HA    LEU   67 - HB2   ASP-  76  16.19 +/- 2.83   1.164% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASP-  76 - QE    LYS+  33  18.04 +/- 3.11   0.440% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.78 +/- 2.58   1.108% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.60 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  84.096% * 98.9845% (0.87  10.0 10.00   2.83  35.72) =  99.989%  kept
          HG3   MET   92 - HB2   ASP-  76  14.30 +/- 3.84   5.608% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   ASP-  76 - QE    LYS+  66  15.54 +/- 3.87   0.767% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    LYS+  33   5.82 +/- 1.55   5.468% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB2   ASP-  76  20.33 +/- 3.83   0.401% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   ASP-  76 - QE    LYS+  33  17.95 +/- 3.67   0.115% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  18.55 +/- 5.06   0.595% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.17 +/- 2.52   0.359% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  19.05 +/- 4.22   0.104% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  13.77 +/- 5.86   0.563% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.52 +/- 2.51   0.334% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  23.74 +/- 3.45   0.045% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  17.11 +/- 3.89   0.417% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  19.72 +/- 2.51   0.068% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  12.93 +/- 2.84   0.306% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  20.09 +/- 4.07   0.110% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  21.68 +/- 5.34   0.094% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  20.20 +/- 3.72   0.079% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.49 +/- 2.44   0.075% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  16.43 +/- 2.13   0.119% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  19.40 +/- 3.79   0.105% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  24.62 +/- 3.33   0.041% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  21.01 +/- 3.82   0.091% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  24.48 +/- 3.62   0.039% *  0.0023% (0.02   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 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   2.67 +/- 0.24  99.161% * 99.7513% (0.87  10.0 10.00   2.98  35.72) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  15.93 +/- 2.70   0.839% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.43 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 = 2.83, residual support = 35.7:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  92.208% * 97.6581% (0.87  10.0 10.00   2.83  35.72) =  99.866%  kept
          HB2   ASP-  78 - HB3   ASP-  76   5.13 +/- 1.08   6.601% *  1.7963% (0.63   1.0  1.00   0.51   4.06) =   0.132%  kept
        T QE    LYS+  66 - HB3   ASP-  76  15.54 +/- 3.87   0.840% *  0.2174% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HB3   ASP-  76  17.95 +/- 3.67   0.127% *  0.2174% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  19.73 +/- 2.70   0.082% *  0.0957% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  17.52 +/- 4.10   0.142% *  0.0151% (0.13   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 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 = 37.2:
    * O T HB    THR   77 - HA    THR   77   2.56 +/- 0.11  84.830% * 93.3216% (1.00  10.0 10.00   3.00  37.46) =  99.402%  kept
          HA    GLU-  79 - HA    THR   77   6.14 +/- 0.66   7.744% *  6.0847% (0.69   1.0  1.00   1.90   0.02) =   0.592%  kept
          HA    ASP-  44 - HA    THR   77   9.16 +/- 1.08   2.197% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77  11.51 +/- 2.57   1.466% *  0.0933% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HA    THR   77  12.37 +/- 2.66   1.240% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HA    THR   77  18.42 +/- 2.17   0.281% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  16.50 +/- 3.26   0.444% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.41 +/- 3.16   0.810% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.41 +/- 6.15   0.522% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  31.18 +/- 5.73   0.135% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  21.64 +/- 2.28   0.171% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  29.63 +/- 5.80   0.160% *  0.0384% (0.41   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 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   2.59 +/- 0.39  94.306% * 99.7982% (1.00  10.0 10.00   3.00  37.46) =  99.996%  kept
          QB    ALA   88 - HA    THR   77  10.56 +/- 2.76   3.688% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   23 - HA    THR   77  15.20 +/- 4.68   0.882% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  23.42 +/- 3.48   0.236% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.10 +/- 4.33   0.627% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  22.43 +/- 2.57   0.261% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.08 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   2.56 +/- 0.11  97.075% * 99.9104% (1.00  10.0 10.00   3.00  37.46) =  99.999%  kept
          HD2   PRO   93 - HB    THR   77   9.99 +/- 1.96   2.325% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB    THR   77  16.12 +/- 3.81   0.600% *  0.0448% (0.45   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 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  95.309% * 99.5496% (1.00  10.0 10.00   2.71  37.46) =  99.996%  kept
          QB    ALA   88 - HB    THR   77  10.03 +/- 3.04   3.880% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   23 - HB    THR   77  16.23 +/- 3.92   0.347% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB    THR   77  18.31 +/- 4.55   0.292% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  24.71 +/- 3.35   0.081% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  23.53 +/- 2.62   0.091% *  0.0340% (0.34   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 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   2.59 +/- 0.39  91.987% * 99.9104% (1.00  10.0 10.00   3.00  37.46) =  99.996%  kept
          HD2   PRO   93 - QG2   THR   77   7.57 +/- 1.45   6.945% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   27 - QG2   THR   77  13.03 +/- 2.90   1.069% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 37.3:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.02  85.827% * 92.4881% (1.00  10.0 10.00   2.71  37.46) =  99.617%  kept
          HA    ASP-  44 - QG2   THR   77   6.51 +/- 1.08   4.310% *  6.9516% (0.99   1.0  1.00   1.52   0.02) =   0.376%  kept
          HA    GLU-  79 - QG2   THR   77   7.01 +/- 0.66   2.865% *  0.0635% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77  10.14 +/- 2.36   1.519% *  0.0925% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - QG2   THR   77  11.00 +/- 2.51   1.473% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG2   THR   77  11.89 +/- 2.68   0.831% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.09 +/- 2.75   1.533% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.27 +/- 1.80   0.281% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  26.04 +/- 5.22   0.262% *  0.0907% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  21.27 +/- 5.02   0.668% *  0.0285% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  24.75 +/- 5.06   0.275% *  0.0380% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  18.26 +/- 1.63   0.155% *  0.0561% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.999, support = 3.46, residual support = 39.7:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.89 +/- 0.20  84.539% * 96.6027% (1.00  10.0 10.00   3.47  39.87) =  99.572%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.02 +/- 0.70  11.025% *  3.1700% (0.73   1.0  1.00   0.90   4.06) =   0.426%  kept
          QE    LYS+  65 - HA    ASP-  78  15.39 +/- 4.46   1.408% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  10.86 +/- 1.99   2.232% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    ASP-  78  24.08 +/- 3.46   0.293% *  0.0586% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.61 +/- 3.28   0.228% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  21.69 +/- 4.08   0.275% *  0.0508% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.9:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.71 +/- 0.21  93.941% * 99.8720% (1.00  10.0 10.00   2.31  39.87) =  99.998%  kept
          QB    CYS   50 - HA    ASP-  78  11.61 +/- 3.81   3.321% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    ASP-  78  10.44 +/- 1.73   2.447% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  25.17 +/- 2.27   0.132% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  24.50 +/- 2.89   0.160% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.46, residual support = 39.7:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.89 +/- 0.20  85.630% * 97.0307% (1.00  10.0 10.00   3.47  39.87) =  99.613%  kept
          HA    LEU   80 - HB2   ASP-  78   6.77 +/- 1.25  11.321% *  2.8370% (0.49   1.0  1.00   1.20   6.91) =   0.385%  kept
          HA    THR   23 - HB2   ASP-  78  16.80 +/- 6.83   1.789% *  0.0842% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   23 - HB2   ASP-  78  18.77 +/- 6.62   0.883% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  23.57 +/- 3.44   0.377% *  0.0150% (0.15   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 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 = 2.85, residual support = 39.9:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  97.568% * 99.8720% (1.00  10.0 10.00   2.85  39.87) =  99.999%  kept
          QB    CYS   50 - HB2   ASP-  78  11.74 +/- 4.45   1.537% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HB2   ASP-  78   9.35 +/- 1.42   0.818% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  24.89 +/- 2.21   0.037% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  24.56 +/- 2.63   0.040% *  0.0154% (0.15   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 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.9:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.71 +/- 0.21  91.353% * 99.8154% (1.00  10.0 10.00   2.31  39.87) =  99.995%  kept
          HA    LEU   80 - HB3   ASP-  78   7.23 +/- 1.08   6.762% *  0.0486% (0.49   1.0  1.00   0.02   6.91) =   0.004%
          HA    THR   23 - HB3   ASP-  78  16.97 +/- 6.43   0.998% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - HB3   ASP-  78  18.95 +/- 6.23   0.553% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  23.73 +/- 3.31   0.335% *  0.0154% (0.15   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 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 39.8:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  93.674% * 97.4518% (1.00  10.0 10.00   2.85  39.87) =  99.868%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.29 +/- 1.22   5.203% *  2.3189% (0.73   1.0  1.00   0.66   4.06) =   0.132%  kept
          QE    LYS+  65 - HB3   ASP-  78  14.49 +/- 4.59   0.638% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  12.63 +/- 1.75   0.304% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  22.02 +/- 3.34   0.058% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  23.49 +/- 3.29   0.058% *  0.0591% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  21.32 +/- 3.77   0.065% *  0.0513% (0.53   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 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 = 4.41, residual support = 56.9:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.91 +/- 0.20  95.858% * 98.4729% (1.00  10.0 10.00   4.41  56.93) =  99.994%  kept
          HG2   MET   92 - HA    GLU-  79  15.50 +/- 3.12   1.843% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HA    GLU-  79  26.60 +/- 2.43   0.140% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  79  28.35 +/- 5.86   0.378% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  20.89 +/- 3.93   0.539% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  79  19.25 +/- 5.28   0.614% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  20.00 +/- 6.71   0.628% *  0.0597% (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 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.9:
    * O T QG    GLU-  79 - HA    GLU-  79   2.35 +/- 0.24  94.392% * 99.7507% (1.00  10.0 10.00   3.52  56.93) =  99.998%  kept
          HB    VAL  107 - HA    GLU-  79  19.20 +/- 4.11   4.473% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLU-  79  20.76 +/- 3.55   0.745% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU-  79  21.85 +/- 2.74   0.157% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  25.28 +/- 3.44   0.116% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  25.16 +/- 3.21   0.116% *  0.0447% (0.45   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 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.41, residual support = 56.8:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.91 +/- 0.20  89.571% * 97.2539% (1.00  10.0 10.00   4.41  56.93) =  99.837%  kept
          HB    THR   77 - HB2   GLU-  79   7.30 +/- 0.59   6.247% *  2.2321% (0.69   1.0  1.00   0.67   0.02) =   0.160%  kept
          HA    ASP-  44 - HB2   GLU-  79  12.40 +/- 1.36   1.380% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  13.07 +/- 1.03   1.143% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLU-  79  19.73 +/- 3.81   0.399% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  17.65 +/- 2.70   0.501% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  20.45 +/- 2.80   0.348% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  22.36 +/- 2.89   0.252% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  30.79 +/- 5.60   0.160% *  0.0551% (0.57   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 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 = 3.53, residual support = 56.9:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.32 +/- 0.14  98.639% * 99.7507% (1.00  10.0 10.00   3.53  56.93) =  99.999%  kept
          HB    VAL  107 - HB2   GLU-  79  18.10 +/- 3.29   0.723% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLU-  79  21.05 +/- 2.78   0.172% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  19.59 +/- 2.99   0.258% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  24.26 +/- 3.05   0.104% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  24.01 +/- 2.73   0.103% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.9:
    * O T HA    GLU-  79 - QG    GLU-  79   2.35 +/- 0.24  94.152% * 99.4064% (1.00  10.0 10.00   3.52  56.93) =  99.996%  kept
          HB    THR   77 - QG    GLU-  79   8.21 +/- 0.57   2.562% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - QG    GLU-  79  12.40 +/- 1.40   0.998% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG    GLU-  79  12.21 +/- 1.13   0.874% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG    GLU-  79  19.02 +/- 3.77   0.322% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  18.76 +/- 3.24   0.367% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  17.14 +/- 2.63   0.359% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  20.16 +/- 2.98   0.228% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  27.52 +/- 5.24   0.139% *  0.0563% (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 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.53, residual support = 56.9:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.32 +/- 0.14  96.858% * 99.5443% (1.00  10.0 10.00   3.53  56.93) =  99.998%  kept
          HG2   MET   92 - QG    GLU-  79  14.69 +/- 2.86   0.846% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - QG    GLU-  79  17.02 +/- 6.74   1.266% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QG    GLU-  79  18.40 +/- 4.39   0.405% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  18.89 +/- 3.46   0.272% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.77 +/- 2.55   0.125% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  24.81 +/- 5.00   0.228% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.68, residual support = 85.0:
    *   T QD1   LEU   80 - HA    LEU   80   2.97 +/- 0.72  90.838% * 98.6414% (0.65 10.00   5.68  84.97) =  99.978%  kept
        T QD2   LEU   98 - HA    LEU   80  14.65 +/- 3.26   1.315% *  0.9864% (0.65 10.00   0.02   0.02) =   0.014%
          QD2   LEU   63 - HA    LEU   80  17.01 +/- 3.07   1.769% *  0.1408% (0.92  1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - HA    LEU   80  12.80 +/- 3.14   3.106% *  0.0520% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HA    LEU   80  14.88 +/- 3.14   1.240% *  0.1274% (0.84  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    LEU   80  16.79 +/- 3.14   1.733% *  0.0520% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.07 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.34, residual support = 84.8:
    * O   HA    LEU   80 - HB2   LEU   80   2.70 +/- 0.23  84.998% * 97.1116% (1.00  10.0   5.35  84.97) =  99.771%  kept
          HA    ASP-  78 - HB2   LEU   80   6.80 +/- 0.90   6.907% *  2.6428% (0.49   1.0   1.12   6.91) =   0.221%  kept
          HA    THR   23 - HB2   LEU   80  15.82 +/- 8.58   6.080% *  0.0778% (0.80   1.0   0.02   0.61) =   0.006%
          HB    THR   23 - HB2   LEU   80  17.71 +/- 8.43   1.751% *  0.0937% (0.97   1.0   0.02   0.61) =   0.002%
          HA    ASP- 105 - HB2   LEU   80  21.21 +/- 4.20   0.265% *  0.0742% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 84.9:
    * O T QD1   LEU   80 - HB2   LEU   80   2.87 +/- 0.40  88.868% * 97.5236% (0.65  10.0 10.00   4.96  84.97) =  99.948%  kept
        T QG2   VAL   41 - HB2   LEU   80  13.66 +/- 3.54   1.812% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.026%
        T QD2   LEU   98 - HB2   LEU   80  13.49 +/- 3.54   1.663% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.019%
          QD2   LEU   63 - HB2   LEU   80  15.91 +/- 3.05   2.300% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - HB2   LEU   80  11.86 +/- 3.49   3.569% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   LEU   80  15.64 +/- 3.02   1.788% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 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 = 0.644, support = 5.62, residual support = 84.1:
    *   T HA    LEU   80 - QD1   LEU   80   2.97 +/- 0.72  54.722% * 94.2710% (0.65 10.00   5.68  84.97) =  98.878%  kept
          HA    ASP-  78 - QD1   LEU   80   6.70 +/- 1.36  15.330% *  1.7692% (0.31  1.00   0.77   6.91) =   0.520%  kept
          HA    THR   23 - QD1   LEU   80  13.78 +/- 8.38  15.483% *  1.4440% (0.52  1.00   0.38   0.61) =   0.429%  kept
          HB    THR   23 - QD1   LEU   80  15.32 +/- 8.23   4.735% *  1.7403% (0.62  1.00   0.38   0.61) =   0.158%  kept
        T HA    LEU   80 - QD2   LEU   98  14.65 +/- 3.26   0.756% *  0.5404% (0.37 10.00   0.02   0.02) =   0.008%
          HA    ASP- 105 - QD2   LEU   98   8.47 +/- 1.33   5.531% *  0.0413% (0.28  1.00   0.02   5.71) =   0.004%
          HA    ASP- 105 - QD1   LEU   80  18.19 +/- 4.20   0.848% *  0.0720% (0.49  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - QD2   LEU   98  14.68 +/- 4.37   1.347% *  0.0433% (0.30  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - QD2   LEU   98  15.57 +/- 4.28   0.772% *  0.0521% (0.36  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QD2   LEU   98  15.93 +/- 1.97   0.476% *  0.0263% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.04 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 = 111.2:
    * O T QB    LYS+  81 - HA    LYS+  81   2.36 +/- 0.16  88.884% * 97.5498% (1.00  10.0 10.00   5.16 111.24) =  99.987%  kept
          QB    LYS+ 106 - HA    LYS+  81  17.35 +/- 4.32   2.561% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   PRO   68 - HA    LYS+  81  25.86 +/- 4.76   0.286% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HA    LYS+  81  10.73 +/- 2.89   2.064% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   ARG+  54 - HA    LYS+  81  20.22 +/- 2.90   0.170% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    LYS+  81  13.40 +/- 3.68   4.008% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  19.49 +/- 4.55   0.393% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LYS+  81  22.99 +/- 4.83   0.668% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LYS+  81  21.61 +/- 4.86   0.190% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  20.31 +/- 3.41   0.186% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  23.58 +/- 3.76   0.125% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  21.16 +/- 5.16   0.241% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  27.51 +/- 4.78   0.077% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  23.69 +/- 2.72   0.099% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.54 +/- 2.46   0.048% *  0.0151% (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 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 111.2:
    * O T QG    LYS+  81 - HA    LYS+  81   2.69 +/- 0.56  95.215% * 98.1658% (1.00  10.0 10.00   5.22 111.24) =  99.963%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  20.01 +/- 5.42   3.388% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.035%
        T HG2   LYS+  33 - HA    LYS+  81  25.10 +/- 4.45   0.189% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HA    LYS+  81  15.08 +/- 1.63   0.810% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  22.50 +/- 4.10   0.398% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.10 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 111.2:
    *   T QD    LYS+  81 - HA    LYS+  81   3.44 +/- 0.81  96.034% * 99.7569% (1.00 10.00   3.44 111.24) =  99.996%  kept
          HB    VAL   43 - HA    LYS+  81  14.54 +/- 3.18   2.919% *  0.0989% (0.99  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HA    LYS+  81  24.83 +/- 4.00   0.491% *  0.0995% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+  81  26.53 +/- 7.01   0.556% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 111.2:
    *   T QE    LYS+  81 - HA    LYS+  81   3.89 +/- 0.52  96.566% * 99.9825% (1.00 10.00   3.44 111.24) =  99.999%  kept
          HB3   TRP   49 - HA    LYS+  81  16.59 +/- 4.61   3.434% *  0.0175% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 5.20 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 = 111.2:
    * O T HA    LYS+  81 - QB    LYS+  81   2.36 +/- 0.16  94.436% * 98.7606% (1.00  10.0 10.00   5.16 111.24) =  99.995%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.73 +/- 0.38   2.856% *  0.0733% (0.07   1.0 10.00   0.02   1.91) =   0.002%
        T HA    ARG+  54 - QB    LYS+  81  18.56 +/- 3.34   0.273% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  19.49 +/- 4.55   0.420% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - QB    LYS+  81  21.81 +/- 2.93   0.156% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  13.93 +/- 2.39   0.652% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  18.74 +/- 5.73   0.484% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  26.59 +/- 3.71   0.083% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  31.07 +/- 3.26   0.047% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  21.23 +/- 3.76   0.229% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  21.65 +/- 1.49   0.135% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  24.78 +/- 3.46   0.117% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  33.37 +/- 3.71   0.041% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  27.16 +/- 3.09   0.072% *  0.0020% (0.02   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 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 = 5.46, residual support = 111.2:
    * O T QG    LYS+  81 - QB    LYS+  81   2.08 +/- 0.03  95.691% * 97.8497% (1.00  10.0 10.00   5.46 111.24) =  99.978%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  19.11 +/- 5.30   1.915% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.020%
        T HG2   LYS+  33 - QB    LYS+  81  22.85 +/- 4.28   0.101% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  18.67 +/- 4.72   0.535% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 106 - HB3   PRO   52  18.66 +/- 4.33   0.316% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.16 +/- 1.90   0.358% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  30.23 +/- 2.27   0.034% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  21.61 +/- 4.03   0.136% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  12.57 +/- 2.80   0.742% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  18.96 +/- 3.15   0.171% *  0.0025% (0.03   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 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 111.2:
    * O T QD    LYS+  81 - QB    LYS+  81   2.24 +/- 0.18  97.220% * 99.6151% (1.00  10.0 10.00   3.93 111.24) =  99.998%  kept
          HB    VAL   43 - QB    LYS+  81  14.20 +/- 3.29   1.154% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HB3   PRO   52  19.06 +/- 4.56   0.620% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QB    LYS+  81  23.05 +/- 3.99   0.371% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  24.27 +/- 6.60   0.172% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.64 +/- 2.39   0.273% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.58 +/- 4.09   0.113% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  28.06 +/- 4.24   0.076% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 111.2:
    *     QE    LYS+  81 - QB    LYS+  81   2.80 +/- 0.68  94.138% * 99.8425% (1.00   3.93 111.24) =  99.997%  kept
          HB3   TRP   49 - QB    LYS+  81  16.10 +/- 4.64   1.543% *  0.0890% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  81 - HB3   PRO   52  18.97 +/- 4.64   1.252% *  0.0583% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52  10.20 +/- 1.07   3.067% *  0.0102% (0.02   0.02   2.99) =   0.000%
    Distance limit 5.01 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 = 5.22, residual support = 111.2:
    * O T HA    LYS+  81 - QG    LYS+  81   2.69 +/- 0.56  80.046% * 98.8267% (1.00  10.0 10.00   5.22 111.24) =  99.986%  kept
        T HA    LYS+  81 - HG2   LYS+ 106  20.01 +/- 5.42   2.842% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.008%
          HA    GLU-  36 - HG2   LYS+  33   8.05 +/- 0.54   4.085% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG2   LYS+  33  24.15 +/- 6.65   2.333% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG2   LYS+  33  25.10 +/- 4.45   0.158% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG    LYS+  81  18.26 +/- 2.93   0.516% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.48 +/- 0.59   3.499% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  18.99 +/- 5.44   0.833% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  26.69 +/- 3.69   0.130% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  18.68 +/- 4.18   0.761% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  20.84 +/- 3.75   0.562% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  30.93 +/- 3.48   0.088% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.81 +/- 2.72   1.696% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  21.73 +/- 3.22   0.331% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  17.41 +/- 2.78   0.671% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  25.71 +/- 2.96   0.158% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  21.63 +/- 4.48   0.290% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.23 +/- 2.12   0.176% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  22.34 +/- 3.27   0.207% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  19.17 +/- 4.61   0.394% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  21.59 +/- 3.49   0.225% *  0.0034% (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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.79, support = 5.49, residual support = 123.2:
    * O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  34.397% * 56.3222% (1.00  10.0 10.00   5.46 111.24) =  65.903%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.29 +/- 0.10  26.267% * 26.0240% (0.46  10.0 10.00   5.64 153.21) =  23.254%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.33 +/- 0.12  25.066% * 12.3649% (0.22  10.0 10.00   5.37 134.86) =  10.544%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.17 +/- 1.11   3.120% *  2.6333% (0.20   1.0  1.00   4.74  23.85) =   0.279%  kept
        T QB    LYS+ 106 - QG    LYS+  81  16.90 +/- 4.13   0.433% *  0.5620% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T QB    LYS+  81 - HG2   LYS+ 106  19.11 +/- 5.30   0.733% *  0.1239% (0.22   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QG    LYS+  81  21.75 +/- 5.15   1.141% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - QG    LYS+  81  10.86 +/- 3.04   0.488% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.04 +/- 0.53   2.691% *  0.0101% (0.18   1.0  1.00   0.02   0.53) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  21.60 +/- 3.51   0.041% *  0.5435% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   6.21 +/- 1.23   1.969% *  0.0104% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - QG    LYS+  81  18.67 +/- 4.72   0.202% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG    LYS+  81  13.59 +/- 3.78   1.091% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.67 +/- 1.84   0.044% *  0.2691% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  22.85 +/- 4.28   0.037% *  0.2697% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  20.03 +/- 2.09   0.042% *  0.1196% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.80 +/- 1.52   0.309% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  19.42 +/- 3.76   0.098% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.57 +/- 4.67   0.079% *  0.0470% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  19.01 +/- 3.29   0.066% *  0.0489% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.59 +/- 4.61   0.066% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  18.66 +/- 4.33   0.112% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.86 +/- 2.87   0.079% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  22.61 +/- 5.69   0.387% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.61 +/- 4.74   0.075% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.93 +/- 3.61   0.057% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.84 +/- 3.12   0.051% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.37 +/- 2.13   0.104% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.21 +/- 4.56   0.026% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  20.62 +/- 4.07   0.072% *  0.0107% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  19.37 +/- 3.10   0.061% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  30.23 +/- 2.27   0.012% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.98 +/- 2.80   0.024% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.35 +/- 3.02   0.018% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.48 +/- 3.87   0.015% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.22 +/- 1.70   0.126% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.99 +/- 3.39   0.038% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.85 +/- 2.36   0.046% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.08 +/- 3.22   0.038% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  19.12 +/- 3.27   0.054% *  0.0047% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.52 +/- 4.40   0.048% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  27.39 +/- 2.96   0.018% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.67 +/- 2.92   0.087% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.16 +/- 2.91   0.021% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  20.22 +/- 3.95   0.051% *  0.0019% (0.03   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 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 = 4.08, residual support = 111.2:
    * O T QD    LYS+  81 - QG    LYS+  81   2.07 +/- 0.03  90.224% * 98.8994% (1.00  10.0 10.00   4.08 111.24) =  99.995%  kept
        T QD    LYS+  81 - HG2   LYS+ 106  19.95 +/- 5.85   0.506% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG2   LYS+  33  12.28 +/- 2.96   4.511% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QG    LYS+  81  14.25 +/- 3.43   0.778% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   43 - HG2   LYS+ 106   9.68 +/- 2.28   2.009% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  24.24 +/- 4.50   0.083% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  15.43 +/- 5.06   0.503% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.97 +/- 1.38   0.756% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.64 +/- 2.64   0.290% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.19 +/- 4.07   0.137% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  24.11 +/- 6.54   0.122% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.94 +/- 3.39   0.081% *  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 = 4.08, residual support = 111.2:
    * O   QE    LYS+  81 - QG    LYS+  81   2.19 +/- 0.16  96.052% * 99.9005% (1.00  10.0   4.08 111.24) =  99.999%  kept
          QE    LYS+  81 - HG2   LYS+ 106  20.21 +/- 5.95   1.732% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - QG    LYS+  81  15.83 +/- 4.82   1.069% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  24.49 +/- 4.48   0.103% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  21.41 +/- 6.68   0.995% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.73 +/- 3.10   0.049% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 111.2:
    *   T HA    LYS+  81 - QD    LYS+  81   3.44 +/- 0.81  94.054% * 99.7133% (1.00 10.00   3.44 111.24) =  99.998%  kept
          HA    ARG+  54 - QD    LYS+  81  18.96 +/- 2.91   1.150% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD    LYS+  81  20.05 +/- 5.90   2.463% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.85 +/- 4.03   0.312% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  22.00 +/- 4.03   1.192% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  31.85 +/- 3.85   0.206% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  22.52 +/- 3.52   0.623% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 111.2:
    * O T QB    LYS+  81 - QD    LYS+  81   2.24 +/- 0.18  83.107% * 98.9997% (1.00  10.0 10.00   3.93 111.24) =  99.988%  kept
          HB2   MET   92 - QD    LYS+  81  14.11 +/- 3.96   9.014% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QD    LYS+  81  22.50 +/- 5.49   2.144% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - QD    LYS+  81  17.42 +/- 4.60   1.853% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   90 - QD    LYS+  81  10.98 +/- 3.21   1.836% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   52 - QD    LYS+  81  19.06 +/- 4.56   0.483% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QD    LYS+  81  21.25 +/- 5.18   0.308% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  20.12 +/- 3.72   0.280% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  19.66 +/- 3.24   0.201% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  24.67 +/- 4.82   0.189% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  22.68 +/- 3.91   0.118% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  20.82 +/- 5.16   0.212% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  26.31 +/- 4.68   0.083% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  22.93 +/- 3.45   0.115% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  28.35 +/- 3.31   0.056% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 111.2:
    * O T QG    LYS+  81 - QD    LYS+  81   2.07 +/- 0.03  98.847% * 98.1658% (1.00  10.0 10.00   4.08 111.24) =  99.994%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  19.95 +/- 5.85   0.554% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  33 - QD    LYS+  81  24.24 +/- 4.50   0.090% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  81  15.19 +/- 2.18   0.327% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  22.10 +/- 4.70   0.181% *  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 = 111.2:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  99.480% * 99.9825% (1.00  10.0   3.00 111.24) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  16.32 +/- 4.58   0.520% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 111.2:
    *   T HA    LYS+  81 - QE    LYS+  81   3.89 +/- 0.52  94.429% * 99.7133% (1.00 10.00   3.44 111.24) =  99.998%  kept
          HA    ARG+  54 - QE    LYS+  81  18.78 +/- 2.81   1.277% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    LYS+  81  20.36 +/- 5.71   2.193% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  28.16 +/- 3.90   0.320% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.93 +/- 3.71   0.216% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  22.00 +/- 3.74   0.890% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  22.71 +/- 3.43   0.675% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.13 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   2.65 +/- 0.25  82.835% * 97.1708% (0.95  10.0 10.00   2.96  34.69) =  99.974%  kept
        T HA    SER   48 - HA    SER   82  17.02 +/- 4.31   0.664% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   SER   82 - HA    GLU-  25  20.71 +/- 9.49   1.714% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA   88 - HA    SER   82   9.14 +/- 1.65   4.526% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - HA    GLU-  25   7.10 +/- 0.51   4.974% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  25.04 +/- 5.06   0.408% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T HA    VAL   70 - HA    SER   82  25.00 +/- 3.08   0.125% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  19.48 +/- 1.52   0.238% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  25.27 +/- 7.59   0.308% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.65 +/- 4.70   0.491% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  12.08 +/- 0.82   0.967% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  15.50 +/- 1.82   0.694% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.59 +/- 0.94   0.688% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  26.06 +/- 6.34   0.217% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  25.28 +/- 8.35   0.174% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  27.91 +/- 5.77   0.133% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  26.16 +/- 6.05   0.401% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  25.66 +/- 6.31   0.176% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  27.09 +/- 2.14   0.087% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  27.74 +/- 4.26   0.179% *  0.0175% (0.17   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 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 +/- 0.22  83.411% * 98.8194% (1.00  10.0 10.00   2.00  34.69) =  99.985%  kept
        T HB3   SER   82 - HA    GLU-  25  20.56 +/- 9.58   2.315% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.009%
          HA    ILE   89 - HA    SER   82  10.72 +/- 0.89   1.732% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HA    GLU-  25  19.47 +/- 4.80   3.618% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  18.91 +/- 3.17   0.389% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.72 +/- 0.49   2.228% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  23.69 +/- 6.34   3.414% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.62 +/- 5.12   0.443% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  29.74 +/- 6.54   0.259% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  24.79 +/- 6.72   0.319% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  24.67 +/- 4.05   0.263% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  26.87 +/- 4.38   0.150% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.70 +/- 1.62   0.479% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.52 +/- 2.65   0.374% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  28.25 +/- 5.17   0.131% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  24.60 +/- 4.94   0.209% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  25.47 +/- 3.52   0.146% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  29.10 +/- 4.27   0.121% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.65 +/- 0.25  83.104% * 97.8439% (0.95  10.0 10.00   2.96  34.69) =  99.978%  kept
        T HA    GLU-  25 - HB2   SER   82  20.71 +/- 9.49   1.724% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.013%
        T HA    SER   82 - HA    SER   48  17.02 +/- 4.31   0.668% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  25 - HA    SER   48  25.04 +/- 5.06   0.401% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HA    ILE   19 - HA    VAL   70  11.16 +/- 3.77   4.404% *  0.0128% (0.12   1.0  1.00   0.02   0.16) =   0.001%
        T HA    GLU-  25 - HA    VAL   70  19.48 +/- 1.52   0.239% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HA    SER   48   8.96 +/- 2.09   4.682% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  25.00 +/- 3.08   0.126% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - HA    SER   48  16.26 +/- 5.46   2.050% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.90 +/- 1.70   1.379% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  23.50 +/- 7.61   0.255% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  20.39 +/- 3.66   0.297% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  23.74 +/- 3.06   0.143% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  23.13 +/- 5.16   0.176% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  19.38 +/- 2.79   0.352% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  77.752% * 96.7159% (0.95  10.0 10.00   2.33  34.69) =  99.979%  kept
        T HB3   SER   37 - HA    VAL   70  10.17 +/- 2.92   2.796% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.009%
        T HD3   PRO   52 - HA    SER   48   8.63 +/- 1.28   0.972% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   SER   82 - HA    SER   48  17.31 +/- 4.49   0.266% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HA    SER   48   6.61 +/- 2.06  11.862% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - HA    VAL   70   7.39 +/- 2.56   3.206% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  21.57 +/- 5.06   0.091% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    VAL   70  14.40 +/- 2.57   0.187% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HB2   SER   82  11.89 +/- 1.24   0.323% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  11.70 +/- 2.84   0.498% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.70 +/- 3.33   0.038% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  14.05 +/- 3.75   1.004% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  24.58 +/- 2.65   0.034% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  23.46 +/- 7.29   0.108% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  28.65 +/- 6.79   0.068% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.38 +/- 1.73   0.283% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  25.65 +/- 4.86   0.042% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  26.97 +/- 5.75   0.035% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  19.42 +/- 3.32   0.095% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  28.06 +/- 4.05   0.027% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  19.42 +/- 2.85   0.071% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.11 +/- 2.33   0.026% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  24.28 +/- 3.73   0.046% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  25.11 +/- 3.97   0.034% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  25.64 +/- 2.64   0.029% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.12 +/- 2.80   0.021% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  19.03 +/- 2.58   0.084% *  0.0066% (0.07   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 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 +/- 0.22  96.161% * 99.1601% (1.00  10.0 10.00   2.00  34.69) =  99.982%  kept
        T HA    GLU-  25 - HB3   SER   82  20.56 +/- 9.58   2.664% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.017%
        T HA    CYS   53 - HB3   SER   82  19.89 +/- 3.68   0.476% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  23.23 +/- 7.71   0.442% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  23.33 +/- 3.25   0.257% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  87.792% * 97.6038% (0.95  10.0 10.00   2.33  34.69) =  99.985%  kept
          HA    ALA   88 - HB3   SER   82  10.42 +/- 2.43  11.336% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.010%
        T HA    SER   48 - HB3   SER   82  17.31 +/- 4.49   0.299% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - HB3   SER   82  19.99 +/- 4.84   0.145% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HB3   SER   82  23.70 +/- 3.33   0.043% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  23.82 +/- 8.16   0.138% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  23.94 +/- 8.61   0.081% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  24.70 +/- 6.69   0.085% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  26.39 +/- 6.31   0.053% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  26.43 +/- 2.56   0.028% *  0.0424% (0.41   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 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   2.90 +/- 0.17  93.547% * 96.5761% (0.90  10.0 10.00   3.97  85.24) =  99.978%  kept
        T QD    LYS+  65 - HA    VAL   83  19.42 +/- 4.09   0.711% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HD2   LYS+  74 - HA    VAL   83  16.56 +/- 2.84   0.662% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - HA    VAL   83  23.81 +/- 6.56   0.360% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   57 - HA    VAL   83  17.26 +/- 2.40   0.532% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   93 - HA    VAL   83  15.10 +/- 2.78   2.382% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    VAL   83  21.08 +/- 6.83   0.639% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  22.20 +/- 4.59   0.428% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  27.00 +/- 4.37   0.157% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  23.22 +/- 5.81   0.389% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  29.58 +/- 3.15   0.102% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  30.55 +/- 3.18   0.091% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 85.2:
    * O T QG1   VAL   83 - HA    VAL   83   2.45 +/- 0.36  81.903% * 99.1111% (0.87  10.0 10.00   4.18  85.24) =  99.939%  kept
          QD2   LEU   80 - HA    VAL   83   6.15 +/- 1.27   8.047% *  0.5689% (0.80   1.0  1.00   0.12   0.14) =   0.056%
          QG2   ILE   89 - HA    VAL   83   5.99 +/- 0.58   7.782% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - HA    VAL   83  14.41 +/- 4.28   1.301% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   83  19.36 +/- 4.44   0.246% *  0.1103% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  18.25 +/- 2.38   0.295% *  0.0873% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  17.37 +/- 3.69   0.426% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 85.1:
    * O T QG2   VAL   83 - HA    VAL   83   2.51 +/- 0.26  85.859% * 98.4515% (1.00  10.0 10.00   4.36  85.24) =  99.793%  kept
          QD1   ILE   89 - HA    VAL   83   5.76 +/- 1.32  11.729% *  1.4770% (0.90   1.0  1.00   0.33   0.02) =   0.205%  kept
          QD2   LEU   31 - HA    VAL   83  16.12 +/- 6.06   2.412% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.17 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   2.90 +/- 0.17  98.237% * 97.8171% (0.90  10.0 10.00   3.97  85.24) =  99.992%  kept
        T HA    GLU- 100 - HB    VAL   83  23.09 +/- 5.94   0.409% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.004%
        T HD2   PRO   58 - HB    VAL   83  20.78 +/- 2.12   0.292% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HB    VAL   83  24.03 +/- 5.59   0.304% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB    VAL   83  15.90 +/- 2.32   0.758% *  0.0439% (0.40   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 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.26, residual support = 85.1:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.02  72.770% * 99.1111% (0.78  10.0 10.00   4.27  85.24) =  99.864%  kept
          QD2   LEU   80 - HB    VAL   83   4.58 +/- 1.41  16.605% *  0.5689% (0.72   1.0  1.00   0.12   0.14) =   0.131%  kept
          QG2   ILE   89 - HB    VAL   83   5.54 +/- 1.38   8.905% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - HB    VAL   83  13.02 +/- 3.72   1.059% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB    VAL   83  16.00 +/- 3.48   0.368% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  19.03 +/- 3.58   0.133% *  0.1103% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  17.33 +/- 2.18   0.160% *  0.0873% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.43, residual support = 85.0:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.02  82.386% * 98.4515% (0.90  10.0 10.00   4.44  85.24) =  99.699%  kept
          QD1   ILE   89 - HB    VAL   83   6.01 +/- 1.82  16.536% *  1.4770% (0.80   1.0  1.00   0.33   0.02) =   0.300%  kept
          QD2   LEU   31 - HB    VAL   83  15.09 +/- 5.18   1.078% *  0.0715% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.45 +/- 0.36  97.471% * 99.7372% (0.87  10.0 10.00   4.18  85.24) =  99.998%  kept
          HB2   CYS   53 - QG1   VAL   83  13.99 +/- 2.03   1.262% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU- 100 - QG1   VAL   83  18.78 +/- 5.81   0.518% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG1   VAL   83  17.91 +/- 1.78   0.413% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  19.73 +/- 5.39   0.336% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.27, residual support = 85.2:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.02  88.363% * 99.3915% (0.78  10.0 10.00   4.27  85.24) =  99.995%  kept
          HG3   PRO   93 - QG1   VAL   83  12.28 +/- 2.65   7.878% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - QG1   VAL   83  14.94 +/- 3.68   0.948% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QG1   VAL   83  12.36 +/- 3.04   0.703% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QG1   VAL   83  18.76 +/- 5.46   0.275% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  18.48 +/- 4.10   0.466% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  13.92 +/- 1.97   0.416% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  17.35 +/- 5.14   0.357% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  21.65 +/- 3.55   0.118% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  17.99 +/- 4.86   0.339% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  23.75 +/- 2.70   0.073% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  24.54 +/- 2.64   0.065% *  0.0219% (0.17   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 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 4.58, residual support = 83.9:
    * O T QG2   VAL   83 - QG1   VAL   83   2.05 +/- 0.06  86.650% * 86.8996% (0.87  10.0 10.00   4.64  85.24) =  98.462%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.52 +/- 1.32   9.003% * 13.0373% (0.78   1.0 10.00   0.33   0.02) =   1.535%  kept
          QD2   LEU   31 - QG1   VAL   83  12.42 +/- 4.90   4.348% *  0.0631% (0.63   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 2.67 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 = 4.36, residual support = 85.2:
    * O T HA    VAL   83 - QG2   VAL   83   2.51 +/- 0.26  97.451% * 99.7372% (1.00  10.0 10.00   4.36  85.24) =  99.998%  kept
          HA    GLU- 100 - QG2   VAL   83  18.90 +/- 5.61   0.569% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG2   VAL   83  12.79 +/- 2.00   1.175% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG2   VAL   83  16.82 +/- 2.17   0.420% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  19.92 +/- 5.11   0.384% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.44, residual support = 85.2:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.02  93.905% * 99.3915% (0.90  10.0 10.00   4.44  85.24) =  99.996%  kept
          QD    LYS+  65 - QG2   VAL   83  14.86 +/- 3.74   1.021% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QG2   VAL   83  12.34 +/- 2.99   0.846% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QG2   VAL   83  11.13 +/- 2.38   1.942% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QG2   VAL   83  13.01 +/- 2.14   0.622% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  18.92 +/- 5.29   0.288% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  17.22 +/- 4.08   0.415% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  17.14 +/- 5.17   0.379% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  20.87 +/- 3.78   0.142% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  18.38 +/- 4.57   0.276% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  22.98 +/- 3.00   0.087% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  23.80 +/- 2.97   0.077% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.858, support = 4.58, residual support = 84.0:
    * O T QG1   VAL   83 - QG2   VAL   83   2.05 +/- 0.06  66.941% * 94.5838% (0.87  10.0 10.00   4.64  85.24) =  98.571%  kept
        T QG2   ILE   89 - QG2   VAL   83   3.89 +/- 1.12  18.569% *  4.5950% (0.25   1.0 10.00   0.34   0.02) =   1.328%  kept
          QD2   LEU   80 - QG2   VAL   83   4.91 +/- 1.21  11.652% *  0.5429% (0.80   1.0  1.00   0.12   0.14) =   0.098%
          QD1   LEU   73 - QG2   VAL   83  10.93 +/- 3.40   1.543% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - QG2   VAL   83  13.02 +/- 3.33   0.758% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QG2   VAL   83  15.34 +/- 3.58   0.240% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  13.83 +/- 2.42   0.299% *  0.0833% (0.76   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 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 = 2.79, residual support = 17.7:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  92.436% * 99.1332% (0.93  10.0 10.00   2.79  17.71) =  99.994%  kept
          HB3   LEU   80 - HA    ALA   84   7.22 +/- 1.25   3.354% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HA    ALA   84  13.99 +/- 3.79   1.489% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    ALA   84  13.51 +/- 2.28   0.459% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  19.24 +/- 5.88   0.293% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  18.10 +/- 5.32   0.539% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  20.22 +/- 2.87   0.158% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  22.65 +/- 5.62   0.153% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  20.29 +/- 3.92   0.169% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  17.81 +/- 3.22   0.225% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  27.24 +/- 2.06   0.046% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  20.94 +/- 2.56   0.115% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  19.12 +/- 3.74   0.188% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  24.47 +/- 6.05   0.099% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  21.11 +/- 3.94   0.140% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  25.60 +/- 5.24   0.078% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  27.99 +/- 5.63   0.059% *  0.0180% (0.17   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 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.79, residual support = 17.7:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  98.188% * 99.6067% (0.93  10.0 10.00   2.79  17.71) =  99.998%  kept
          HB2   TRP   49 - QB    ALA   84  13.72 +/- 3.12   0.835% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QB    ALA   84  15.39 +/- 3.81   0.766% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QB    ALA   84  21.16 +/- 2.04   0.108% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  21.70 +/- 2.35   0.103% *  0.1030% (0.96   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 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.38 +/- 0.13  70.795% * 98.0072% (1.00  10.0 10.00   2.26  18.04) =  99.976%  kept
        T QB    SER   48 - HA    SER   85  13.66 +/- 4.17   1.236% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.011%
          HA    ALA   88 - HA    SER   85   4.84 +/- 1.92  25.714% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.010%
        T HD2   PRO   52 - HA    SER   85  17.70 +/- 3.69   0.259% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.002%
        T HA2   GLY   51 - HA    SER   85  19.91 +/- 3.65   0.168% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   85  13.90 +/- 3.91   1.017% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    SER   85  24.50 +/- 2.84   0.075% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  24.40 +/- 3.40   0.082% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.71 +/- 3.62   0.461% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  33.43 +/- 7.98   0.043% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  31.27 +/- 2.88   0.034% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  28.39 +/- 6.54   0.084% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  32.10 +/- 3.61   0.033% *  0.0403% (0.41   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 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.993, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.38 +/- 0.13  60.158% * 91.4155% (1.00  10.0 10.00   2.26  18.04) =  98.823%  kept
          HA    ASP-  86 - QB    SER   85   4.12 +/- 0.30  12.901% *  4.9688% (0.38   1.0  1.00   2.90  13.48) =   1.152%  kept
        T HA    SER   85 - QB    SER   48  13.66 +/- 4.17   1.022% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ILE  103 - QB    SER   85  20.11 +/- 6.13   0.200% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.003%
        T HA1   GLY   51 - QB    SER   48   8.33 +/- 0.73   1.624% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   85  10.79 +/- 2.96   1.814% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - QB    SER   48  13.55 +/- 5.12   8.807% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.002%
        T HA1   GLY   51 - QB    SER   85  18.40 +/- 3.75   0.197% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    SER   48  10.01 +/- 3.97   2.949% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  14.78 +/- 2.57   0.361% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.78 +/- 0.62   0.682% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  20.63 +/- 3.60   0.179% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  25.74 +/- 4.61   0.066% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  15.38 +/- 3.32   0.386% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER  117  17.97 +/- 4.33   0.387% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    SER   48  11.72 +/- 3.85   4.142% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.38 +/- 2.80   0.247% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.03 +/- 1.38   0.613% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  18.88 +/- 3.62   0.819% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  23.87 +/- 2.74   0.073% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  24.50 +/- 2.84   0.063% *  0.1410% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.18 +/- 1.51   0.410% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  15.14 +/- 3.90   0.529% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  34.35 +/- 6.43   0.039% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.07 +/- 3.22   0.139% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  29.84 +/- 7.00   0.078% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.55 +/- 1.58   0.572% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  33.15 +/- 6.74   0.046% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  23.47 +/- 3.44   0.106% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  31.46 +/- 5.76   0.039% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  29.75 +/- 4.54   0.042% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  26.78 +/- 5.95   0.069% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  30.13 +/- 5.88   0.048% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  24.04 +/- 3.68   0.077% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  24.49 +/- 2.89   0.067% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  27.88 +/- 3.83   0.048% *  0.0058% (0.06   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 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 = 3.55, residual support = 42.4:
    * O T HB2   ASP-  86 - HA    ASP-  86   2.87 +/- 0.22  96.462% * 99.6568% (1.00  10.0 10.00   3.55  42.44) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  24.72 +/- 8.85   1.420% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    ASP-  86  22.38 +/- 4.79   0.349% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  29.04 +/- 7.43   0.322% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  14.00 +/- 1.65   1.173% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  26.27 +/- 6.22   0.273% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 42.4:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.78 +/- 0.22  93.178% * 98.9853% (1.00  10.0 10.00   2.31  42.44) =  99.995%  kept
          HB3   PHE   45 - HA    ASP-  86  12.83 +/- 3.48   4.470% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   ASP-  62 - HA    ASP-  86  25.25 +/- 3.79   0.165% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HA    ASP-  86  16.72 +/- 6.79   1.070% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  28.42 +/- 8.79   0.327% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  20.46 +/- 3.14   0.295% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  19.43 +/- 4.75   0.402% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  31.79 +/- 6.45   0.093% *  0.0173% (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 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.54, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   2.87 +/- 0.22  81.469% * 94.7252% (1.00  10.0 10.00   3.55  42.44) =  99.347%  kept
          HA    SER   85 - HB2   ASP-  86   5.88 +/- 0.34  10.350% *  4.8671% (0.38   1.0  1.00   2.74  13.48) =   0.648%  kept
          HB    THR   77 - HB2   ASP-  86  11.15 +/- 3.25   5.350% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB2   ASP-  86  14.87 +/- 4.15   1.308% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB2   ASP-  86  22.45 +/- 6.99   0.368% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  31.73 +/- 8.09   0.215% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  19.67 +/- 7.43   0.755% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  35.65 +/- 7.80   0.106% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  37.21 +/- 7.42   0.077% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 42.4:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  95.887% * 99.6638% (1.00  10.0 10.00   2.84  42.44) =  99.998%  kept
          HB3   PHE   45 - HB2   ASP-  86  11.04 +/- 3.53   3.246% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HB2   ASP-  86  15.21 +/- 6.59   0.432% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  26.78 +/- 8.43   0.107% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  19.33 +/- 3.06   0.099% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  23.43 +/- 3.78   0.053% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  17.99 +/- 4.61   0.143% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  30.05 +/- 6.26   0.032% *  0.0175% (0.18   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 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 2.31, residual support = 42.3:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.78 +/- 0.22  85.143% * 94.7252% (1.00  10.0 10.00   2.31  42.44) =  99.398%  kept
          HA    SER   85 - HB3   ASP-  86   5.96 +/- 0.44   9.992% *  4.8672% (0.38   1.0  1.00   2.74  13.48) =   0.599%  kept
          HB    THR   77 - HB3   ASP-  86  11.27 +/- 2.79   2.365% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   ASP-  86  14.83 +/- 3.80   1.313% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB3   ASP-  86  22.29 +/- 6.70   0.302% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  31.62 +/- 8.06   0.168% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  19.59 +/- 7.08   0.557% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  35.53 +/- 7.93   0.091% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  37.11 +/- 7.61   0.069% *  0.0461% (0.49   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 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 42.4:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  98.891% * 99.6568% (1.00  10.0 10.00   2.84  42.44) =  99.999%  kept
          HB2   ASN   28 - HB3   ASP-  86  23.05 +/- 8.56   0.495% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  20.70 +/- 4.71   0.114% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  27.28 +/- 7.29   0.084% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  12.55 +/- 1.63   0.339% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  24.56 +/- 6.22   0.077% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.27 +/- 0.09  99.557% * 99.9010% (1.00  10.0 10.00   4.31  74.40) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  19.70 +/- 4.01   0.443% *  0.0990% (0.99   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 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   2.90 +/- 0.15  99.516% * 99.8563% (1.00  10.0 10.00   4.31  74.40) = 100.000%  kept
          HG3   GLN  116 - HA    TRP   87  26.07 +/- 3.25   0.159% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    TRP   87  26.95 +/- 7.30   0.325% *  0.0448% (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 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   2.27 +/- 0.09  99.455% * 99.8808% (1.00  10.0 10.00   4.31  74.40) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  21.85 +/- 7.53   0.321% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  22.59 +/- 3.67   0.158% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  33.39 +/- 7.96   0.066% *  0.0135% (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 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  99.893% * 99.8563% (1.00  10.0 10.00   4.00  74.40) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  24.75 +/- 3.69   0.045% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  26.57 +/- 6.94   0.063% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.90 +/- 0.15  99.010% * 99.3033% (1.00  10.0 10.00   4.31  74.40) =  99.998%  kept
        T HA    PHE   59 - HB3   TRP   87  21.56 +/- 3.27   0.286% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  104 - HB3   TRP   87  21.86 +/- 6.60   0.543% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  32.55 +/- 7.65   0.161% *  0.0134% (0.14   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 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  99.810% * 99.9010% (1.00  10.0 10.00   4.00  74.40) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  17.49 +/- 3.78   0.190% *  0.0990% (0.99   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 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 = 12.1:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  94.569% * 99.6403% (1.00  10.0 10.00   2.32  12.06) =  99.997%  kept
          QG2   THR   77 - HA    ALA   88   9.39 +/- 2.35   2.098% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    ALA   88  11.30 +/- 2.23   2.875% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ALA   88  20.36 +/- 3.40   0.135% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  27.67 +/- 6.32   0.076% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  25.79 +/- 5.83   0.102% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  31.07 +/- 5.86   0.043% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  22.67 +/- 3.34   0.101% *  0.0175% (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 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 2.31, residual support = 12.0:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  87.975% * 97.3461% (1.00  10.0 10.00   2.32  12.06) =  99.938%  kept
        T HB2   SER   82 - QB    ALA   88  10.58 +/- 1.90   4.621% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.030%
        T HA    SER   48 - QB    ALA   88  11.42 +/- 3.72   2.240% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.023%
        T HD2   PRO   52 - QB    ALA   88  12.77 +/- 2.60   0.671% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.007%
          QB    SER   85 - QB    ALA   88   6.45 +/- 1.02   3.958% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QB    ALA   88  25.01 +/- 4.82   0.086% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  23.60 +/- 6.38   0.102% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  20.95 +/- 3.81   0.143% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  24.77 +/- 5.00   0.087% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  26.81 +/- 4.35   0.059% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  28.71 +/- 6.64   0.058% *  0.0271% (0.28   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 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.3:
    * O T HB    ILE   89 - HA    ILE   89   2.85 +/- 0.20  93.653% * 99.6008% (0.80  10.0 10.00   5.44 215.30) =  99.992%  kept
        T HB    VAL   43 - HA    ILE   89  13.88 +/- 3.65   2.162% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          QD    LYS+  81 - HA    ILE   89  10.56 +/- 1.87   2.709% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  14.03 +/- 1.94   0.975% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  24.65 +/- 4.78   0.245% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  24.26 +/- 4.78   0.257% *  0.0192% (0.15   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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 215.3:
    * O T QG2   ILE   89 - HA    ILE   89   2.29 +/- 0.29  97.045% * 99.9320% (1.00  10.0 10.00   6.45 215.30) =  99.998%  kept
          QG1   VAL   83 - HA    ILE   89   7.91 +/- 0.86   2.723% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    ILE   89  20.06 +/- 3.46   0.232% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 215.3:
    * O T HG12  ILE   89 - HA    ILE   89   3.32 +/- 0.53  95.463% * 99.3078% (1.00  10.0 10.00   5.69 215.30) =  99.996%  kept
          HG3   LYS+ 111 - HA    ILE   89  17.01 +/- 3.22   1.489% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    ILE   89  26.10 +/- 4.73   0.259% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   89  16.98 +/- 2.29   1.058% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  18.33 +/- 3.60   0.791% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  25.58 +/- 3.98   0.313% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  25.18 +/- 3.46   0.324% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  26.00 +/- 5.69   0.302% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.3:
    * O T HA    ILE   89 - HB    ILE   89   2.85 +/- 0.20  87.629% * 99.2091% (0.80  10.0 10.00   5.44 215.30) =  99.991%  kept
        T HA    ILE   89 - HB    VAL   43  13.88 +/- 3.65   2.023% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.005%
          HB3   SER   82 - HB    ILE   89   9.79 +/- 1.36   2.673% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - HB    VAL   43  12.85 +/- 2.63   1.351% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  29.78 +/- 6.00   0.249% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  20.26 +/- 2.28   0.285% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.25 +/- 3.28   1.081% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  14.38 +/- 1.38   0.813% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.73 +/- 4.07   1.091% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  26.15 +/- 4.03   0.161% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  16.61 +/- 2.09   0.585% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  28.16 +/- 4.46   0.127% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  21.32 +/- 2.84   0.297% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  25.09 +/- 5.24   0.240% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  14.74 +/- 3.29   0.989% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.62 +/- 2.29   0.406% *  0.0043% (0.03   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 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 = 215.3:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.02  87.980% * 99.5317% (0.80  10.0 10.00   5.92 215.30) =  99.991%  kept
        T QG2   ILE   89 - HB    VAL   43  10.13 +/- 3.29   2.137% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HB    ILE   89   6.54 +/- 1.31   3.954% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - HB    VAL   43  10.67 +/- 2.08   2.953% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL   43  10.15 +/- 3.70   2.815% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  19.25 +/- 3.60   0.160% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 5.16, residual support = 215.3:
    * O T HG12  ILE   89 - HB    ILE   89   2.66 +/- 0.27  87.509% * 98.9436% (0.80  10.0 10.00   5.16 215.30) =  99.991%  kept
        T HG12  ILE   89 - HB    VAL   43  12.85 +/- 4.11   2.359% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  99 - HB    ILE   89  24.95 +/- 4.92   0.168% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  14.28 +/- 1.45   0.698% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB    ILE   89  17.24 +/- 3.42   0.532% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    VAL   43  10.08 +/- 2.38   2.887% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  15.79 +/- 2.37   0.583% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  18.35 +/- 3.24   0.478% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  16.45 +/- 2.65   0.475% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  13.54 +/- 2.18   0.893% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  13.35 +/- 2.43   0.890% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  14.65 +/- 4.56   1.289% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  24.32 +/- 3.92   0.138% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  24.72 +/- 5.97   0.240% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  23.86 +/- 3.49   0.142% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  16.94 +/- 4.02   0.719% *  0.0067% (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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 215.3:
    * O T HA    ILE   89 - QG2   ILE   89   2.29 +/- 0.29  94.873% * 99.5272% (1.00  10.0 10.00   6.45 215.30) =  99.997%  kept
          HB3   SER   82 - QG2   ILE   89   8.60 +/- 0.94   2.420% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  16.07 +/- 2.29   0.417% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  11.34 +/- 2.38   1.451% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  24.38 +/- 5.12   0.238% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  21.34 +/- 3.45   0.186% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  23.04 +/- 3.84   0.148% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  20.52 +/- 4.25   0.266% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 215.3:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.02  93.609% * 99.0138% (0.80  10.0 10.00   5.92 215.30) =  99.991%  kept
        T HB    VAL   43 - QG2   ILE   89  10.13 +/- 3.29   2.273% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   LYS+  99 - QG2   ILE   89  19.50 +/- 3.74   0.174% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   8.51 +/- 1.66   2.882% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - QG2   ILE   89  19.14 +/- 3.70   0.186% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.79 +/- 1.85   0.875% *  0.0344% (0.28   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 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 = 6.2, residual support = 215.3:
    * O T HG12  ILE   89 - QG2   ILE   89   2.73 +/- 0.39  93.141% * 99.3078% (1.00  10.0 10.00   6.20 215.30) =  99.995%  kept
        T HG3   LYS+  99 - QG2   ILE   89  20.68 +/- 3.64   0.400% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QG2   ILE   89  13.69 +/- 3.03   1.113% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   89  12.58 +/- 2.39   1.939% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QG2   ILE   89  14.55 +/- 3.15   1.962% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QG2   ILE   89  19.68 +/- 3.58   0.453% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  19.33 +/- 3.18   0.425% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  20.08 +/- 5.14   0.567% *  0.0248% (0.25   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 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 0.999, support = 5.68, residual support = 215.2:
    * O T HA    ILE   89 - HG12  ILE   89   3.32 +/- 0.53  69.662% * 98.5945% (1.00  10.0 10.00   5.69 215.30) =  99.940%  kept
        T HB    THR   39 - HG3   LYS+  99  11.13 +/- 6.41   8.500% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.048%
          HB3   SER   82 - HG12  ILE   89   9.54 +/- 1.88   5.636% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HB3   SER   37 - HG3   LYS+  99  13.75 +/- 6.10   3.332% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE   89 - HG3   LYS+  99  26.10 +/- 4.73   0.190% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HG3   LYS+  99  15.44 +/- 5.57   7.251% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HG12  ILE   89  14.69 +/- 3.17   2.153% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  20.46 +/- 2.59   0.355% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  17.52 +/- 3.79   0.865% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  20.51 +/- 5.54   0.728% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  26.24 +/- 4.01   0.202% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  30.11 +/- 5.68   0.191% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  28.28 +/- 4.29   0.160% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  25.19 +/- 5.20   0.217% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  25.37 +/- 5.10   0.378% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.14 +/- 4.18   0.180% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.653, support = 5.24, residual support = 206.2:
    * O T HB    ILE   89 - HG12  ILE   89   2.66 +/- 0.27  31.550% * 78.0851% (0.80  10.0 10.00   5.16 215.30) =  78.153%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.70 +/- 0.30  32.768% * 14.8429% (0.15  10.0  1.00   5.18 173.87) =  15.429%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.64 +/- 0.30  33.105% *  6.1021% (0.06  10.0 10.00   6.40 173.87) =   6.409%  kept
        T HB    VAL   43 - HG12  ILE   89  12.85 +/- 4.11   0.875% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.006%
        T HB    VAL   43 - HG3   LYS+  99  14.28 +/- 1.45   0.218% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  24.95 +/- 4.92   0.054% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89   9.81 +/- 1.58   0.877% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  22.75 +/- 5.45   0.083% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.77 +/- 1.81   0.092% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.15 +/- 2.01   0.240% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.15 +/- 5.63   0.079% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.19 +/- 4.50   0.058% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 6.19, residual support = 214.8:
    * O T QG2   ILE   89 - HG12  ILE   89   2.73 +/- 0.39  64.706% * 98.9396% (1.00  10.0 10.00   6.20 215.30) =  99.765%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.48 +/- 1.45  25.467% *  0.5707% (0.06   1.0  1.00   1.84  18.85) =   0.226%  kept
          QG1   VAL   83 - HG12  ILE   89   6.18 +/- 1.53   8.863% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   ILE   89 - HG3   LYS+  99  20.68 +/- 3.64   0.247% *  0.4013% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG3   LYS+  99  19.55 +/- 4.59   0.364% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  18.90 +/- 4.00   0.353% *  0.0153% (0.15   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 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 = 95.2:
    * O T HB2   GLN   90 - HA    GLN   90   2.55 +/- 0.26  97.717% * 98.5005% (0.78  10.0 10.00   3.96  95.23) =  99.977%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.42 +/- 3.48   1.881% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.023%
          HB3   GLU-  29 - HA    GLN   90  28.24 +/- 4.74   0.111% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  28.69 +/- 3.83   0.092% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  28.10 +/- 4.90   0.118% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  30.19 +/- 4.37   0.080% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 3.95, residual support = 95.2:
    * O T HB3   GLN   90 - HA    GLN   90   2.80 +/- 0.23  86.882% * 99.0333% (0.82  10.0 10.00   3.96  95.23) =  99.988%  kept
          QB    LYS+  81 - HA    GLN   90   9.66 +/- 2.45   4.043% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.005%
          HB2   MET   92 - HA    GLN   90   7.83 +/- 0.87   4.710% *  0.0577% (0.48   1.0  1.00   0.02   0.17) =   0.003%
          QB    LYS+ 106 - HA    GLN   90  15.82 +/- 2.44   0.801% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  15.98 +/- 3.14   0.630% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    GLN   90  26.38 +/- 5.26   1.016% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    GLN   90  15.64 +/- 2.32   0.631% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    GLN   90  21.80 +/- 4.00   0.314% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  22.06 +/- 2.96   0.237% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  23.76 +/- 4.54   0.236% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  26.05 +/- 3.55   0.145% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  29.56 +/- 4.36   0.103% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  20.50 +/- 1.76   0.250% *  0.0366% (0.30   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 95.2:
    * O T QG    GLN   90 - HA    GLN   90   2.71 +/- 0.46  92.499% * 99.3855% (0.88  10.0 10.00   3.59  95.23) =  99.996%  kept
          HB2   ASP-  44 - HA    GLN   90  13.70 +/- 3.17   1.737% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - HA    GLN   90   8.77 +/- 1.17   4.542% *  0.0171% (0.15   1.0  1.00   0.02   0.17) =   0.001%
          HB3   PHE   72 - HA    GLN   90  20.93 +/- 2.70   0.263% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  28.73 +/- 6.97   0.249% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  28.48 +/- 6.53   0.201% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  21.73 +/- 1.32   0.235% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  33.77 +/- 6.54   0.132% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  27.27 +/- 4.74   0.143% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.2:
    * O T HA    GLN   90 - HB2   GLN   90   2.55 +/- 0.26  93.679% * 98.8405% (0.78  10.0 10.00   3.96  95.23) =  99.984%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.42 +/- 3.48   1.804% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.014%
          HA    ALA  110 - HB2   GLN   90  15.53 +/- 3.61   0.716% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  17.69 +/- 2.76   0.418% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.02 +/- 5.66   0.586% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  15.63 +/- 2.46   0.628% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.01 +/- 4.12   1.388% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  20.10 +/- 2.80   0.300% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.61 +/- 2.96   0.183% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.70 +/- 1.46   0.298% *  0.0156% (0.12   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 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 = 3.97, residual support = 95.2:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  92.400% * 96.7995% (0.67  10.0 10.00   3.98  95.23) =  99.986%  kept
        T HB3   GLN   90 - HB3   GLU-  79  14.12 +/- 3.93   1.130% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.009%
          QB    LYS+  81 - HB3   GLU-  79   7.09 +/- 1.05   2.241% *  0.0752% (0.52   1.0  1.00   0.02   0.60) =   0.002%
          QB    LYS+  81 - HB2   GLN   90  10.50 +/- 2.40   0.761% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   8.54 +/- 1.38   1.239% *  0.0564% (0.39   1.0  1.00   0.02   0.17) =   0.001%
        T HB3   LYS+  38 - HB2   GLN   90  31.24 +/- 4.05   0.020% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  16.56 +/- 3.54   0.164% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  16.69 +/- 2.42   0.143% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  14.67 +/- 3.22   0.331% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.41 +/- 3.23   0.172% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  15.90 +/- 2.46   0.150% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  16.91 +/- 4.34   0.183% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  21.90 +/- 3.74   0.157% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.21 +/- 3.16   0.092% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.51 +/- 4.64   0.140% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  27.71 +/- 5.09   0.094% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  19.75 +/- 2.81   0.080% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  19.38 +/- 2.90   0.083% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  23.02 +/- 3.98   0.058% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  23.75 +/- 4.34   0.054% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  23.18 +/- 2.78   0.050% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.03 +/- 3.24   0.073% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  25.40 +/- 4.23   0.043% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  27.52 +/- 3.29   0.028% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  21.19 +/- 1.87   0.057% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  21.27 +/- 2.36   0.057% *  0.0259% (0.18   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 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.91, residual support = 95.2:
    * O T QG    GLN   90 - HB2   GLN   90   2.39 +/- 0.11  90.337% * 96.7466% (0.72  10.0 10.00   3.91  95.23) =  99.983%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.33 +/- 3.25   1.406% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.011%
        T QB    MET   11 - HB3   GLU-  79  27.57 +/- 5.41   0.162% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  15.12 +/- 2.92   0.678% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB2   GLN   90   9.32 +/- 1.98   3.614% *  0.0166% (0.12   1.0  1.00   0.02   0.17) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  12.14 +/- 1.32   0.775% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB2   GLN   90  35.11 +/- 6.37   0.073% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HB3   GLU-  79  20.10 +/- 5.06   0.264% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HB3   GLU-  79  23.20 +/- 6.16   0.412% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.71 +/- 1.82   0.368% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  22.01 +/- 5.74   0.252% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  28.84 +/- 4.49   0.071% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  22.53 +/- 2.43   0.127% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  30.15 +/- 6.75   0.113% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.51 +/- 3.43   1.000% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  29.90 +/- 6.28   0.094% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  22.65 +/- 1.64   0.114% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  21.70 +/- 2.21   0.140% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 95.2:
    * O T HA    GLN   90 - HB3   GLN   90   2.80 +/- 0.23  97.714% * 99.7400% (0.82  10.0 10.00   3.96  95.23) =  99.998%  kept
          HA    ALA  110 - HB3   GLN   90  15.32 +/- 3.76   1.054% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLN   90  17.64 +/- 2.45   0.454% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  19.94 +/- 2.72   0.367% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  18.43 +/- 1.42   0.411% *  0.0157% (0.13   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 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.97, residual support = 95.2:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  98.698% * 98.2851% (0.67  10.0 10.00   3.98  95.23) =  99.985%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.12 +/- 3.93   1.208% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.014%
        T HB2   LYS+  38 - HB3   GLN   90  31.79 +/- 3.99   0.019% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  29.83 +/- 4.37   0.026% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  30.17 +/- 3.61   0.022% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  29.65 +/- 4.60   0.027% *  0.0744% (0.51   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 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 = 3.91, residual support = 95.2:
    * O T QG    GLN   90 - HB3   GLN   90   2.39 +/- 0.12  95.878% * 99.3855% (0.75  10.0 10.00   3.91  95.23) =  99.998%  kept
          HB2   ASP-  44 - HB3   GLN   90  15.07 +/- 2.92   0.755% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB3   GLN   90   9.10 +/- 1.68   2.562% *  0.0171% (0.13   1.0  1.00   0.02   0.17) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  30.05 +/- 6.87   0.205% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  29.85 +/- 6.43   0.148% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  22.43 +/- 2.47   0.132% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  35.06 +/- 6.57   0.122% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  22.42 +/- 1.47   0.125% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  28.84 +/- 4.40   0.072% *  0.0247% (0.19   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.59, residual support = 95.2:
    * O T HA    GLN   90 - QG    GLN   90   2.71 +/- 0.46  96.908% * 99.7400% (0.88  10.0 10.00   3.59  95.23) =  99.998%  kept
          HA    ALA  110 - QG    GLN   90  14.39 +/- 3.36   1.413% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - QG    GLN   90  16.64 +/- 2.18   0.690% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG    GLN   90  18.02 +/- 2.36   0.451% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  16.84 +/- 1.54   0.538% *  0.0157% (0.14   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.91, residual support = 95.2:
    * O T HB2   GLN   90 - QG    GLN   90   2.39 +/- 0.11  98.109% * 97.8434% (0.72  10.0 10.00   3.91  95.23) =  99.981%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.33 +/- 3.25   1.527% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   GLU-  29 - QG    GLN   90  26.42 +/- 4.53   0.109% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QG    GLN   90  26.58 +/- 4.38   0.102% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  26.88 +/- 3.22   0.082% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  28.31 +/- 3.77   0.070% *  0.0242% (0.18   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 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.747, support = 3.89, residual support = 94.7:
    * O T HB3   GLN   90 - QG    GLN   90   2.39 +/- 0.12  90.919% * 86.8581% (0.75  10.0 10.00   3.91  95.23) =  99.466%  kept
        T HB2   MET   92 - QG    GLN   90   8.15 +/- 1.32   3.393% * 12.3447% (0.44   1.0 10.00   0.49   0.17) =   0.528%  kept
          QB    LYS+  81 - QG    GLN   90   9.00 +/- 2.25   2.762% *  0.0933% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - QG    GLN   90  14.83 +/- 2.39   0.528% *  0.0960% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  15.40 +/- 2.78   0.470% *  0.0984% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG    GLN   90  24.92 +/- 4.72   0.576% *  0.0547% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.04 +/- 1.83   0.418% *  0.0631% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  20.24 +/- 3.96   0.239% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  20.68 +/- 2.82   0.183% *  0.0673% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  22.68 +/- 4.14   0.159% *  0.0673% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  24.55 +/- 3.17   0.103% *  0.0795% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  27.73 +/- 3.81   0.074% *  0.0869% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.67 +/- 1.39   0.175% *  0.0321% (0.28   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 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 = 2.28, residual support = 14.5:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  97.002% * 98.3255% (1.00  10.0 10.00   2.28  14.50) =  99.997%  kept
        T QG2   THR   39 - HA    ALA   91  22.24 +/- 2.93   0.113% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  10.15 +/- 2.57   1.359% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ALA   91  14.83 +/- 3.12   0.868% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ALA   91  19.50 +/- 3.37   0.193% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.19 +/- 5.31   0.111% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.83 +/- 2.49   0.150% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.78 +/- 3.61   0.103% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  29.17 +/- 3.46   0.045% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.17 +/- 1.61   0.055% *  0.0636% (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 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 14.5:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  87.152% * 99.0540% (1.00  10.0 10.00   2.28  14.50) =  99.995%  kept
          HA    PRO   52 - QB    ALA   91  10.20 +/- 3.28   4.417% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - QG2   THR   39  10.58 +/- 2.73   1.906% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - QB    ALA   91  12.55 +/- 1.40   0.502% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  22.24 +/- 2.93   0.102% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   23   6.69 +/- 0.88   3.355% *  0.0096% (0.10   1.0  1.00   0.02   1.24) =   0.000%
          HA    ALA  110 - QB    ALA   91  10.13 +/- 2.84   1.458% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  18.09 +/- 2.93   0.215% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  19.50 +/- 3.37   0.174% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.79 +/- 1.47   0.196% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.17 +/- 3.67   0.150% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.54 +/- 2.45   0.084% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.84 +/- 2.20   0.106% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  23.60 +/- 3.62   0.093% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  22.75 +/- 3.57   0.090% *  0.0021% (0.02   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 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 = 132.4:
    * O T HA    PRO   93 - HD2   PRO   93   3.97 +/- 0.04 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.35) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HD2   PRO   93   3.99 +/- 0.12  61.481% * 99.2584% (0.73  10.0 10.00   5.40 132.35) =  99.959%  kept
          HB2   ARG+  54 - HD2   PRO   93  11.02 +/- 3.06  14.381% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.020%
          HB    VAL  108 - HD2   PRO   93   9.87 +/- 2.13   5.791% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.008%
          HG3   PRO   52 - HD2   PRO   93  10.65 +/- 3.95  11.902% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   GLN   30 - HD2   PRO   93  22.82 +/- 3.73   0.672% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   58 - HD2   PRO   93  12.56 +/- 2.17   2.507% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD2   PRO   93  14.73 +/- 1.37   1.307% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  21.58 +/- 3.68   1.026% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HD2   PRO   93  28.49 +/- 5.70   0.505% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  25.92 +/- 1.15   0.228% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  35.15 +/- 6.41   0.200% *  0.0408% (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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.3:
    * O T HG2   PRO   93 - HD2   PRO   93   2.50 +/- 0.27  88.291% * 99.4388% (0.73  10.0 10.00   4.00 132.35) =  99.993%  kept
          QB    LYS+  65 - HD2   PRO   93  14.10 +/- 3.21   2.920% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   52 - HD2   PRO   93   9.53 +/- 3.85   5.928% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HD2   PRO   93  16.40 +/- 3.05   0.696% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   93  17.65 +/- 2.62   0.445% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.97 +/- 3.27   0.378% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.40 +/- 1.18   0.302% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  24.09 +/- 5.63   0.593% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.75 +/- 0.77   0.173% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  19.40 +/- 2.13   0.273% *  0.0307% (0.22   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 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  94.113% * 98.6805% (0.65  10.0 10.00   4.00 132.35) =  99.992%  kept
          HB3   CYS   53 - HD2   PRO   93   8.01 +/- 2.64   2.280% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HD2   PRO   93  12.42 +/- 3.19   1.747% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HD2   PRO   93  19.95 +/- 3.73   0.169% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HD2   PRO   93   8.84 +/- 2.72   1.226% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD2   PRO   93  11.43 +/- 1.85   0.465% *  0.0579% (0.38   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 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.80 +/- 0.04  98.326% * 99.8223% (0.90  10.0 10.00   5.31 132.35) =  99.997%  kept
        T HA    PRO   93 - HD3   PRO   68  17.90 +/- 2.91   1.674% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.18 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 = 0.894, support = 5.38, residual support = 131.8:
    * O T HB2   PRO   93 - HD3   PRO   93   3.62 +/- 0.20  58.868% * 96.2827% (0.90  10.0 10.00   5.40 132.35) =  99.596%  kept
          HG3   PRO   52 - HD3   PRO   93  10.01 +/- 4.78  15.638% *  1.0401% (0.28   1.0  1.00   0.70   0.02) =   0.286%  kept
        T HB2   ARG+  54 - HD3   PRO   93  10.47 +/- 2.94   6.494% *  0.8352% (0.78   1.0 10.00   0.02   0.02) =   0.095%
        T HB2   PRO   93 - HD3   PRO   68  17.15 +/- 3.21   1.380% *  0.1714% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HD3   PRO   93  11.20 +/- 1.95   2.612% *  0.0771% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLU-  14 - HD3   PRO   93  28.48 +/- 5.55   0.485% *  0.3614% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  14 - HD3   PRO   68  15.73 +/- 4.71   1.988% *  0.0643% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   93  22.74 +/- 3.93   0.473% *  0.2677% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HD3   PRO   93  35.10 +/- 6.05   0.196% *  0.3958% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HD3   PRO   68  19.42 +/- 2.51   0.469% *  0.1486% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD3   PRO   68  21.71 +/- 5.20   0.861% *  0.0704% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  12.60 +/- 2.22   1.819% *  0.0297% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   93  15.27 +/- 1.63   0.962% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   93  21.52 +/- 3.87   0.762% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   PRO   68  16.44 +/- 2.43   0.871% *  0.0476% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   68  13.90 +/- 4.92   2.680% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.93 +/- 1.83   0.809% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.03 +/- 2.95   1.453% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  26.52 +/- 1.43   0.158% *  0.0469% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  21.94 +/- 2.61   0.330% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  20.76 +/- 5.30   0.461% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  24.10 +/- 2.28   0.231% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.889, support = 3.96, residual support = 130.8:
    * O T HG2   PRO   93 - HD3   PRO   93   2.70 +/- 0.29  58.931% * 93.3115% (0.90  10.0 10.00   4.00 132.35) =  98.807%  kept
        T HB3   PRO   52 - HD3   PRO   93   9.05 +/- 4.65  10.395% *  4.8541% (0.28   1.0 10.00   0.34   0.02) =   0.907%  kept
          QB    LYS+  66 - HD3   PRO   68   4.63 +/- 0.76  14.845% *  1.0456% (0.14   1.0  1.00   1.40   0.02) =   0.279%  kept
          QB    LYS+  65 - HD3   PRO   93  13.83 +/- 3.28   2.365% *  0.0779% (0.75   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HD3   PRO   68   7.78 +/- 0.78   3.229% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HD3   PRO   68  18.40 +/- 3.48   0.259% *  0.1661% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD3   PRO   93  16.33 +/- 3.09   0.406% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HD3   PRO   68  12.86 +/- 6.84   4.428% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  17.96 +/- 2.83   0.297% *  0.0678% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.28 +/- 1.12   1.253% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.02 +/- 3.21   0.191% *  0.0747% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.17 +/- 1.46   0.219% *  0.0528% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.48 +/- 1.00   0.126% *  0.0861% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  12.37 +/- 5.52   1.445% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.39 +/- 1.74   0.487% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  19.94 +/- 4.32   0.372% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  23.99 +/- 5.71   0.219% *  0.0259% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  22.71 +/- 2.33   0.108% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  19.79 +/- 2.44   0.174% *  0.0288% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  19.37 +/- 3.54   0.251% *  0.0094% (0.09   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 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  94.980% * 99.5607% (0.65  10.0 10.00   4.00 132.35) =  99.997%  kept
          HA    THR   77 - HD3   PRO   93  10.71 +/- 2.14   0.686% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   77 - HD3   PRO   68  18.68 +/- 4.56   3.598% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HD3   PRO   93  19.62 +/- 3.69   0.451% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  19.95 +/- 3.73   0.169% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  18.65 +/- 2.64   0.117% *  0.0177% (0.12   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 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   2.35 +/- 0.13  92.938% * 99.2584% (1.00  10.0 10.00   5.98 132.35) =  99.995%  kept
          HB2   ARG+  54 - HA    PRO   93  11.44 +/- 2.84   1.702% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HA    PRO   93   9.90 +/- 1.58   1.603% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  19.89 +/- 3.16   0.235% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    PRO   93  11.82 +/- 3.68   1.699% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  14.31 +/- 1.80   0.480% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.48 +/- 2.05   0.728% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.62 +/- 3.05   0.346% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.15 +/- 1.43   0.102% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  26.17 +/- 4.54   0.112% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  32.91 +/- 4.91   0.054% *  0.0408% (0.41   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 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.3:
    * O T HG2   PRO   93 - HA    PRO   93   3.94 +/- 0.04  74.775% * 99.4388% (1.00  10.0 10.00   5.31 132.35) =  99.979%  kept
          QB    LYS+  65 - HA    PRO   93  12.52 +/- 2.74   7.943% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.009%
          HB3   PRO   52 - HA    PRO   93  10.88 +/- 3.44   8.206% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    PRO   93  14.82 +/- 2.64   2.241% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HA    PRO   93  14.64 +/- 2.39   2.204% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  103 - HA    PRO   93  14.96 +/- 1.69   1.591% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    PRO   93  18.38 +/- 1.97   0.852% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  18.70 +/- 1.15   0.734% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  18.88 +/- 1.89   0.748% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  21.86 +/- 4.78   0.706% *  0.0276% (0.28   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 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   3.97 +/- 0.04  83.262% * 99.7770% (0.73  10.0 10.00   5.31 132.35) =  99.976%  kept
          HA    THR   77 - HA    PRO   93   8.82 +/- 2.06  12.806% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.019%
          HB2   TRP   27 - HA    PRO   93  16.99 +/- 3.11   3.932% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.005%
    Distance limit 3.77 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.80 +/- 0.04  65.300% * 98.6805% (0.90  10.0 10.00   5.31 132.35) =  99.932%  kept
          HB3   CYS   53 - HA    PRO   93   7.53 +/- 2.82  21.492% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.036%
        T HD3   PRO   68 - HA    PRO   93  17.90 +/- 2.91   1.104% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.016%
          QB    PHE   55 - HA    PRO   93   9.79 +/- 2.56   5.355% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HD2   ARG+  54 - HA    PRO   93  12.99 +/- 2.55   2.946% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    PRO   93  10.81 +/- 1.97   3.804% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.95 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 = 1.0, support = 5.4, residual support = 132.3:
    * O T HG2   PRO   93 - HB2   PRO   93   2.70 +/- 0.32  73.510% * 99.0260% (1.00  10.0 10.00   5.40 132.35) =  99.967%  kept
        T HB3   PRO   52 - HB2   PRO   93  10.26 +/- 4.12   5.664% *  0.3056% (0.31   1.0 10.00   0.02   0.02) =   0.024%
          QB    LYS+  65 - HB2   PRO   93  11.59 +/- 2.82   3.574% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HB2   PRO   93  13.96 +/- 2.74   0.843% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HG3   GLN   30  11.29 +/- 2.28   3.481% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   PRO   93  15.23 +/- 2.84   0.976% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HG3   GLN   30  21.83 +/- 4.11   0.510% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   PRO   93  18.28 +/- 2.35   0.348% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.10 +/- 1.72   0.437% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.61 +/- 1.25   0.221% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30  10.30 +/- 3.86   2.643% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30  10.14 +/- 2.09   2.136% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  21.48 +/- 5.01   0.329% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  17.73 +/- 2.11   0.292% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  15.34 +/- 2.90   1.056% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.74 +/- 4.65   0.700% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  21.94 +/- 4.84   2.056% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  14.84 +/- 2.65   0.721% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.71 +/- 3.81   0.428% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  28.20 +/- 2.32   0.077% *  0.0024% (0.02   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 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   3.99 +/- 0.12  65.568% * 99.6822% (0.73  10.0 10.00   5.40 132.35) =  99.972%  kept
          HB2   TRP   27 - HB2   PRO   93  17.45 +/- 3.61   8.414% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.013%
          HA    THR   77 - HB2   PRO   93  10.11 +/- 1.93   6.366% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.012%
          HB2   TRP   27 - HG3   GLN   30   6.51 +/- 0.89  18.064% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   93 - HG3   GLN   30  22.82 +/- 3.73   0.638% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   77 - HG3   GLN   30  18.47 +/- 3.64   0.951% *  0.0096% (0.07   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 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.62 +/- 0.20  57.673% * 97.4649% (0.90  10.0 10.00   5.40 132.35) =  99.869%  kept
        T HD2   ARG+  54 - HB2   PRO   93  11.80 +/- 2.60   2.276% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.044%
          HB3   CYS   53 - HB2   PRO   93   7.16 +/- 3.37  22.680% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.043%
        T HD3   PRO   68 - HB2   PRO   93  17.15 +/- 3.21   1.389% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.023%
          QB    PHE   55 - HB2   PRO   93   8.65 +/- 3.28   8.913% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.014%
          HB2   PHE   59 - HB2   PRO   93   9.53 +/- 2.23   4.755% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T HD3   PRO   68 - HG3   GLN   30  16.44 +/- 2.43   0.793% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  22.74 +/- 3.93   0.483% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HG3   GLN   30  26.34 +/- 3.56   0.171% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  23.54 +/- 2.95   0.256% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.43 +/- 3.15   0.383% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  23.80 +/- 2.63   0.229% *  0.0068% (0.06   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 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.94 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.35) = 100.000%  kept
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.3:
    * O T HB2   PRO   93 - HG2   PRO   93   2.70 +/- 0.32  84.638% * 98.7141% (1.00  10.0 10.00   5.40 132.35) =  99.969%  kept
        T HG3   PRO   52 - HG2   PRO   93  11.07 +/- 4.17   3.813% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   PRO   58 - HG2   PRO   93  10.95 +/- 2.33   1.841% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HG2   PRO   93  10.41 +/- 2.80   4.082% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HG2   PRO   93  10.43 +/- 2.45   2.598% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG2   PRO   93  21.83 +/- 4.11   0.585% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG2   PRO   93  20.62 +/- 3.97   1.022% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   PRO   93  13.09 +/- 1.63   0.935% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HG2   PRO   93  27.28 +/- 5.26   0.264% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  25.41 +/- 1.32   0.119% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  33.96 +/- 6.01   0.103% *  0.0406% (0.41   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 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 = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.50 +/- 0.27  97.102% * 99.7770% (0.73  10.0 10.00   4.00 132.35) =  99.997%  kept
          HA    THR   77 - HG2   PRO   93  11.64 +/- 1.83   1.739% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HG2   PRO   93  19.26 +/- 3.66   1.159% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 4.0, residual support = 132.3:
    * O T HD3   PRO   93 - HG2   PRO   93   2.70 +/- 0.29  74.385% * 98.6805% (0.90  10.0 10.00   4.00 132.35) =  99.962%  kept
          HB3   CYS   53 - HG2   PRO   93   7.74 +/- 3.24  14.252% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.021%
          QB    PHE   55 - HG2   PRO   93   8.08 +/- 3.14   6.513% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.008%
        T HD3   PRO   68 - HG2   PRO   93  18.40 +/- 3.48   0.327% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG2   PRO   93  11.76 +/- 2.70   1.868% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG2   PRO   93   9.66 +/- 2.09   2.655% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.86 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   3.00 +/- 0.10  86.938% * 99.2375% (0.84  10.0 10.00   2.43  24.98) =  99.988%  kept
          QB    SER   85 - HA    THR   94  15.09 +/- 3.82   4.112% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          QB    SER   48 - HA    THR   94  12.53 +/- 1.38   1.376% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HA    THR   94  14.80 +/- 2.94   1.614% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER  117 - HA    THR   94  11.54 +/- 1.42   1.959% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    THR   94  15.72 +/- 2.08   0.903% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  16.79 +/- 1.42   0.529% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  17.51 +/- 2.18   0.511% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  12.49 +/- 2.42   1.781% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  23.70 +/- 5.26   0.278% *  0.0992% (0.84   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 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   2.56 +/- 0.28  92.552% * 99.7175% (1.00  10.0 10.00   2.92  24.98) =  99.994%  kept
          HD2   LYS+ 112 - HA    THR   94  11.85 +/- 2.83   3.966% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - HA    THR   94  11.19 +/- 2.13   2.029% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - HA    THR   94  11.96 +/- 1.53   1.105% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  18.26 +/- 1.50   0.348% *  0.0724% (0.73   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 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   3.00 +/- 0.10  97.983% * 99.9751% (0.84  10.0 10.00   2.43  24.98) =  99.999%  kept
          HA    LYS+  74 - HB    THR   94  11.46 +/- 2.02   2.017% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 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   2.17 +/- 0.01  97.111% * 99.7175% (0.84  10.0 10.00   2.43  24.98) =  99.998%  kept
          HD2   LYS+ 112 - HB    THR   94  13.88 +/- 3.34   1.280% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB    THR   94  13.39 +/- 2.46   0.666% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    THR   94  11.69 +/- 1.79   0.765% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  18.26 +/- 1.63   0.179% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.56 +/- 0.28  98.167% * 99.9751% (1.00  10.0 10.00   2.92  24.98) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.46 +/- 1.78   1.833% *  0.0249% (0.25   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 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   2.17 +/- 0.01  87.510% * 99.2375% (0.84  10.0 10.00   2.43  24.98) =  99.988%  kept
          QB    SER   85 - QG2   THR   94  11.68 +/- 3.70   6.188% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.007%
          QB    SER   48 - QG2   THR   94  10.64 +/- 1.93   1.267% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QG2   THR   94  13.69 +/- 3.05   1.352% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QG2   THR   94  14.07 +/- 1.85   0.525% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.78 +/- 1.52   0.950% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QG2   THR   94  11.56 +/- 2.56   1.456% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.44 +/- 1.50   0.266% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  15.61 +/- 2.34   0.285% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  20.15 +/- 4.27   0.202% *  0.0992% (0.84   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 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   3.02 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 3.86 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   2.55 +/- 0.19  98.948% * 99.8670% (1.00  10.0 10.00   4.00  73.46) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  13.12 +/- 1.29   0.835% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  21.39 +/- 3.35   0.217% *  0.0341% (0.34   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 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   3.02 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 3.95 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  99.515% * 99.8670% (1.00  10.0 10.00   3.31  73.46) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.22 +/- 1.21   0.421% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  23.26 +/- 3.93   0.064% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.55 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.46) = 100.000%  kept
    Distance limit 3.59 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 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 4.98, residual support = 114.8:
    * O T HB2   MET   96 - HA    MET   96   2.89 +/- 0.19  80.776% * 95.8397% (0.98  10.0 10.00   5.00 115.43) =  99.463%  kept
          HB2   ASP- 105 - HA    MET   96   6.24 +/- 1.12  10.755% *  3.8354% (0.40   1.0  1.00   1.95   0.02) =   0.530%  kept
          HB3   ASP-  76 - HA    MET   96  15.06 +/- 3.49   5.813% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   70 - HA    MET   96  13.45 +/- 2.69   1.261% *  0.0732% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.91 +/- 1.01   0.642% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  18.33 +/- 3.07   0.479% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  21.67 +/- 4.19   0.274% *  0.0543% (0.55   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 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   2.74 +/- 0.25  97.708% * 99.7402% (0.98  10.0 10.00   5.00 115.43) =  99.998%  kept
          HB2   LEU   40 - HA    MET   96  12.33 +/- 1.98   1.463% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  23.62 +/- 3.62   0.243% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  18.24 +/- 3.10   0.502% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.54 +/- 4.25   0.084% *  0.0685% (0.67   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 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   3.25 +/- 0.47  99.143% * 99.6261% (0.98  10.0 10.00   4.44 115.43) =  99.997%  kept
        T HB2   PRO   52 - HA    MET   96  17.94 +/- 3.28   0.857% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.00 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   2.65 +/- 0.45  94.301% * 99.7437% (0.59  10.0 10.00   4.44 115.43) =  99.997%  kept
          HB3   TRP   87 - HA    MET   96  14.59 +/- 5.81   4.099% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  36 - HA    MET   96  21.33 +/- 1.66   0.244% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.85 +/- 2.24   0.816% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  15.97 +/- 1.38   0.541% *  0.0457% (0.27   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 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   2.89 +/- 0.19  96.949% * 99.9773% (0.98  10.0 10.00   5.00 115.43) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  11.25 +/- 3.47   3.051% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.312% * 99.7402% (1.00  10.0 10.00   5.00 115.43) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  12.16 +/- 2.04   0.401% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  22.53 +/- 4.08   0.124% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  18.57 +/- 3.01   0.136% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  30.38 +/- 4.33   0.026% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.63 +/- 0.31  99.580% * 99.6261% (1.00  10.0 10.00   4.44 115.43) =  99.998%  kept
        T HB2   PRO   52 - HB2   MET   96  18.73 +/- 2.93   0.420% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.11 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   2.77 +/- 0.21  93.548% * 99.7437% (0.61  10.0 10.00   4.44 115.43) =  99.997%  kept
          HB3   TRP   87 - HB2   MET   96  13.69 +/- 6.00   5.102% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  36 - HB2   MET   96  20.15 +/- 2.21   0.282% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.20 +/- 2.18   0.669% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  17.67 +/- 1.50   0.398% *  0.0457% (0.28   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 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB3   MET   96   2.74 +/- 0.25  96.558% * 99.9773% (0.98  10.0 10.00   5.00 115.43) =  99.999%  kept
          HA    PHE   72 - HB3   MET   96  11.53 +/- 3.31   3.442% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  97.665% * 99.6213% (1.00  10.0 10.00   5.00 115.43) =  99.999%  kept
          HB3   ASP-  76 - HB3   MET   96  13.36 +/- 2.97   0.666% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   96   8.65 +/- 0.96   0.934% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.06 +/- 2.41   0.324% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  14.95 +/- 1.32   0.174% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.70 +/- 3.41   0.152% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  20.21 +/- 4.08   0.084% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.66 +/- 0.26  99.566% * 99.6261% (1.00  10.0 10.00   4.44 115.43) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  18.32 +/- 3.27   0.434% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.88 +/- 0.22  90.658% * 99.7437% (0.61  10.0 10.00   4.44 115.43) =  99.996%  kept
          HB3   TRP   87 - HB3   MET   96  13.60 +/- 6.44   7.690% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  36 - HB3   MET   96  20.51 +/- 2.37   0.300% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.23 +/- 2.19   0.903% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  17.52 +/- 1.45   0.449% *  0.0457% (0.28   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 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   3.25 +/- 0.47  95.836% * 99.6779% (0.98  10.0 10.00   4.44 115.43) =  99.997%  kept
        T HA    MET   96 - HB2   PRO   52  17.94 +/- 3.28   0.828% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   72 - HG2   MET   96  12.53 +/- 3.48   2.952% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   PRO   52  23.05 +/- 2.68   0.384% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.63 +/- 0.31  89.732% * 96.9076% (1.00  10.0 10.00   4.44 115.43) =  99.886%  kept
          HB2   ASP- 105 - HG2   MET   96   8.44 +/- 1.24   4.010% *  2.3710% (0.41   1.0  1.00   1.19   0.02) =   0.109%  kept
        T HB2   MET   96 - HB2   PRO   52  18.73 +/- 2.93   0.378% *  0.2847% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  14.14 +/- 3.00   1.034% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  14.75 +/- 3.11   1.091% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.95 +/- 1.07   0.712% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG2   MET   96  18.52 +/- 3.60   0.565% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  20.58 +/- 4.75   0.263% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  19.52 +/- 4.25   1.211% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  19.18 +/- 4.82   0.496% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  22.08 +/- 2.45   0.208% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  24.89 +/- 4.14   0.148% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  31.03 +/- 3.50   0.074% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  30.67 +/- 4.26   0.078% *  0.0161% (0.17   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 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   2.66 +/- 0.26  92.173% * 99.3732% (1.00  10.0 10.00   4.44 115.43) =  99.997%  kept
        T HB3   MET   96 - HB2   PRO   52  18.32 +/- 3.27   0.402% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - HG2   MET   96  12.62 +/- 2.83   1.249% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.57 +/- 0.94   5.172% *  0.0073% (0.07   1.0  1.00   0.02   1.91) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.32 +/- 4.36   0.354% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.11 +/- 3.21   0.311% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.10 +/- 4.54   0.074% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.90 +/- 3.26   0.155% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  32.55 +/- 3.82   0.069% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  39.24 +/- 5.84   0.041% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  96.274% * 99.2819% (0.61  10.0 10.00   4.00 115.43) =  99.998%  kept
          HB3   TRP   87 - HG2   MET   96  14.11 +/- 6.51   2.335% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   MET   96 - HB2   PRO   52  19.69 +/- 3.27   0.093% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.77 +/- 1.52   0.147% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  20.49 +/- 2.92   0.073% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  15.29 +/- 3.07   0.466% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.87 +/- 2.29   0.133% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  16.72 +/- 3.79   0.381% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.77 +/- 1.50   0.084% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  33.97 +/- 3.50   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 = 115.4:
    * O T HA    MET   96 - HG3   MET   96   2.65 +/- 0.45  97.475% * 99.9773% (0.59  10.0 10.00   4.44 115.43) =  99.999%  kept
          HA    PHE   72 - HG3   MET   96  12.67 +/- 3.62   2.525% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.77 +/- 0.21  89.324% * 97.6944% (0.61  10.0 10.00   4.44 115.43) =  99.884%  kept
          HB2   ASP- 105 - HG3   MET   96   7.69 +/- 1.03   4.960% *  1.9744% (0.25   1.0  1.00   0.98   0.02) =   0.112%  kept
          HB3   ASP-  76 - HG3   MET   96  15.20 +/- 3.25   2.942% *  0.0632% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HG3   MET   96  14.15 +/- 3.32   1.102% *  0.0747% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.74 +/- 1.20   0.834% *  0.0709% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HG3   MET   96  18.70 +/- 3.74   0.556% *  0.0671% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  20.96 +/- 4.59   0.282% *  0.0553% (0.34   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 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   2.88 +/- 0.22  97.073% * 99.7402% (0.61  10.0 10.00   4.44 115.43) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  12.47 +/- 2.88   1.835% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  14 - HG3   MET   96  23.57 +/- 4.37   0.518% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.07 +/- 3.08   0.464% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  31.34 +/- 4.45   0.110% *  0.0685% (0.42   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 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00  99.904% * 99.6261% (0.61  10.0 10.00   4.00 115.43) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  19.69 +/- 3.27   0.096% *  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 = 62.2:
    * O T HB2   PHE   97 - HA    PHE   97   2.89 +/- 0.17  81.710% * 99.7149% (1.00  10.0 10.00   2.89  62.24) =  99.986%  kept
          HB3   TRP   27 - HA    PHE   97  13.74 +/- 4.40   4.137% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          QE    LYS+ 106 - HA    PHE   97   7.89 +/- 1.11   5.514% *  0.0724% (0.73   1.0  1.00   0.02  11.23) =   0.005%
          QE    LYS+  99 - HA    PHE   97   7.68 +/- 0.70   4.725% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HA    PHE   97  11.56 +/- 2.95   2.881% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  38 - HA    PHE   97  13.31 +/- 1.60   1.034% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.2:
    * O T HB3   PHE   97 - HA    PHE   97   2.78 +/- 0.24  96.250% * 99.7224% (0.95  10.0 10.00   3.44  62.24) =  99.997%  kept
          HB2   GLU- 100 - HA    PHE   97  11.19 +/- 0.68   1.626% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  15.79 +/- 2.01   0.618% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PHE   97  17.19 +/- 2.85   0.545% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    PHE   97  16.57 +/- 2.99   0.961% *  0.0185% (0.18   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 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.2:
    * O T HA    PHE   97 - HB2   PHE   97   2.89 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.24) = 100.000%  kept
    Distance limit 3.86 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 = 62.2:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.039% * 99.7224% (0.95  10.0 10.00   3.31  62.24) =  99.999%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.49 +/- 0.91   0.374% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  15.40 +/- 2.34   0.172% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  18.01 +/- 3.07   0.129% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  18.47 +/- 3.44   0.285% *  0.0185% (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 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.2:
    * O T HA    PHE   97 - HB3   PHE   97   2.78 +/- 0.24 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.24) = 100.000%  kept
    Distance limit 3.62 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 = 0.945, support = 3.31, residual support = 62.1:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  91.357% * 95.5887% (0.95  10.0 10.00   3.31  62.24) =  99.738%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.94 +/- 1.41   5.406% *  4.2074% (0.69   1.0  1.00   1.21  11.23) =   0.260%  kept
          HB3   TRP   27 - HB3   PHE   97  15.77 +/- 4.85   1.341% *  0.0954% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB3   PHE   97   7.80 +/- 0.96   1.211% *  0.0393% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   PHE   97  12.39 +/- 2.99   0.471% *  0.0503% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.12 +/- 1.82   0.213% *  0.0189% (0.19   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 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 = 76.7:
    * O T QB    LEU   98 - HA    LEU   98   2.20 +/- 0.08  92.501% * 99.2568% (0.87  10.0 10.00   4.97  76.74) =  99.996%  kept
          HD3   LYS+ 121 - HA    LEU   98  15.59 +/- 6.63   1.371% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LEU   98   9.56 +/- 3.25   2.476% *  0.0226% (0.20   1.0  1.00   0.02   0.32) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  17.19 +/- 3.92   0.403% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LEU   98  16.44 +/- 3.99   0.323% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  19.08 +/- 3.74   0.191% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.09 +/- 4.23   0.236% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.32 +/- 1.53   0.255% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  15.56 +/- 4.36   0.648% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  19.46 +/- 4.53   0.227% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  15.72 +/- 2.08   0.316% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  15.66 +/- 3.32   0.351% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.46 +/- 3.90   0.542% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.77 +/- 2.73   0.160% *  0.0226% (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 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.94, support = 4.79, residual support = 70.9:
    *   T QD1   LEU   98 - HA    LEU   98   3.01 +/- 0.40  42.505% * 93.3144% (1.00 10.00   4.80  76.74) =  91.378%  kept
          QD2   LEU  104 - HA    LEU   98   2.91 +/- 1.42  56.425% *  6.6321% (0.31  1.00   4.61   9.41) =   8.621%  kept
          QG2   ILE   19 - HA    LEU   98  14.44 +/- 3.31   0.509% *  0.0350% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.21 +/- 3.13   0.561% *  0.0185% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.2, residual support = 75.5:
    *   T QD2   LEU   98 - HA    LEU   98   3.77 +/- 0.49  69.070% * 92.9619% (1.00 10.00   4.27  76.74) =  97.710%  kept
          QG2   VAL   41 - HA    LEU   98   6.89 +/- 2.62  24.565% *  6.0703% (0.95  1.00   1.38  22.81) =   2.269%  kept
        T QD1   LEU   80 - HA    LEU   98  16.42 +/- 3.80   1.296% *  0.9296% (1.00 10.00   0.02   0.02) =   0.018%
          QD2   LEU   63 - HA    LEU   98  12.08 +/- 3.36   5.069% *  0.0382% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 4.64 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 = 76.7:
    * O T HA    LEU   98 - QB    LEU   98   2.20 +/- 0.08 100.000% *100.0000% (0.87  10.0 10.00   4.97  76.74) = 100.000%  kept
    Distance limit 3.28 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 = 0.862, support = 3.83, residual support = 76.1:
    * O T QD1   LEU   98 - QB    LEU   98   2.13 +/- 0.13  84.356% * 94.3740% (0.87  10.0 10.00   3.83  76.74) =  99.082%  kept
          QD2   LEU  104 - QB    LEU   98   4.07 +/- 0.75  14.434% *  5.0851% (0.27   1.0  1.00   3.49   9.41) =   0.914%  kept
        T QG2   ILE   19 - QB    LEU   98  12.20 +/- 3.07   0.609% *  0.3542% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE   19 - QB    LEU   98  12.08 +/- 2.81   0.600% *  0.1868% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.18 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 = 0.858, support = 3.14, residual support = 66.0:
    * O T QD2   LEU   98 - QB    LEU   98   2.07 +/- 0.13  77.873% * 51.1151% (0.87  10.0 10.00   3.32  76.74) =  80.167%  kept
        T QG2   VAL   41 - QB    LEU   98   4.96 +/- 2.90  20.360% * 48.3528% (0.82   1.0 10.00   2.42  22.81) =  19.827%  kept
        T QD1   LEU   80 - QB    LEU   98  13.50 +/- 3.56   0.501% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - QB    LEU   98  10.83 +/- 3.18   1.266% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.8, residual support = 76.7:
    *   T HA    LEU   98 - QD1   LEU   98   3.01 +/- 0.40 100.000% *100.0000% (1.00 10.00   4.80  76.74) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.83, residual support = 76.7:
    * O T QB    LEU   98 - QD1   LEU   98   2.13 +/- 0.13  89.391% * 98.1517% (0.87  10.0 10.00   3.83  76.74) =  99.987%  kept
        T HG12  ILE   19 - QD1   LEU   98  13.39 +/- 3.03   0.503% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   80 - QD1   LEU   98  14.83 +/- 4.30   0.607% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QD1   LEU   98  14.46 +/- 5.07   1.236% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   LEU   98  13.57 +/- 2.95   0.607% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   98   8.33 +/- 2.13   2.596% *  0.0224% (0.20   1.0  1.00   0.02   0.32) =   0.001%
          HB2   LEU   80 - QD1   LEU   98  14.54 +/- 3.88   0.500% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   98  18.09 +/- 3.70   0.677% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QD1   LEU   98  13.99 +/- 1.93   0.442% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  13.22 +/- 2.97   0.931% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  11.31 +/- 3.10   1.106% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.53 +/- 2.74   0.642% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.24 +/- 1.70   0.513% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  16.66 +/- 2.04   0.248% *  0.0224% (0.20   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 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.61, residual support = 76.4:
    * O T QD2   LEU   98 - QD1   LEU   98   2.04 +/- 0.05  86.170% * 94.3090% (1.00  10.0 10.00   2.62  76.74) =  99.302%  kept
          QG2   VAL   41 - QD1   LEU   98   5.18 +/- 2.08  11.981% *  4.7091% (0.95   1.0  1.00   1.06  22.81) =   0.689%  kept
        T QD1   LEU   80 - QD1   LEU   98  12.54 +/- 3.65   0.721% *  0.9431% (1.00   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   63 - QD1   LEU   98  10.64 +/- 2.42   1.127% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.49 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 = 4.27, residual support = 76.7:
    *   T HA    LEU   98 - QD2   LEU   98   3.77 +/- 0.49  98.137% * 99.4301% (1.00 10.00   4.27  76.74) =  99.989%  kept
        T HA    LEU   98 - QD1   LEU   80  16.42 +/- 3.80   1.863% *  0.5699% (0.57 10.00   0.02   0.02) =   0.011%
    Distance limit 4.59 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 = 0.699, support = 3.85, residual support = 79.8:
    * O T QB    LEU   98 - QD2   LEU   98   2.07 +/- 0.13  37.778% * 50.3539% (0.87  10.0 10.00   3.32  76.74) =  63.111%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  35.543% * 16.1964% (0.28  10.0  1.00   4.59  84.97) =  19.099%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.87 +/- 0.40  16.687% * 32.1120% (0.55  10.0 10.00   4.96  84.97) =  17.778%  kept
        T HB2   LEU   80 - QD2   LEU   98  13.49 +/- 3.54   0.226% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LEU   98 - QD1   LEU   80  13.50 +/- 3.56   0.232% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD2   LEU   98  12.08 +/- 3.08   0.478% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD2   LEU   98   7.40 +/- 2.82   2.196% *  0.0115% (0.20   1.0  1.00   0.02   0.32) =   0.001%
          HB3   LYS+  74 - QD1   LEU   80  11.33 +/- 3.41   0.734% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD2   LEU   98  15.04 +/- 4.82   0.252% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  12.27 +/- 3.78   0.308% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.55 +/- 4.02   0.288% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  13.76 +/- 3.91   0.269% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   9.91 +/- 3.14   0.747% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  11.54 +/- 3.22   0.400% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  16.39 +/- 3.47   0.807% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  12.51 +/- 1.98   0.288% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.31 +/- 3.27   0.434% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.80 +/- 3.67   0.248% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  17.34 +/- 6.65   0.209% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.16 +/- 1.56   0.135% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80  12.33 +/- 4.10   0.801% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  21.51 +/- 5.74   0.125% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.95 +/- 2.27   0.206% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  22.92 +/- 4.40   0.049% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  15.59 +/- 2.30   0.112% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  18.75 +/- 5.53   0.135% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  14.62 +/- 3.32   0.159% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  16.24 +/- 3.79   0.155% *  0.0066% (0.11   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.994, support = 2.6, residual support = 76.1:
    * O T QD1   LEU   98 - QD2   LEU   98   2.04 +/- 0.05  88.429% * 88.8996% (1.00  10.0 10.00   2.62  76.74) =  99.088%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.15 +/- 0.76   6.937% * 10.3534% (0.31   1.0 10.00   0.75   9.41) =   0.905%  kept
        T QD1   LEU   98 - QD1   LEU   80  12.54 +/- 3.65   0.738% *  0.5096% (0.57   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU  104 - QD1   LEU   80  15.36 +/- 3.19   0.287% *  0.1573% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD2   LEU   98  10.64 +/- 3.07   0.980% *  0.0334% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80  13.96 +/- 5.74   1.051% *  0.0191% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.65 +/- 2.64   0.894% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  14.84 +/- 5.08   0.684% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.44, residual support = 173.7:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.33 +/- 0.43  71.864% * 98.4070% (1.00  10.0 10.00   6.44 173.87) =  99.879%  kept
          QG2   THR   39 - HA    LYS+  99   8.56 +/- 4.96  14.563% *  0.4112% (0.65   1.0  1.00   0.13   0.02) =   0.085%
        T HG3   LYS+  38 - HA    LYS+  99  11.74 +/- 5.09   4.555% *  0.3693% (0.38   1.0 10.00   0.02   0.02) =   0.024%
          HG    LEU   71 - HA    LYS+  99  13.54 +/- 5.72   3.417% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HG12  ILE   89 - HA    LYS+  99  22.30 +/- 5.61   0.548% *  0.4046% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HA    LYS+  99  15.48 +/- 5.59   1.682% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    LYS+  99  18.08 +/- 4.30   1.458% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   91 - HA    LYS+  99  19.75 +/- 1.46   0.417% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  21.73 +/- 3.66   0.780% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.36 +/- 2.26   0.715% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.746, support = 5.9, residual support = 173.8:
    *   T QD    LYS+  99 - HA    LYS+  99   3.73 +/- 0.79  33.581% * 69.7607% (1.00   1.0 10.00   5.82 173.87) =  56.940%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.68 +/- 0.34  61.739% * 28.6795% (0.41  10.0 10.00   6.01 173.87) =  43.038%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.21 +/- 1.02   0.908% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.015%
        T QG1   ILE   56 - HA    LYS+  99  17.24 +/- 1.92   0.273% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  123 - HA    LYS+  99  20.16 +/- 6.52   0.298% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+  99   8.12 +/- 0.69   2.336% *  0.0155% (0.22   1.0  1.00   0.02   1.55) =   0.001%
          HB2   LEU   73 - HA    LYS+  99  15.64 +/- 4.29   0.459% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HA    LYS+  99  22.39 +/- 4.16   0.147% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  21.66 +/- 1.03   0.122% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.14 +/- 1.29   0.138% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 6.98, residual support = 171.5:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.83 +/- 0.44  66.877% * 88.9408% (1.00  10.0 10.00   7.04 173.87) =  98.494%  kept
          HG    LEU   98 - HA    LYS+  99   5.02 +/- 1.37  22.163% *  3.3721% (0.22   1.0  1.00   3.41  17.73) =   1.238%  kept
        T HG2   LYS+  38 - HA    LYS+  99  11.33 +/- 4.73   2.167% *  7.2456% (0.98   1.0 10.00   0.17   0.02) =   0.260%  kept
          HB2   LEU   31 - HA    LYS+  99  12.75 +/- 4.53   5.212% *  0.0743% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   63 - HA    LYS+  99  15.93 +/- 3.94   0.616% *  0.0504% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LYS+  99  17.84 +/- 5.98   0.937% *  0.0275% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  21.76 +/- 3.63   0.314% *  0.0798% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  21.51 +/- 5.52   0.346% *  0.0646% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.62 +/- 1.93   0.489% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  21.51 +/- 4.28   0.231% *  0.0611% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.80 +/- 1.85   0.367% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  20.02 +/- 4.08   0.281% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 5.35, residual support = 172.2:
    *   T QE    LYS+  99 - HA    LYS+  99   3.80 +/- 0.61  62.055% * 91.7336% (1.00 10.00   5.40 173.87) =  99.033%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.65 +/- 0.63   6.558% *  7.3648% (0.69 10.00   0.23   1.55) =   0.840%  kept
        T QE    LYS+  38 - HA    LYS+  99  10.41 +/- 3.84   7.696% *  0.8227% (0.90 10.00   0.02   0.02) =   0.110%  kept
          HB3   TRP   27 - HA    LYS+  99  14.73 +/- 5.41  11.996% *  0.0411% (0.45  1.00   0.02   0.02) =   0.009%
          HB2   PHE   97 - HA    LYS+  99   7.23 +/- 0.90  11.694% *  0.0377% (0.41  1.00   0.02   0.02) =   0.008%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.98, residual support = 173.2:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.71 +/- 0.26  76.015% * 98.0440% (1.00  10.0 10.00   7.00 173.87) =  99.582%  kept
          HA    LEU   40 - HB2   LYS+  99   8.10 +/- 5.90  20.177% *  1.5356% (0.25   1.0  1.00   1.26   8.53) =   0.414%  kept
          HA    ASN   35 - HB2   LYS+  99  12.86 +/- 4.58   1.594% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   LYS+  99  19.54 +/- 8.10   0.795% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - HB2   LYS+  99  21.33 +/- 2.23   0.189% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.32 +/- 2.24   0.181% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.56 +/- 3.13   0.305% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  19.36 +/- 5.57   0.355% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.49 +/- 3.08   0.199% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.29 +/- 5.49   0.188% *  0.0133% (0.14   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 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 = 6.4, residual support = 173.8:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.64 +/- 0.30  88.619% * 97.9904% (1.00  10.0 10.00   6.40 173.87) =  99.938%  kept
          QG2   THR   39 - HB2   LYS+  99   9.83 +/- 4.79   4.965% *  0.8327% (0.65   1.0  1.00   0.26   0.02) =   0.048%
        T HG3   LYS+  38 - HB2   LYS+  99  13.13 +/- 5.15   2.373% *  0.3678% (0.38   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   71 - HB2   LYS+  99  14.99 +/- 5.51   1.182% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - HB2   LYS+  99  22.75 +/- 5.45   0.264% *  0.4029% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  99  16.91 +/- 5.60   0.932% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  19.43 +/- 4.24   0.674% *  0.0978% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  99  20.04 +/- 1.61   0.233% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  20.90 +/- 3.62   0.347% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  17.25 +/- 2.30   0.410% *  0.0218% (0.22   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 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.688, support = 5.19, residual support = 173.9:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  71.762% * 29.0322% (0.41  10.0   4.75 173.87) =  52.940%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.60 +/- 0.38  26.224% * 70.6187% (1.00  10.0   5.69 173.87) =  47.058%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.58 +/- 1.10   0.372% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   7.64 +/- 1.26   1.125% *  0.0157% (0.22   1.0   0.02   1.55) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  17.16 +/- 4.31   0.112% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  19.45 +/- 6.82   0.154% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  21.45 +/- 4.12   0.087% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.09 +/- 1.75   0.085% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  21.77 +/- 1.19   0.039% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.29 +/- 1.17   0.041% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.42 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 = 6.99, residual support = 173.2:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.88 +/- 0.19  80.476% * 96.1382% (1.00  10.0   7.01 173.87) =  99.542%  kept
          HG    LEU   98 - HB2   LYS+  99   6.21 +/- 1.06  10.636% *  3.2904% (0.22   1.0   3.07  17.73) =   0.450%  kept
          HB2   LEU   31 - HB2   LYS+  99  14.40 +/- 4.66   2.432% *  0.0803% (0.84   1.0   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HB2   LYS+  99  12.83 +/- 4.74   1.918% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          QB    ALA  124 - HB2   LYS+  99  16.99 +/- 6.35   1.505% *  0.0297% (0.31   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+  99  16.31 +/- 4.06   0.700% *  0.0544% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  20.92 +/- 3.60   0.391% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  21.82 +/- 5.56   0.469% *  0.0698% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  16.29 +/- 1.86   0.523% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  22.64 +/- 3.93   0.217% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  17.44 +/- 1.85   0.408% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  20.71 +/- 3.94   0.325% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.17, residual support = 173.5:
    *     QE    LYS+  99 - HB2   LYS+  99   3.20 +/- 0.77  67.512% * 97.6503% (1.00   5.19 173.87) =  99.766%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.25 +/- 1.11   5.988% *  1.6884% (0.69   0.13   1.55) =   0.153%  kept
          QE    LYS+  38 - HB2   LYS+  99  11.45 +/- 4.00   6.185% *  0.3377% (0.90   0.02   0.02) =   0.032%
          HB2   PHE   97 - HB2   LYS+  99   6.43 +/- 0.77  12.512% *  0.1548% (0.41   0.02   0.02) =   0.029%
          HB3   TRP   27 - HB2   LYS+  99  16.24 +/- 5.80   7.802% *  0.1688% (0.45   0.02   0.02) =   0.020%
    Distance limit 4.46 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 = 173.6:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.33 +/- 0.43  45.225% * 97.6082% (1.00  10.0 10.00   6.44 173.87) =  99.841%  kept
          HA    LEU   40 - HG3   LYS+  99   8.48 +/- 6.62  17.665% *  0.3319% (0.25   1.0  1.00   0.27   8.53) =   0.133%  kept
        T HA    LYS+  99 - HG3   LYS+  38  11.74 +/- 5.09   2.947% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.007%
          HA    ASN   35 - HG3   LYS+  99  12.23 +/- 5.66   2.674% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASN   35 - HG3   LYS+  38   5.93 +/- 1.78  17.505% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ILE   56 - HG3   LYS+  99  23.15 +/- 2.40   0.166% *  0.9233% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - HG12  ILE   89  22.30 +/- 5.61   0.320% *  0.3959% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG3   LYS+  99  20.48 +/- 8.98   0.780% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG3   LYS+  99  23.33 +/- 2.40   0.180% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  17.66 +/- 1.86   0.372% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  25.79 +/- 3.53   0.127% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.50 +/- 0.88   3.844% *  0.0025% (0.03   1.0  1.00   0.02   0.82) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  21.25 +/- 2.66   0.273% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  20.12 +/- 3.52   0.252% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  26.69 +/- 5.08   0.149% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  18.90 +/- 6.69   0.428% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  14.94 +/- 4.20   4.077% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  21.12 +/- 7.07   0.610% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.66 +/- 6.42   0.235% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  28.99 +/- 2.25   0.078% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.96 +/- 3.42   0.175% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  20.26 +/- 1.91   0.239% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  22.96 +/- 4.34   0.227% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  19.91 +/- 2.13   0.292% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  27.28 +/- 4.13   0.168% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  21.53 +/- 3.74   0.262% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  29.65 +/- 6.80   0.101% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  17.95 +/- 3.54   0.379% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  33.60 +/- 6.58   0.074% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  23.75 +/- 3.78   0.175% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.93, support = 4.71, residual support = 177.3:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.69 +/- 0.45  45.755% * 89.0505% (1.00  10.0 10.00   4.74 173.87) =  92.253%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.83 +/- 0.51  40.404% *  8.3338% (0.09  10.0 10.00   4.40 221.19) =   7.624%  kept
        T QE    LYS+  38 - HG3   LYS+  99  10.60 +/- 5.25   4.380% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.079%
        T QE    LYS+ 102 - HG3   LYS+  99   8.99 +/- 1.73   2.354% *  0.6117% (0.69   1.0 10.00   0.02   1.55) =   0.033%
        T QE    LYS+  99 - HG3   LYS+  38  11.16 +/- 5.19   1.968% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+ 102 - HG12  ILE   89  20.59 +/- 6.00   0.284% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HG3   LYS+  99  16.81 +/- 5.71   1.490% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG3   LYS+  99   8.73 +/- 0.79   1.567% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HG12  ILE   89  22.18 +/- 4.33   0.141% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  25.05 +/- 5.84   0.129% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HG3   LYS+  38  15.58 +/- 4.70   0.412% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG12  ILE   89  18.49 +/- 4.93   0.343% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  20.37 +/- 5.34   0.308% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  16.67 +/- 1.60   0.242% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.44 +/- 2.32   0.225% *  0.0038% (0.04   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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 173.4:
    *   T HA    LYS+  99 - QD    LYS+  99   3.73 +/- 0.79  54.841% * 95.3421% (1.00 10.00   5.82 173.87) =  99.736%  kept
          HA    LEU   40 - QD    LYS+  99   8.09 +/- 5.17  21.084% *  0.3242% (0.25  1.00   0.27   8.53) =   0.130%  kept
        T HA    LYS+  99 - QD    LYS+ 106  11.21 +/- 1.02   2.986% *  0.7676% (0.81 10.00   0.02   0.02) =   0.044%
        T HA    LEU  123 - QD    LYS+  99  17.61 +/- 7.77   2.752% *  0.8270% (0.87 10.00   0.02   0.02) =   0.043%
        T HA    ILE   56 - QD    LYS+ 106  14.83 +/- 1.51   1.094% *  0.7262% (0.76 10.00   0.02   0.02) =   0.015%
          HA    ASN   35 - QD    LYS+  99  11.67 +/- 4.40   5.316% *  0.0920% (0.97  1.00   0.02   0.02) =   0.009%
        T HA    LEU  123 - QD    LYS+ 106  19.53 +/- 4.27   0.707% *  0.6659% (0.70 10.00   0.02   0.02) =   0.009%
        T HA    ILE   56 - QD    LYS+  99  20.48 +/- 2.35   0.424% *  0.9019% (0.95 10.00   0.02   0.02) =   0.007%
          HA    ASP- 113 - QD    LYS+ 106  14.36 +/- 2.03   1.239% *  0.0641% (0.67  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QD    LYS+ 106  18.07 +/- 2.60   0.710% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  13.48 +/- 2.44   2.175% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  20.22 +/- 2.16   0.429% *  0.0796% (0.84  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  15.14 +/- 1.74   1.109% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  17.72 +/- 2.95   0.753% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  17.15 +/- 5.42   1.286% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.19 +/- 2.21   0.882% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  20.49 +/- 5.30   0.646% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  22.61 +/- 3.92   0.757% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.42 +/- 3.03   0.455% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.64 +/- 3.79   0.353% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.82, residual support = 173.6:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.36 +/- 0.16  72.776% * 94.9916% (1.00  10.0  1.00   5.82 173.87) =  99.857%  kept
          HG    LEU   98 - QD    LYS+  99   7.50 +/- 1.12   2.918% *  2.5116% (0.22   1.0  1.00   2.38  17.73) =   0.106%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  11.69 +/- 2.89   2.171% *  0.6859% (0.72   1.0 10.00   0.02   0.02) =   0.022%
          HG2   LYS+  38 - QD    LYS+  99  11.16 +/- 4.71   2.345% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 111 - QD    LYS+  99  20.21 +/- 3.62   0.239% *  0.8519% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   88 - QD    LYS+ 106  13.33 +/- 4.63   2.764% *  0.0555% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    LYS+  99  13.85 +/- 4.42   1.385% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - QD    LYS+ 106  13.75 +/- 4.23   6.185% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  99  15.13 +/- 6.17   1.334% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+ 106  12.73 +/- 0.99   0.506% *  0.0765% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+ 106  11.46 +/- 2.01   1.085% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   8.78 +/- 1.49   1.989% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.61 +/- 2.46   1.140% *  0.0261% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  16.38 +/- 4.16   0.533% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  15.75 +/- 3.66   0.383% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.78 +/- 3.84   0.316% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  14.52 +/- 2.32   0.422% *  0.0433% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  21.24 +/- 5.00   0.245% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.76 +/- 2.26   0.171% *  0.0750% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  16.30 +/- 1.59   0.248% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  21.99 +/- 3.76   0.128% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.15 +/- 1.82   0.239% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  16.61 +/- 3.37   0.285% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  20.18 +/- 3.65   0.195% *  0.0147% (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 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.26, residual support = 173.8:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.34 +/- 0.14  72.736% * 94.6730% (1.00  10.0 10.00   5.26 173.87) =  99.942%  kept
          QG2   THR   39 - QD    LYS+  99   8.59 +/- 4.60  15.429% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.014%
        T HG3   LYS+  38 - QD    LYS+  99  11.31 +/- 5.12   2.318% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+  99 - QD    LYS+ 106  12.49 +/- 1.17   0.541% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.006%
        T HG12  ILE   89 - QD    LYS+ 106  13.46 +/- 4.98   1.258% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.55 +/- 2.59   1.131% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  74 - QD    LYS+ 106  16.67 +/- 3.27   0.292% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  99  18.78 +/- 3.77   0.211% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   ILE   56 - QD    LYS+ 106  11.34 +/- 1.59   0.857% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QD    LYS+  99  15.47 +/- 5.56   1.572% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - QD    LYS+  99  13.69 +/- 5.36   1.074% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  20.20 +/- 3.66   0.256% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  16.73 +/- 2.37   0.280% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QD    LYS+  99  22.39 +/- 4.85   0.130% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  19.12 +/- 2.44   0.166% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106  11.80 +/- 2.08   0.850% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+ 106  14.71 +/- 1.88   0.381% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  18.12 +/- 2.44   0.205% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.23 +/- 3.11   0.177% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.53 +/- 1.59   0.135% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.42, residual support = 173.5:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  83.973% * 93.9393% (1.00  10.0 10.00   4.42 173.87) =  99.807%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.58 +/- 0.85   3.432% *  2.5041% (0.33   1.0  1.00   1.61  11.23) =   0.109%  kept
        T QE    LYS+  38 - QD    LYS+  99   9.77 +/- 4.27   4.772% *  0.8425% (0.90   1.0 10.00   0.02   0.02) =   0.051%
        T QE    LYS+ 102 - QD    LYS+  99   8.42 +/- 1.37   1.830% *  0.6453% (0.69   1.0 10.00   0.02   1.55) =   0.015%
        T QE    LYS+ 102 - QD    LYS+ 106   9.27 +/- 1.94   1.385% *  0.5195% (0.55   1.0 10.00   0.02   0.02) =   0.009%
        T QE    LYS+  99 - QD    LYS+ 106  11.61 +/- 1.40   0.611% *  0.7563% (0.81   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  38 - QD    LYS+ 106  16.61 +/- 2.02   0.201% *  0.6783% (0.72   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.48 +/- 0.96   2.274% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  15.83 +/- 5.13   1.264% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+ 106  16.62 +/- 3.72   0.258% *  0.0339% (0.36   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 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.984, support = 5.28, residual support = 169.5:
    *   T HA    LYS+  99 - QE    LYS+  99   3.80 +/- 0.61  29.645% * 89.6851% (1.00 10.00   5.40 173.87) =  97.399%  kept
          HA    LEU   40 - QE    LYS+  99   7.35 +/- 5.71  22.596% *  1.8836% (0.25  1.00   1.68   8.53) =   1.559%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.65 +/- 0.63   3.395% *  7.1487% (0.68 10.00   0.23   1.55) =   0.889%  kept
          HA    LEU   40 - QE    LYS+  38   7.29 +/- 1.62   8.118% *  0.2747% (0.07  1.00   0.91   0.82) =   0.082%
        T HA    LYS+  99 - QE    LYS+  38  10.41 +/- 3.84   3.452% *  0.2420% (0.27 10.00   0.02   0.02) =   0.031%
          HA    ASN   35 - QE    LYS+  38   6.36 +/- 1.65  10.933% *  0.0234% (0.26  1.00   0.02   0.02) =   0.009%
          HA    ASN   35 - QE    LYS+  99  11.36 +/- 4.42   2.701% *  0.0866% (0.97  1.00   0.02   0.02) =   0.009%
          HA    LEU  123 - QE    LYS+  99  16.66 +/- 8.44   2.439% *  0.0778% (0.87  1.00   0.02   0.02) =   0.007%
          HA    ASN   35 - QE    LYS+ 102  15.11 +/- 5.20   2.223% *  0.0590% (0.66  1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - QE    LYS+ 102  22.54 +/- 6.46   1.177% *  0.0531% (0.59  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QE    LYS+ 102  12.79 +/- 4.21   2.922% *  0.0153% (0.17  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QE    LYS+  38  18.45 +/- 7.06   1.160% *  0.0210% (0.23  1.00   0.02   0.02) =   0.001%
          HA    ILE   56 - QE    LYS+  99  19.79 +/- 2.31   0.266% *  0.0848% (0.95  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  19.82 +/- 2.16   0.274% *  0.0749% (0.84  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QE    LYS+  99  16.17 +/- 6.18   1.130% *  0.0121% (0.14  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QE    LYS+  99  16.84 +/- 3.55   0.515% *  0.0224% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.03 +/- 2.64   0.222% *  0.0511% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.61 +/- 2.50   0.187% *  0.0579% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  22.55 +/- 4.27   0.344% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  18.76 +/- 4.56   1.184% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  23.81 +/- 4.91   0.347% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  19.57 +/- 5.84   0.536% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  13.37 +/- 3.49   1.838% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.49 +/- 3.43   0.294% *  0.0138% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.11 +/- 2.60   0.260% *  0.0153% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.74 +/- 4.89   0.407% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  24.97 +/- 4.95   0.271% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  16.23 +/- 3.15   0.553% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  20.87 +/- 4.15   0.440% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  23.58 +/- 2.88   0.171% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.525, support = 4.59, residual support = 173.8:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  62.052% * 59.4071% (0.41  10.0 10.00   4.42 173.87) =  80.512%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.33 +/- 0.71  23.258% * 38.2766% (1.00   1.0  1.00   5.30 173.87) =  19.443%  kept
        T QD    LYS+  99 - QE    LYS+  38   9.77 +/- 4.27   3.671% *  0.1603% (0.11   1.0 10.00   0.02   0.02) =   0.013%
        T QD    LYS+  99 - QE    LYS+ 102   8.42 +/- 1.37   1.299% *  0.4051% (0.28   1.0 10.00   0.02   1.55) =   0.011%
        T QD    LYS+ 106 - QE    LYS+ 102   9.27 +/- 1.94   0.986% *  0.3699% (0.26   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 106 - QE    LYS+  99  11.61 +/- 1.40   0.440% *  0.5423% (0.38   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LYS+  99 - QE    LYS+ 102   8.36 +/- 1.24   1.197% *  0.0985% (0.68   1.0  1.00   0.02   1.55) =   0.003%
          HB3   LYS+  99 - QE    LYS+  38  11.24 +/- 4.27   1.789% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - QE    LYS+  38  15.27 +/- 3.77   4.185% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+  99  16.06 +/- 1.85   0.153% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.61 +/- 2.02   0.147% *  0.1463% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.29 +/- 1.93   0.105% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  21.16 +/- 5.28   0.118% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  22.48 +/- 4.04   0.075% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  15.71 +/- 4.10   0.202% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  18.65 +/- 3.66   0.167% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  19.08 +/- 3.41   0.098% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  25.10 +/- 5.50   0.056% *  0.0298% (0.21   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.919, support = 4.68, residual support = 175.9:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.69 +/- 0.45  34.503% * 83.9532% (1.00  10.0 10.00   4.74 173.87) =  90.620%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.83 +/- 0.51  30.985% *  8.5005% (0.10  10.0 10.00   4.40 221.19) =   8.240%  kept
          QG2   THR   39 - QE    LYS+  99   7.87 +/- 5.02   9.266% *  2.1957% (0.65   1.0  1.00   0.81   0.02) =   0.637%  kept
          QG2   THR   39 - QE    LYS+  38   5.91 +/- 1.10   5.027% *  2.6316% (0.17   1.0  1.00   3.59  30.35) =   0.414%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   8.99 +/- 1.73   1.798% *  0.5725% (0.68   1.0 10.00   0.02   1.55) =   0.032%
        T HG3   LYS+  99 - QE    LYS+  38  10.60 +/- 5.25   3.411% *  0.2265% (0.27   1.0 10.00   0.02   0.02) =   0.024%
        T HG3   LYS+  38 - QE    LYS+  99  11.16 +/- 5.19   1.455% *  0.3151% (0.38   1.0 10.00   0.02   0.02) =   0.014%
          HG    LEU   71 - QE    LYS+  99  12.53 +/- 5.94   1.229% *  0.0832% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QE    LYS+  38   9.73 +/- 3.56   3.616% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - QE    LYS+  99  14.48 +/- 5.93   0.983% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QE    LYS+  38  12.97 +/- 3.11   3.346% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - QE    LYS+ 102  15.58 +/- 4.70   0.318% *  0.2149% (0.26   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+ 102  20.59 +/- 6.00   0.219% *  0.2354% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+  99  22.18 +/- 4.33   0.108% *  0.3451% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+ 102  13.13 +/- 3.90   0.934% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  17.90 +/- 4.13   0.232% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 102  18.56 +/- 4.36   0.190% *  0.0567% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  25.05 +/- 5.84   0.099% *  0.0931% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  19.37 +/- 4.59   0.162% *  0.0542% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  21.05 +/- 3.17   0.101% *  0.0571% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.21 +/- 1.22   0.104% *  0.0543% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  18.62 +/- 2.46   0.146% *  0.0370% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  17.31 +/- 4.00   0.213% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  20.01 +/- 3.08   0.164% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.22 +/- 2.04   0.200% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  18.65 +/- 3.93   0.706% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  20.39 +/- 3.65   0.136% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.09 +/- 2.19   0.147% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  21.30 +/- 3.01   0.127% *  0.0147% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  25.03 +/- 4.06   0.076% *  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 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 = 75.3:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.77 +/- 0.23  69.651% * 99.1823% (1.00  10.0 10.00   4.26  75.33) =  99.984%  kept
        T HB2   GLU- 100 - HA    LYS+  38  10.50 +/- 6.94  14.233% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.012%
          HB3   PHE   97 - HA    GLU- 100  11.51 +/- 0.80   1.058% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    GLU- 100  12.84 +/- 5.08   2.868% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  25.96 +/- 3.22   0.104% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    LYS+  38   9.48 +/- 1.99  10.358% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  20.56 +/- 3.83   0.252% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.27 +/- 2.10   0.101% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  22.98 +/- 3.68   0.260% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  14.42 +/- 1.90   0.658% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  20.17 +/- 3.67   0.306% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  23.71 +/- 4.03   0.151% *  0.0059% (0.06   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 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.3:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.69 +/- 0.28  62.645% * 99.2716% (1.00  10.0 10.00   4.26  75.33) =  99.978%  kept
        T HB3   GLU- 100 - HA    LYS+  38  10.09 +/- 7.06  18.135% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.017%
          HB2   GLN   30 - HA    GLU- 100  13.65 +/- 5.48   0.992% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLU- 100  14.82 +/- 5.96   0.902% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    GLU- 100  20.28 +/- 1.22   0.174% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  12.27 +/- 3.97  11.054% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  22.89 +/- 4.02   0.138% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  20.64 +/- 6.23   0.237% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  17.00 +/- 6.33   0.585% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  10.28 +/- 1.75   1.444% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  11.31 +/- 2.07   1.174% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.38 +/- 6.39   0.276% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  22.76 +/- 1.99   0.124% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  29.27 +/- 3.53   0.061% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  24.78 +/- 3.36   0.156% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  15.38 +/- 2.73   0.589% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  20.49 +/- 4.10   0.248% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  15.67 +/- 3.35   0.568% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  22.81 +/- 1.92   0.119% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  22.00 +/- 3.27   0.189% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  27.65 +/- 3.63   0.071% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  25.58 +/- 3.48   0.117% *  0.0017% (0.02   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 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 4.69, residual support = 75.0:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.87 +/- 0.44  60.217% * 98.5161% (1.00  10.0 10.00   4.71  75.33) =  99.533%  kept
        T HG2   GLU- 100 - HA    LYS+  38   9.71 +/- 7.27  26.298% *  1.0473% (0.06   1.0 10.00   0.35   0.02) =   0.462%  kept
          HB2   MET   96 - HA    GLU- 100  13.23 +/- 1.13   0.887% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    GLU- 100  16.88 +/- 5.80   1.594% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.33 +/- 1.31   0.617% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HA    GLU- 100  20.92 +/- 6.46   1.403% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  15.99 +/- 5.95   0.680% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  21.99 +/- 3.93   0.181% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.20 +/- 6.35   0.704% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.15 +/- 2.75   4.115% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.12 +/- 1.53   0.104% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  15.33 +/- 1.72   0.539% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.15 +/- 2.16   0.890% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  20.62 +/- 3.54   0.283% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.49 +/- 1.95   0.319% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  14.05 +/- 3.29   0.750% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  26.21 +/- 3.54   0.163% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.79 +/- 1.89   0.257% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.3:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.77 +/- 0.23  82.721% * 98.6741% (1.00  10.0 10.00   4.26  75.33) =  99.953%  kept
        T HA    LYS+  38 - HB2   GLU- 100  10.50 +/- 6.94  16.741% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.045%
        T HD2   PRO   58 - HB2   GLU- 100  27.11 +/- 2.73   0.110% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB2   GLU- 100  24.51 +/- 7.08   0.301% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.02 +/- 3.49   0.128% *  0.0406% (0.41   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 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 = 75.3:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  98.677% * 99.3690% (1.00  10.0 10.00   2.00  75.33) =  99.999%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.19 +/- 5.23   0.369% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.33 +/- 5.81   0.392% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.70 +/- 1.22   0.062% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  23.55 +/- 4.27   0.054% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  21.80 +/- 6.44   0.085% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  18.25 +/- 5.94   0.166% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  23.87 +/- 1.78   0.042% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  21.90 +/- 6.00   0.089% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  30.42 +/- 3.67   0.022% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  25.25 +/- 3.09   0.042% *  0.0276% (0.28   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 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.3:
    * O T HG2   GLU- 100 - HB2   GLU- 100   3.00 +/- 0.05  93.425% * 99.5837% (1.00  10.0 10.00   3.23  75.33) =  99.997%  kept
          HB2   ASP- 105 - HB2   GLU- 100  14.40 +/- 1.67   0.997% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  14.10 +/- 0.97   0.948% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   GLU- 100  18.19 +/- 5.69   1.198% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  23.44 +/- 3.78   0.299% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  17.28 +/- 5.91   0.859% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.28 +/- 6.39   1.425% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.50 +/- 6.04   0.718% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.08 +/- 1.46   0.130% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.26, residual support = 75.3:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.69 +/- 0.28  77.476% * 99.5406% (1.00  10.0 10.00   4.26  75.33) =  99.936%  kept
        T HA    LYS+  38 - HB3   GLU- 100  10.09 +/- 7.06  22.086% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.063%
          HA    VAL   83 - HB3   GLU- 100  24.69 +/- 7.14   0.243% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  27.09 +/- 2.30   0.086% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  27.03 +/- 3.32   0.108% *  0.0409% (0.41   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 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.3:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  98.212% * 99.6840% (1.00  10.0 10.00   2.00  75.33) =  99.999%  kept
          QG    GLN   32 - HB3   GLU- 100  13.30 +/- 5.24   1.330% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU- 100  11.97 +/- 0.93   0.328% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  21.79 +/- 3.29   0.067% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.93 +/- 2.49   0.033% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  26.99 +/- 3.12   0.030% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.23, residual support = 75.3:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.56 +/- 0.20  95.671% * 99.0882% (1.00  10.0 10.00   3.23  75.33) =  99.995%  kept
        T HB    VAL   70 - HB3   GLU- 100  17.12 +/- 5.61   0.512% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB3   GLU- 100  19.15 +/- 6.00   0.480% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   GLU- 100  14.55 +/- 1.64   0.812% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU- 100  14.21 +/- 0.61   0.596% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.84 +/- 5.95   0.923% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  23.44 +/- 3.46   0.172% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.05 +/- 6.45   0.747% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  27.21 +/- 1.52   0.087% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.987, support = 4.64, residual support = 74.1:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.87 +/- 0.44  69.360% * 96.0102% (1.00  10.0 10.00   4.71  75.33) =  98.323%  kept
        T HA    LYS+  38 - HG2   GLU- 100   9.71 +/- 7.27  30.193% *  3.7604% (0.22   1.0 10.00   0.35   0.02) =   1.676%  kept
          HA    VAL   83 - HG2   GLU- 100  25.16 +/- 7.18   0.222% *  0.0958% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  26.93 +/- 2.41   0.117% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.10 +/- 3.01   0.108% *  0.0395% (0.41   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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.3:
    * O T HB2   GLU- 100 - HG2   GLU- 100   3.00 +/- 0.05  90.837% * 99.6840% (1.00  10.0 10.00   3.23  75.33) =  99.996%  kept
          QG    GLN   32 - HG2   GLU- 100  13.10 +/- 5.54   6.924% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HG2   GLU- 100  12.02 +/- 1.32   1.613% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  79 - HG2   GLU- 100  22.15 +/- 3.51   0.316% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.68 +/- 2.86   0.163% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.74 +/- 3.35   0.147% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 75.3:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.56 +/- 0.20  93.247% * 98.4783% (1.00  10.0 10.00   3.23  75.33) =  99.991%  kept
          HG3   GLN   30 - HG2   GLU- 100  15.66 +/- 6.57   2.877% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - HG2   GLU- 100  14.64 +/- 5.86   1.902% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PRO   68 - HG2   GLU- 100  21.14 +/- 6.18   0.259% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HG2   GLU- 100  17.20 +/- 6.07   0.610% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   17 - HG2   GLU- 100  20.92 +/- 6.43   0.348% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   GLU- 100  23.25 +/- 4.56   0.193% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  21.17 +/- 1.62   0.201% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.02 +/- 1.67   0.127% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  30.38 +/- 3.36   0.066% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  25.41 +/- 3.58   0.170% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  21.16 +/- 4.60   0.082% *  0.0375% (0.38   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 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  98.592% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.999%  kept
          HA    ALA   34 - HA2   GLY  101  13.51 +/- 6.42   0.810% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HA2   GLY  101  16.09 +/- 6.02   0.283% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.99 +/- 6.50   0.121% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.51 +/- 2.01   0.058% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  23.53 +/- 1.87   0.043% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  26.15 +/- 7.64   0.063% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  27.74 +/- 3.48   0.031% *  0.0277% (0.28   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 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 = 158.3:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.39 +/- 0.13  86.966% * 90.1301% (1.00  10.0 10.00   6.31 159.85) =  98.871%  kept
          HG12  ILE  103 - HA    LYS+ 102   5.10 +/- 0.53   9.796% *  9.0391% (0.34   1.0  1.00   5.88  23.01) =   1.117%  kept
        T HB    VAL   41 - HA    LYS+ 102  10.83 +/- 3.57   1.980% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.011%
          HB2   LEU   71 - HA    LYS+ 102  18.08 +/- 5.47   0.368% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  21.10 +/- 4.00   0.208% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.30 +/- 2.73   0.144% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.03 +/- 1.24   0.115% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  23.27 +/- 4.82   0.183% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  24.33 +/- 5.78   0.157% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.81 +/- 3.87   0.083% *  0.0139% (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 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.8:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.04 +/- 0.55  90.201% * 99.3298% (1.00  10.0 10.00   5.75 159.85) =  99.993%  kept
          HG    LEU   40 - HA    LYS+ 102  13.17 +/- 4.67   3.389% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - HA    LYS+ 102  17.55 +/- 3.98   0.788% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HA    LYS+ 102  21.93 +/- 4.61   0.571% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LYS+ 102  19.33 +/- 4.64   0.696% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 102  19.64 +/- 4.48   0.641% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.84 +/- 2.44   0.446% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  19.34 +/- 2.13   0.499% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  18.78 +/- 4.09   0.790% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  18.96 +/- 2.08   0.579% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  21.71 +/- 4.95   0.433% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.21 +/- 4.58   0.578% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  20.82 +/- 2.54   0.388% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 158.2:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.92 +/- 0.69  57.048% * 94.3153% (1.00  10.0 10.00   5.05 159.85) =  98.942%  kept
          QB    LEU   98 - HA    LYS+ 102   4.54 +/- 0.53  21.803% *  2.5050% (0.34   1.0  1.00   1.56   2.22) =   1.004%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.72 +/- 1.01   1.996% *  0.8922% (0.95   1.0 10.00   0.02   0.02) =   0.033%
        T HG3   LYS+  33 - HA    LYS+ 102  17.29 +/- 4.35   0.445% *  0.8922% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   98 - HA    LYS+ 102   6.21 +/- 1.27  14.366% *  0.0262% (0.28   1.0  1.00   0.02   2.22) =   0.007%
        T HG3   LYS+  65 - HA    LYS+ 102  24.12 +/- 2.89   0.135% *  0.9245% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - HA    LYS+ 102  13.79 +/- 3.11   0.953% *  0.0924% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+ 102  23.70 +/- 5.01   1.351% *  0.0572% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    LYS+ 102  17.91 +/- 3.93   0.404% *  0.0941% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+ 102  24.07 +/- 3.38   0.163% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  19.54 +/- 4.74   0.406% *  0.0354% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.17 +/- 1.10   0.222% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  20.53 +/- 5.67   0.409% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  20.71 +/- 4.01   0.299% *  0.0146% (0.15   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 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.42 +/- 0.75  75.016% * 98.2489% (1.00 10.00   5.05 159.85) =  99.977%  kept
        T HD2   LYS+ 111 - HA    LYS+ 102  22.67 +/- 4.33   0.778% *  0.6749% (0.69 10.00   0.02   0.02) =   0.007%
          QD    LYS+  38 - HA    LYS+ 102  13.16 +/- 4.65   4.734% *  0.0787% (0.80  1.00   0.02   0.02) =   0.005%
          QD    LYS+  99 - HA    LYS+ 102   7.80 +/- 1.17   9.563% *  0.0219% (0.22  1.00   0.02   1.55) =   0.003%
        T QD    LYS+  65 - HA    LYS+ 102  22.64 +/- 2.76   0.372% *  0.5562% (0.57 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HA    LYS+ 102   9.55 +/- 1.42   5.331% *  0.0245% (0.25  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LYS+ 102  19.16 +/- 6.74   1.531% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  23.68 +/- 6.09   0.678% *  0.0907% (0.92  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 102  21.35 +/- 5.53   0.588% *  0.0636% (0.65  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 102  22.35 +/- 1.03   0.340% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  18.76 +/- 3.87   0.704% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.81 +/- 0.92   0.365% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.7:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.46 +/- 0.43  90.176% * 98.4155% (1.00 10.00   5.05 159.85) =  99.917%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.66 +/- 1.49   6.656% *  0.6760% (0.69 10.00   0.02   1.55) =   0.051%
        T QE    LYS+  38 - HA    LYS+ 102  13.56 +/- 3.90   3.168% *  0.9085% (0.92 10.00   0.02   0.02) =   0.032%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.8:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.39 +/- 0.13  91.014% * 99.1785% (1.00  10.0 10.00   6.31 159.85) =  99.986%  kept
        T HA    LYS+ 102 - HB    VAL   41  10.83 +/- 3.57   2.082% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.010%
          HA    CYS   21 - QB    LYS+ 102  19.02 +/- 5.75   2.190% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HB    VAL   41  12.66 +/- 3.89   1.903% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - QB    LYS+ 102  19.53 +/- 4.73   0.642% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.17 +/- 5.36   0.182% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  12.92 +/- 3.96   1.141% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  18.99 +/- 1.16   0.196% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.26 +/- 4.87   0.178% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  19.39 +/- 2.02   0.208% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  21.03 +/- 2.70   0.158% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  23.32 +/- 2.18   0.107% *  0.0288% (0.29   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 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 = 158.9:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.13  67.782% * 89.8086% (1.00  10.0 10.00   5.31 159.85) =  99.325%  kept
          HG    LEU   40 - HB    VAL   41   6.19 +/- 0.73   4.345% *  6.1885% (0.36   1.0  1.00   3.83  20.55) =   0.439%  kept
          HG    LEU   73 - HB    VAL   41   8.58 +/- 3.71  13.281% *  0.9722% (0.44   1.0  1.00   0.49   0.02) =   0.211%  kept
        T HG2   LYS+ 102 - HB    VAL   41  12.68 +/- 3.73   0.837% *  0.4035% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HG    LEU   67 - HB    VAL   41  11.22 +/- 2.12   1.005% *  0.2772% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   40 - QB    LYS+ 102  12.03 +/- 4.31   3.004% *  0.0719% (0.80   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   67 - QB    LYS+ 102  17.67 +/- 4.28   0.309% *  0.6169% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - QB    LYS+ 102  19.97 +/- 4.30   0.240% *  0.7790% (0.87   1.0 10.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - HB    VAL   41  14.83 +/- 2.48   0.411% *  0.3500% (0.39   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - HB    VAL   41  14.94 +/- 3.89   1.177% *  0.0323% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HB    VAL   41  11.36 +/- 2.40   1.029% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  16.74 +/- 3.62   0.253% *  0.0880% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.57 +/- 3.97   2.098% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  17.96 +/- 4.13   0.280% *  0.0617% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  12.71 +/- 2.15   0.718% *  0.0212% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.13 +/- 2.46   0.184% *  0.0719% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  17.88 +/- 2.02   0.193% *  0.0473% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  16.54 +/- 3.90   0.368% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  17.57 +/- 4.43   0.358% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  16.77 +/- 4.52   0.485% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.48 +/- 1.85   0.211% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  16.13 +/- 3.86   0.570% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  20.84 +/- 4.42   0.160% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.99 +/- 2.54   0.150% *  0.0224% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  15.58 +/- 3.10   0.316% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  16.96 +/- 2.31   0.238% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.927, support = 4.6, residual support = 146.2:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.16  44.481% * 58.8431% (1.00  10.0 10.00   4.75 159.85) =  90.050%  kept
        T QB    LEU   98 - HB    VAL   41   5.77 +/- 3.43  18.565% *  9.0189% (0.15   1.0 10.00   2.84  22.81) =   5.760%  kept
        T HB    VAL   42 - HB    VAL   41   5.41 +/- 0.41   4.071% * 25.9164% (0.44   1.0 10.00   4.14  24.24) =   3.629%  kept
          QB    LEU   98 - QB    LYS+ 102   5.17 +/- 0.75   6.784% *  1.5254% (0.34   1.0  1.00   1.52   2.22) =   0.356%  kept
          HG    LEU   98 - HB    VAL   41   6.30 +/- 3.30  13.493% *  0.3101% (0.12   1.0  1.00   0.84  22.81) =   0.144%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   9.25 +/- 0.85   0.832% *  0.5566% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HB    VAL   42 - QB    LYS+ 102  12.98 +/- 2.74   0.421% *  0.5768% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 106 - HB    VAL   41  11.61 +/- 2.29   0.863% *  0.2501% (0.43   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - HB    VAL   41  10.69 +/- 2.53   0.772% *  0.2501% (0.43   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  33 - QB    LYS+ 102  15.85 +/- 4.20   0.263% *  0.5566% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 102 - HB    VAL   41  13.09 +/- 3.63   0.399% *  0.2644% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+ 112 - QB    LYS+ 102  21.93 +/- 3.21   0.138% *  0.5832% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+ 112 - HB    VAL   41  20.08 +/- 3.91   0.261% *  0.2621% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HB    VAL   41   8.99 +/- 2.94   2.343% *  0.0264% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - HB    VAL   41  15.87 +/- 2.61   0.207% *  0.2592% (0.44   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QB    LYS+ 102  22.16 +/- 2.82   0.075% *  0.5768% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QB    LYS+ 102   6.73 +/- 1.08   2.529% *  0.0164% (0.28   1.0  1.00   0.02   2.22) =   0.001%
          QB    ALA   12 - QB    LYS+ 102  21.16 +/- 4.34   0.294% *  0.0357% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  17.08 +/- 3.68   0.142% *  0.0587% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  11.62 +/- 3.24   1.437% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  14.77 +/- 2.86   0.445% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  18.61 +/- 4.14   0.153% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  17.90 +/- 5.39   0.282% *  0.0116% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.51 +/- 3.58   0.179% *  0.0160% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  18.93 +/- 1.03   0.095% *  0.0242% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  16.93 +/- 3.43   0.212% *  0.0099% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.58 +/- 3.70   0.114% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.27 +/- 4.06   0.153% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 159.8:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.23 +/- 0.27  76.699% * 94.6216% (1.00  10.0 10.00   4.75 159.85) =  99.952%  kept
        T QD    LYS+  38 - QB    LYS+ 102  11.66 +/- 4.48   1.914% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.020%
        T QD    LYS+  38 - HB    VAL   41  10.06 +/- 1.86   1.574% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+ 102 - HB    VAL   41  12.09 +/- 2.98   0.924% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   PRO   93 - HB    VAL   41  17.09 +/- 3.01   0.420% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QB    LYS+ 102   6.31 +/- 1.38   6.668% *  0.0211% (0.22   1.0  1.00   0.02   1.55) =   0.002%
        T QD    LYS+  65 - HB    VAL   41  15.26 +/- 2.65   0.562% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - QB    LYS+ 102  20.63 +/- 3.99   0.169% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   93 - QB    LYS+ 102  20.86 +/- 1.06   0.108% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  18.44 +/- 4.76   0.234% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QB    LYS+ 102  20.79 +/- 2.59   0.123% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB    VAL   41   9.76 +/- 3.16   2.643% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB    VAL   41  21.54 +/- 3.50   0.139% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   9.17 +/- 1.18   1.675% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+ 102  16.89 +/- 6.27   0.774% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - QB    LYS+ 102  20.91 +/- 5.81   0.265% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   9.80 +/- 2.65   2.034% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  15.19 +/- 4.55   0.677% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  17.47 +/- 4.56   0.462% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.63 +/- 2.29   1.181% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  20.49 +/- 4.88   0.202% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  17.84 +/- 3.64   0.196% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.49 +/- 0.98   0.117% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  17.80 +/- 2.41   0.240% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.69, residual support = 157.9:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.70 +/- 0.49  71.094% * 84.0295% (1.00 10.00   4.75 159.85) =  98.753%  kept
        T QE    LYS+  99 - HB    VAL   41   9.25 +/- 3.03   3.877% * 10.9902% (0.31 10.00   0.85   0.02) =   0.704%  kept
        T QE    LYS+  38 - HB    VAL   41  10.10 +/- 2.58   6.817% *  3.2498% (0.41 10.00   0.19   0.02) =   0.366%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.30 +/- 1.57  14.336% *  0.5772% (0.69 10.00   0.02   1.55) =   0.137%  kept
        T QE    LYS+  38 - QB    LYS+ 102  11.97 +/- 3.77   2.305% *  0.7757% (0.92 10.00   0.02   0.02) =   0.030%
        T QE    LYS+ 102 - HB    VAL   41  12.21 +/- 2.95   1.571% *  0.3776% (0.45 10.00   0.02   0.02) =   0.010%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.8:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.04 +/- 0.55  97.343% * 99.7392% (1.00  10.0 10.00   5.75 159.85) =  99.998%  kept
          HA    CYS   21 - HG2   LYS+ 102  21.77 +/- 6.29   0.968% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG2   LYS+ 102  30.34 +/- 6.00   0.426% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.21 +/- 5.46   0.420% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.42 +/- 1.38   0.333% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.44 +/- 5.20   0.511% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.31, residual support = 159.4:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.37 +/- 0.13  94.096% * 91.7114% (1.00  10.0 10.00   5.31 159.85) =  99.712%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.49 +/- 0.88   3.523% *  6.8762% (0.34   1.0  1.00   4.40  23.01) =   0.280%  kept
        T HB    VAL   41 - HG2   LYS+ 102  12.68 +/- 3.73   1.140% *  0.4464% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T QB    LYS+  66 - HG2   LYS+ 102  22.33 +/- 4.70   0.182% *  0.6300% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+ 102  19.34 +/- 5.86   0.408% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.72 +/- 3.41   0.132% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.07 +/- 1.67   0.097% *  0.0847% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  24.14 +/- 5.21   0.160% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  25.50 +/- 6.22   0.153% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.74 +/- 4.38   0.109% *  0.0142% (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 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  94.603% * 96.7067% (1.00  10.0 10.00   4.42 159.85) =  99.992%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.49 +/- 1.44   0.402% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - HG2   LYS+ 102  18.09 +/- 5.02   0.145% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HG2   LYS+ 102   6.46 +/- 0.87   2.279% *  0.0330% (0.34   1.0  1.00   0.02   2.22) =   0.001%
          HG    LEU   98 - HG2   LYS+ 102   8.10 +/- 1.54   1.373% *  0.0269% (0.28   1.0  1.00   0.02   2.22) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.69 +/- 3.56   0.037% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  23.94 +/- 5.39   0.469% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  15.55 +/- 3.53   0.198% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.69 +/- 4.15   0.087% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  25.83 +/- 3.52   0.047% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  21.24 +/- 4.79   0.092% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  21.14 +/- 6.10   0.151% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.24 +/- 1.49   0.049% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.61 +/- 4.27   0.068% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.25 +/- 0.13  92.536% * 98.2489% (1.00  10.0 10.00   4.42 159.85) =  99.995%  kept
          QD    LYS+  38 - HG2   LYS+ 102  13.53 +/- 5.49   1.657% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   7.84 +/- 1.51   3.407% *  0.0219% (0.22   1.0  1.00   0.02   1.55) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.31 +/- 4.21   0.110% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  24.04 +/- 3.23   0.090% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG2   LYS+ 102  20.28 +/- 7.05   0.685% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.18 +/- 1.51   0.911% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  24.73 +/- 6.54   0.163% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  23.34 +/- 5.47   0.124% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.41 +/- 1.35   0.076% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  20.53 +/- 4.12   0.160% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.89 +/- 1.45   0.082% *  0.0556% (0.57   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 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.41, residual support = 159.7:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.05 +/- 0.44  89.964% * 98.4155% (1.00  10.0 10.00   4.42 159.85) =  99.915%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.97 +/- 1.66   6.811% *  0.6760% (0.69   1.0 10.00   0.02   1.55) =   0.052%
        T QE    LYS+  38 - HG2   LYS+ 102  13.85 +/- 4.78   3.225% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.033%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.92 +/- 0.69  72.521% * 97.9004% (1.00  10.0 10.00   5.05 159.85) =  99.977%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.72 +/- 1.01   2.909% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LYS+ 102 - HG3   LYS+  33  17.29 +/- 4.35   0.616% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LYS+ 102 - HG3   LYS+  65  24.12 +/- 2.89   0.193% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  33  10.77 +/- 2.33   3.208% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+ 102  22.30 +/- 6.26   1.234% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+  65  15.55 +/- 3.30   1.166% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG3   LYS+  65  18.03 +/- 6.91   1.291% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  65  13.03 +/- 4.82   2.967% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HG3   LYS+ 106  19.02 +/- 5.68   4.454% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HG3   LYS+ 102  30.05 +/- 5.96   0.541% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  15.86 +/- 4.62   0.754% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  21.52 +/- 5.78   1.969% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  27.95 +/- 5.38   0.462% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  12.00 +/- 1.75   1.848% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.89 +/- 0.54   1.506% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  20.82 +/- 2.57   0.320% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.91 +/- 5.18   0.562% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  21.88 +/- 1.53   0.228% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.62 +/- 4.39   0.495% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.55 +/- 2.61   0.108% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.57 +/- 2.72   0.143% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.00 +/- 1.82   0.128% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  20.42 +/- 3.47   0.377% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.905, support = 5.2, residual support = 157.6:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.37 +/- 0.16  37.476% * 49.4998% (1.00  10.0 10.00   4.75 159.85) =  55.514%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.41 +/- 0.15  36.028% * 39.4849% (0.80  10.0  1.00   5.84 160.32) =  42.571%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.29 +/- 1.24   9.706% *  5.9190% (0.56   1.0  1.00   4.28  31.47) =   1.719%  kept
          HG12  ILE  103 - HG3   LYS+ 102   7.24 +/- 1.06   1.837% *  3.2618% (0.34   1.0  1.00   3.86  23.01) =   0.179%  kept
        T HB    VAL   41 - HG3   LYS+ 102  13.09 +/- 3.63   0.409% *  0.2409% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - HG3   LYS+  33  10.69 +/- 2.53   0.572% *  0.1197% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.25 +/- 0.85   0.666% *  0.0902% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+  33  15.85 +/- 4.20   0.202% *  0.2459% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  33   9.94 +/- 2.40   1.685% *  0.0237% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG3   LYS+  65  14.65 +/- 3.82   0.946% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  65  13.63 +/- 3.09   0.888% *  0.0389% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+  65  15.87 +/- 2.61   0.160% *  0.1961% (0.40   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  11.61 +/- 2.29   0.665% *  0.0439% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  22.16 +/- 2.82   0.058% *  0.4028% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  33  12.30 +/- 2.95   1.317% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   5.72 +/- 1.50   4.309% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65  13.76 +/- 4.83   0.441% *  0.0196% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  19.93 +/- 5.61   0.129% *  0.0478% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  16.43 +/- 2.81   0.163% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.29 +/- 3.12   0.193% *  0.0169% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  22.62 +/- 4.54   0.081% *  0.0340% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  23.01 +/- 3.10   0.051% *  0.0485% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  24.11 +/- 4.02   0.078% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.84 +/- 1.54   0.039% *  0.0457% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  22.39 +/- 5.47   0.447% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.35 +/- 1.50   0.185% *  0.0083% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  24.76 +/- 4.85   0.051% *  0.0241% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.90 +/- 2.98   0.125% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  15.50 +/- 2.51   0.168% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  18.40 +/- 3.45   0.151% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  20.60 +/- 2.64   0.068% *  0.0137% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.87 +/- 2.28   0.102% *  0.0088% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  18.70 +/- 3.57   0.098% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.78 +/- 3.14   0.097% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  25.55 +/- 6.09   0.064% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.38 +/- 4.24   0.037% *  0.0076% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  23.38 +/- 3.34   0.050% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.72 +/- 4.00   0.153% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  19.88 +/- 4.22   0.085% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.30 +/- 2.49   0.019% *  0.0038% (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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.994, support = 4.41, residual support = 157.3:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  71.177% * 84.9466% (1.00  10.0 10.00   4.42 159.85) =  98.067%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.41 +/- 1.38   9.545% * 12.1791% (0.71   1.0  1.00   4.06  31.47) =   1.886%  kept
          QB    ALA   61 - HG3   LYS+  65   5.36 +/- 2.05   9.252% *  0.2740% (0.43   1.0  1.00   0.15   0.02) =   0.041%
        T HG2   LYS+ 102 - HG3   LYS+  33  18.09 +/- 5.02   0.109% *  0.4220% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.49 +/- 1.44   0.297% *  0.1548% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   8.18 +/- 1.22   0.916% *  0.0475% (0.56   1.0  1.00   0.02   0.33) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   8.67 +/- 1.44   0.746% *  0.0475% (0.56   1.0  1.00   0.02   0.33) =   0.001%
          HG    LEU   73 - HG3   LYS+  33  11.00 +/- 2.96   0.555% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  12.46 +/- 2.32   0.319% *  0.0678% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  14.94 +/- 4.98   0.303% *  0.0680% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.69 +/- 3.56   0.028% *  0.6913% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.56 +/- 2.24   1.115% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  16.31 +/- 3.28   0.461% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.08 +/- 2.06   0.177% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  11.91 +/- 1.42   0.264% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.69 +/- 1.48   0.134% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  15.12 +/- 2.55   0.357% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  19.73 +/- 4.05   0.063% *  0.0833% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  14.40 +/- 2.29   0.172% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  23.47 +/- 5.07   0.066% *  0.0737% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  16.81 +/- 3.26   0.130% *  0.0366% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.49 +/- 2.33   0.161% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  21.05 +/- 5.03   0.075% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  21.42 +/- 4.81   0.068% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  18.82 +/- 4.55   0.168% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  14.28 +/- 4.01   0.207% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  12.91 +/- 2.93   0.255% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.35 +/- 2.69   0.046% *  0.0680% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  12.61 +/- 2.56   0.240% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.52 +/- 2.92   0.124% *  0.0213% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  15.09 +/- 1.84   0.130% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  19.56 +/- 4.46   0.105% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.02 +/- 2.42   0.047% *  0.0447% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.68 +/- 1.82   0.440% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  16.21 +/- 3.90   0.129% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  22.31 +/- 3.80   0.052% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.14 +/- 2.51   0.060% *  0.0262% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  19.31 +/- 3.68   0.111% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  20.80 +/- 4.96   0.069% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  17.72 +/- 3.71   0.121% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  19.93 +/- 3.89   0.118% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  23.66 +/- 5.02   0.042% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  14.89 +/- 2.03   0.149% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  21.84 +/- 5.88   0.083% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  17.70 +/- 3.66   0.110% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.30 +/- 2.67   0.039% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.25 +/- 2.75   0.215% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  14.51 +/- 3.14   0.187% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  19.03 +/- 4.72   0.125% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  23.49 +/- 3.70   0.042% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.83 +/- 2.22   0.031% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.75 +/- 3.27   0.062% *  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 = 0.798, support = 4.13, residual support = 159.1:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.45 +/- 0.13  28.503% * 63.6907% (1.00  10.0 10.00   4.00 159.85) =  65.031%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.41 +/- 0.16  30.104% * 29.3443% (0.46  10.0 10.00   4.35 160.32) =  31.644%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.36 +/- 0.16  31.865% *  2.8935% (0.05  10.0  1.00   4.62 134.86) =   3.303%  kept
        T HB2   LEU   73 - HG3   LYS+  65  11.76 +/- 2.38   0.453% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - HG3   LYS+  33  11.85 +/- 3.27   0.610% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   LYS+ 106  10.18 +/- 1.35   0.470% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  33  17.03 +/- 4.32   0.149% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.22 +/- 3.40   0.493% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.09 +/- 3.49   0.092% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+  65  18.67 +/- 4.45   0.694% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 102  14.11 +/- 5.27   0.484% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+ 102  23.84 +/- 4.35   0.052% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  23.42 +/- 3.08   0.042% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  33  17.48 +/- 2.65   0.103% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+  33   9.84 +/- 1.42   0.646% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+  65  14.65 +/- 3.51   0.331% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  20.93 +/- 4.12   0.055% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 102   8.50 +/- 1.29   0.924% *  0.0142% (0.22   1.0  1.00   0.02   1.55) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.36 +/- 2.94   0.033% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.69 +/- 1.78   0.439% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  17.48 +/- 3.90   0.213% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  20.23 +/- 7.01   0.177% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  22.56 +/- 5.37   0.198% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  16.61 +/- 2.80   0.120% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  17.06 +/- 4.14   0.119% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  29.50 +/- 4.27   0.022% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  17.25 +/- 3.15   0.159% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  24.77 +/- 6.45   0.073% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.30 +/- 2.27   0.065% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  19.53 +/- 3.97   0.101% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  24.23 +/- 4.12   0.082% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  23.25 +/- 5.51   0.049% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  14.84 +/- 6.11   0.326% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.82 +/- 4.34   0.280% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.20 +/- 1.26   0.031% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.80 +/- 1.24   0.135% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  23.71 +/- 6.04   0.068% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  20.40 +/- 4.66   0.083% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  19.28 +/- 3.82   0.107% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.57 +/- 1.23   0.033% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.93 +/- 1.24   0.160% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.95 +/- 1.13   0.384% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  19.29 +/- 4.51   0.088% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  17.73 +/- 4.51   0.124% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.24 +/- 2.49   0.096% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.05 +/- 2.27   0.067% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  25.64 +/- 3.22   0.039% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.62 +/- 2.09   0.059% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.0, residual support = 159.7:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.32 +/- 0.34  88.132% * 94.7812% (1.00  10.0 10.00   4.00 159.85) =  99.936%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.63 +/- 1.55   1.797% *  0.6511% (0.69   1.0 10.00   0.02   1.55) =   0.014%
        T QE    LYS+  38 - HG3   LYS+  65  18.50 +/- 4.29   1.339% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+  38 - HG3   LYS+  33   9.87 +/- 1.74   2.144% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+  38 - HG3   LYS+ 102  14.44 +/- 4.52   0.851% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.009%
        T QE    LYS+  99 - HG3   LYS+  33  13.09 +/- 4.48   1.824% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.76 +/- 1.69   1.507% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+ 102 - HG3   LYS+  33  17.50 +/- 4.35   0.505% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+  65  18.12 +/- 4.56   0.427% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - HG3   LYS+ 106  11.24 +/- 1.46   1.084% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  65  23.55 +/- 2.97   0.114% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  17.39 +/- 2.02   0.276% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.42 +/- 0.75  62.182% * 98.9625% (1.00 10.00   5.05 159.85) =  99.951%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.43 +/- 1.83  13.752% *  0.1493% (0.13  1.00   0.24   0.02) =   0.033%
          HA    CYS   21 - QD    LYS+ 102  20.03 +/- 5.63   4.693% *  0.0827% (0.84  1.00   0.02   0.02) =   0.006%
        T HA    LYS+ 102 - HD2   LYS+ 111  22.67 +/- 4.33   0.628% *  0.2587% (0.26 10.00   0.02   0.02) =   0.003%
          HA    TRP   49 - QD    LYS+  65  15.94 +/- 6.35   6.153% *  0.0162% (0.16  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 102 - QD    LYS+  65  22.64 +/- 2.76   0.307% *  0.2501% (0.25 10.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+ 102  27.21 +/- 5.95   0.781% *  0.0640% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - QD    LYS+ 102  20.54 +/- 4.78   1.868% *  0.0196% (0.20  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QD    LYS+ 102  25.29 +/- 5.46   0.748% *  0.0444% (0.45  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+  65  14.41 +/- 3.05   1.265% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  14.12 +/- 4.19   2.226% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.82 +/- 1.21   0.411% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  12.15 +/- 4.27   2.729% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  18.11 +/- 2.41   0.618% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.79 +/- 2.33   0.420% *  0.0167% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.21 +/- 2.23   0.547% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.28 +/- 4.95   0.246% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  26.21 +/- 4.89   0.425% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.829, support = 4.86, residual support = 158.4:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.27  38.348% * 70.3032% (1.00  10.0 10.00   4.75 159.85) =  77.320%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.11 +/- 0.10  43.225% * 17.4176% (0.25  10.0 10.00   5.35 160.32) =  21.592%  kept
          QB    LYS+  66 - QD    LYS+  65   5.01 +/- 1.01   7.040% *  2.7228% (0.17   1.0  1.00   4.46  31.47) =   0.550%  kept
        T HG2   PRO   93 - HD2   LYS+ 111  11.80 +/- 4.75   5.019% *  1.9146% (0.24   1.0 10.00   0.23   0.02) =   0.276%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.99 +/- 1.14   1.868% *  4.6715% (0.34   1.0  1.00   3.90  23.01) =   0.250%  kept
        T HB    VAL   41 - QD    LYS+ 102  12.09 +/- 2.98   0.384% *  0.3422% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   PRO   93 - QD    LYS+  65  13.55 +/- 3.13   0.594% *  0.1640% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+  65 - QD    LYS+ 102  20.70 +/- 2.90   0.059% *  0.6891% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  21.56 +/- 1.46   0.045% *  0.6490% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 111  19.17 +/- 2.81   0.103% *  0.1802% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  15.26 +/- 2.65   0.208% *  0.0865% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+ 102  18.01 +/- 4.98   0.254% *  0.0678% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.63 +/- 3.99   0.079% *  0.1838% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.16 +/- 2.87   0.627% *  0.0171% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.79 +/- 2.59   0.054% *  0.1777% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  22.82 +/- 5.37   0.086% *  0.1085% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65  12.79 +/- 4.48   0.784% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  21.54 +/- 3.50   0.058% *  0.0895% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  14.25 +/- 2.21   0.183% *  0.0274% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  20.36 +/- 4.00   0.083% *  0.0483% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.00 +/- 4.79   0.090% *  0.0342% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  19.16 +/- 2.05   0.067% *  0.0284% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  20.29 +/- 3.31   0.074% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  13.76 +/- 2.77   0.274% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.64 +/- 4.42   0.062% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.76 +/- 3.64   0.101% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.70 +/- 3.42   0.030% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.47 +/- 2.61   0.069% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.88 +/- 2.76   0.109% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  28.92 +/- 3.96   0.025% *  0.0089% (0.13   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 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.99, support = 4.41, residual support = 158.3:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.25 +/- 0.13  56.244% * 92.8630% (1.00  10.0 10.00   4.42 159.85) =  98.802%  kept
          QG    LYS+  66 - QD    LYS+  65   4.87 +/- 1.32  12.076% *  4.5972% (0.22   1.0  1.00   4.52  31.47) =   1.050%  kept
          QB    ALA  110 - HD2   LYS+ 111   5.68 +/- 1.22   6.441% *  1.1416% (0.08   1.0  1.00   3.05   9.11) =   0.139%  kept
          QB    ALA   61 - QD    LYS+  65   5.22 +/- 1.77   9.915% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QD    LYS+ 102  13.55 +/- 4.22   0.927% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    LYS+  65   8.73 +/- 1.24   1.249% *  0.0161% (0.17   1.0  1.00   0.02   0.33) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.42 +/- 0.85   1.226% *  0.0161% (0.17   1.0  1.00   0.02   0.33) =   0.000%
          HG    LEU   73 - QD    LYS+  65  12.05 +/- 2.36   0.780% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.11 +/- 2.93   1.393% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111  10.01 +/- 1.67   0.852% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.31 +/- 4.21   0.068% *  0.2428% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.96 +/- 2.73   2.348% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  17.90 +/- 3.43   0.144% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  18.93 +/- 4.66   0.200% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.04 +/- 3.23   0.054% *  0.2347% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  19.28 +/- 4.38   0.167% *  0.0638% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  21.08 +/- 4.54   0.128% *  0.0806% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.29 +/- 2.54   0.104% *  0.0744% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.23 +/- 2.18   1.251% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  18.61 +/- 4.61   0.325% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  17.06 +/- 4.55   0.848% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  13.83 +/- 1.89   0.309% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  18.93 +/- 2.16   0.113% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  17.45 +/- 3.85   0.233% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.78 +/- 1.41   0.282% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  21.55 +/- 5.21   0.115% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.24 +/- 2.08   0.123% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  20.98 +/- 3.27   0.130% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.74 +/- 5.02   0.101% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  13.55 +/- 3.50   0.389% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.21 +/- 2.51   0.298% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.14 +/- 2.66   0.088% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  20.92 +/- 3.17   0.101% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  13.26 +/- 1.19   0.313% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  23.88 +/- 5.57   0.195% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.07 +/- 1.56   0.274% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.45 +/- 3.62   0.081% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  23.15 +/- 3.06   0.067% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.62 +/- 3.85   0.049% *  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 = 4.07, residual support = 159.6:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.45 +/- 0.13  37.611% * 72.7002% (1.00  10.0 10.00   4.00 159.85) =  79.149%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.41 +/- 0.16  39.527% * 18.0114% (0.25  10.0 10.00   4.35 160.32) =  20.608%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   7.76 +/- 1.02   1.485% *  4.4710% (0.26   1.0  1.00   4.75  28.92) =   0.192%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  12.02 +/- 4.00   7.942% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+ 106 - QD    LYS+ 102  10.18 +/- 1.35   0.613% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.012%
        T HG3   LYS+  33 - QD    LYS+ 102  17.03 +/- 4.32   0.193% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.22 +/- 3.40   0.639% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU   73 - QD    LYS+ 102  18.23 +/- 3.49   0.115% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    LYS+ 102   6.37 +/- 1.03   2.901% *  0.0248% (0.34   1.0  1.00   0.02   2.22) =   0.002%
          QB    ALA   12 - QD    LYS+ 102  21.77 +/- 4.86   0.995% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QD    LYS+ 102  23.42 +/- 3.08   0.056% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.04 +/- 1.60   1.695% *  0.0202% (0.28   1.0  1.00   0.02   2.22) =   0.001%
        T HG3   LYS+  33 - QD    LYS+  65  17.48 +/- 2.65   0.142% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  14.39 +/- 2.81   0.286% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.09 +/- 3.49   0.092% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.30 +/- 2.27   0.088% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  22.60 +/- 4.90   0.074% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  23.84 +/- 4.35   0.066% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  11.63 +/- 1.80   0.477% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.36 +/- 2.94   0.045% *  0.1838% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.36 +/- 1.46   0.347% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.00 +/- 3.39   0.074% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  29.50 +/- 4.27   0.027% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.82 +/- 5.17   0.264% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  19.12 +/- 4.74   0.133% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  15.96 +/- 2.11   0.190% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  12.81 +/- 2.36   0.412% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65   9.94 +/- 2.74   1.074% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.48 +/- 3.01   0.813% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  18.52 +/- 3.19   0.139% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.01 +/- 1.43   0.074% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  16.43 +/- 3.06   0.160% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.96 +/- 3.24   0.254% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.39 +/- 2.50   0.161% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.13 +/- 3.11   0.136% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.78 +/- 3.40   0.078% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.77 +/- 3.75   0.120% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.05 +/- 2.98   0.138% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  17.33 +/- 1.89   0.131% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.86 +/- 3.13   0.090% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  23.73 +/- 4.79   0.120% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  30.82 +/- 4.57   0.024% *  0.0115% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.8:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.02  93.961% * 97.1326% (1.00  10.0 10.00   4.00 159.85) =  99.964%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.78 +/- 1.63   2.925% *  0.6672% (0.69   1.0 10.00   0.02   1.55) =   0.021%
        T QE    LYS+  38 - QD    LYS+ 102  13.03 +/- 4.01   1.018% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.010%
        T QE    LYS+  38 - QD    LYS+  65  17.66 +/- 3.90   1.231% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  99 - QD    LYS+  65  17.20 +/- 3.86   0.350% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.03 +/- 3.90   0.145% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  20.33 +/- 3.65   0.190% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.01 +/- 2.78   0.097% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  25.68 +/- 4.69   0.083% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.7:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.46 +/- 0.43  67.201% * 98.6090% (1.00 10.00   5.05 159.85) =  99.925%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.66 +/- 1.49   4.897% *  0.6725% (0.68 10.00   0.02   1.55) =   0.050%
          HA    CYS   21 - QE    LYS+  99  16.86 +/- 6.10  14.311% *  0.0562% (0.57  1.00   0.02   0.02) =   0.012%
        T HA    LYS+ 102 - QE    LYS+  38  13.56 +/- 3.90   2.404% *  0.2257% (0.23 10.00   0.02   0.02) =   0.008%
          HA    CYS   21 - QE    LYS+ 102  20.31 +/- 5.49   1.328% *  0.0824% (0.84  1.00   0.02   0.02) =   0.002%
          HA    TRP   49 - QE    LYS+ 102  26.68 +/- 6.07   1.074% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QE    LYS+ 102  24.80 +/- 5.51   0.884% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QE    LYS+  38  16.91 +/- 2.88   1.463% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.83 +/- 5.49   2.023% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.19 +/- 1.70   0.467% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  19.60 +/- 1.84   0.462% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  25.74 +/- 3.52   0.259% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.85 +/- 4.52   0.562% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.64 +/- 3.29   0.315% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  17.21 +/- 3.08   1.731% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  24.47 +/- 2.61   0.232% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  27.50 +/- 3.78   0.164% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  25.85 +/- 4.11   0.223% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.989, support = 4.7, residual support = 157.4:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.70 +/- 0.49  53.179% * 80.5749% (1.00 10.00   4.75 159.85) =  98.375%  kept
        T HB    VAL   41 - QE    LYS+  99   9.25 +/- 3.03   2.882% * 11.3342% (0.33 10.00   0.85   0.02) =   0.750%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.70 +/- 1.08   5.306% *  5.4369% (0.34  1.00   3.96  23.01) =   0.662%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.30 +/- 1.57  10.442% *  0.5495% (0.68 10.00   0.02   1.55) =   0.132%  kept
          HG12  ILE  103 - QE    LYS+  99   8.82 +/- 1.35   2.424% *  0.7619% (0.23  1.00   0.81   0.70) =   0.042%
        T HB    VAL   41 - QE    LYS+  38  10.10 +/- 2.58   5.115% *  0.0898% (0.11 10.00   0.02   0.02) =   0.011%
        T HB    VAL   41 - QE    LYS+ 102  12.21 +/- 2.95   1.155% *  0.3922% (0.49 10.00   0.02   0.02) =   0.010%
        T QB    LYS+ 102 - QE    LYS+  38  11.97 +/- 3.77   1.729% *  0.1844% (0.23 10.00   0.02   0.02) =   0.007%
          HB2   LEU   71 - QE    LYS+  99  12.78 +/- 6.27   2.021% *  0.0530% (0.66  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QE    LYS+  38  10.13 +/- 3.23   4.865% *  0.0178% (0.22  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QE    LYS+  99  15.29 +/- 5.32   1.691% *  0.0377% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+ 102  18.28 +/- 4.81   0.408% *  0.0778% (0.97  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  16.00 +/- 3.96   0.540% *  0.0539% (0.67  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QE    LYS+  38  16.42 +/- 3.79   1.605% *  0.0181% (0.22  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  99  16.81 +/- 5.93   0.936% *  0.0267% (0.33  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  38  15.05 +/- 4.19   1.539% *  0.0090% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  20.79 +/- 2.76   0.153% *  0.0790% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  20.44 +/- 4.02   0.216% *  0.0553% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.17 +/- 1.58   0.125% *  0.0744% (0.92  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.02 +/- 1.34   0.169% *  0.0507% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  15.27 +/- 3.36   0.610% *  0.0127% (0.16  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  17.49 +/- 7.12   0.871% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  22.48 +/- 4.41   0.155% *  0.0392% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  22.54 +/- 4.67   0.238% *  0.0170% (0.21  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.08 +/- 2.33   0.545% *  0.0063% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  22.84 +/- 5.28   0.241% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  19.43 +/- 6.26   0.588% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.14 +/- 4.38   0.084% *  0.0124% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.08 +/- 3.12   0.094% *  0.0085% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  27.49 +/- 4.26   0.072% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.996, support = 4.38, residual support = 158.5:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.05 +/- 0.44  37.977% * 95.5798% (1.00  10.0 10.00   4.42 159.85) =  99.132%  kept
          HG    LEU   40 - QE    LYS+  99   8.13 +/- 5.74  11.853% *  2.3695% (0.55   1.0  1.00   0.91   8.53) =   0.767%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.97 +/- 1.66   3.038% *  0.6518% (0.68   1.0 10.00   0.02   1.55) =   0.054%
          QG    LYS+  66 - QE    LYS+  99  15.94 +/- 5.74   6.696% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.010%
        T HG2   LYS+ 102 - QE    LYS+  38  13.85 +/- 4.78   1.337% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.008%
          HB3   LEU   67 - QE    LYS+  99  13.82 +/- 6.31   4.891% *  0.0448% (0.47   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   40 - QE    LYS+ 102  13.86 +/- 4.00   1.882% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   67 - QE    LYS+  99  13.34 +/- 6.34   2.749% *  0.0448% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   73 - QE    LYS+  38  14.33 +/- 3.87   3.726% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - QE    LYS+  38   8.99 +/- 1.96   3.812% *  0.0175% (0.18   1.0  1.00   0.02   0.82) =   0.002%
          HG12  ILE   19 - QE    LYS+  38  13.06 +/- 3.36   6.970% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QE    LYS+  38  16.14 +/- 4.00   2.657% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  99  14.71 +/- 3.97   0.471% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+ 102  19.15 +/- 4.43   0.431% *  0.0657% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+ 102  19.47 +/- 4.17   0.374% *  0.0657% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+ 102  18.01 +/- 3.44   0.244% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+ 102  21.20 +/- 4.51   0.254% *  0.0829% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QE    LYS+  99  14.33 +/- 5.67   1.110% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.01 +/- 2.68   0.226% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  12.91 +/- 3.10   1.116% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  13.96 +/- 4.71   1.014% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.28 +/- 2.04   0.307% *  0.0522% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  15.76 +/- 3.78   0.827% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  17.40 +/- 3.84   0.658% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  13.11 +/- 3.30   0.948% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  15.35 +/- 2.99   0.395% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  18.86 +/- 2.02   0.208% *  0.0503% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  19.62 +/- 5.26   0.593% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.72 +/- 2.29   0.294% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  21.19 +/- 4.64   0.220% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  19.00 +/- 4.45   0.257% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.52 +/- 1.45   0.253% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  19.83 +/- 2.83   0.194% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.23 +/- 2.07   0.271% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  21.50 +/- 4.08   0.182% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  16.51 +/- 4.78   0.687% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.08 +/- 6.34   0.297% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  20.69 +/- 5.30   0.403% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  20.98 +/- 3.13   0.181% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.996, support = 4.0, residual support = 159.1:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.32 +/- 0.34  63.449% * 87.1343% (1.00  10.0 10.00   4.00 159.85) =  99.500%  kept
          QB    LEU   98 - QE    LYS+  99   6.73 +/- 0.78   3.488% *  4.2919% (0.23   1.0  1.00   4.23  17.73) =   0.269%  kept
          HG    LEU   98 - QE    LYS+  99   7.53 +/- 1.27   3.842% *  2.1466% (0.19   1.0  1.00   2.60  17.73) =   0.148%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   9.76 +/- 1.69   1.085% *  0.8243% (0.95   1.0 10.00   0.02   0.02) =   0.016%
        T HG3   LYS+ 102 - QE    LYS+  99   9.63 +/- 1.55   1.290% *  0.5942% (0.68   1.0 10.00   0.02   1.55) =   0.014%
        T HG3   LYS+  33 - QE    LYS+  99  13.09 +/- 4.48   1.296% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   LYS+ 106 - QE    LYS+  99  11.24 +/- 1.46   0.773% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  33 - QE    LYS+ 102  17.50 +/- 4.35   0.360% *  0.8243% (0.95   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  33 - QE    LYS+  38   9.87 +/- 1.74   1.540% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - QE    LYS+  38  18.50 +/- 4.29   0.967% *  0.1955% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QE    LYS+  99  18.12 +/- 4.56   0.308% *  0.5825% (0.67   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - QE    LYS+  38  14.44 +/- 4.52   0.611% *  0.1995% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QE    LYS+  99  10.44 +/- 3.83   1.796% *  0.0582% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QE    LYS+ 102   6.43 +/- 0.65   3.430% *  0.0297% (0.34   1.0  1.00   0.02   2.22) =   0.002%
        T HG3   LYS+  65 - QE    LYS+ 102  23.55 +/- 2.97   0.081% *  0.8541% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QE    LYS+ 102   8.23 +/- 1.19   2.104% *  0.0242% (0.28   1.0  1.00   0.02   2.22) =   0.001%
          HB    VAL   42 - QE    LYS+ 102  14.49 +/- 2.65   0.443% *  0.0854% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  38  17.39 +/- 2.02   0.197% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+ 102  22.32 +/- 4.71   0.699% *  0.0528% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  15.03 +/- 4.05   0.489% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  38  14.84 +/- 3.42   1.299% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  11.96 +/- 2.86   0.982% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  18.33 +/- 3.45   0.204% *  0.0869% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  14.65 +/- 6.53   1.394% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  18.13 +/- 5.10   0.290% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  16.63 +/- 5.98   2.621% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  18.83 +/- 5.14   0.515% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  22.59 +/- 3.54   0.098% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  18.68 +/- 4.61   0.202% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  20.50 +/- 2.13   0.111% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  11.24 +/- 2.60   0.864% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  15.43 +/- 3.27   0.444% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.22 +/- 3.48   0.833% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.63 +/- 1.46   0.116% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.21 +/- 1.35   0.155% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.49 +/- 4.66   0.336% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  19.90 +/- 3.23   0.130% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  24.18 +/- 5.34   0.112% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  20.85 +/- 4.46   0.270% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.76 +/- 3.32   0.131% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  16.68 +/- 4.28   0.525% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  21.35 +/- 4.42   0.122% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.79, support = 4.01, residual support = 169.9:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.02  29.652% * 72.2175% (1.00  10.0 10.00   4.00 159.85) =  74.689%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  30.097% * 13.2369% (0.18  10.0  1.00   3.74 221.19) =  13.895%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  29.755% * 10.9650% (0.15  10.0 10.00   4.42 173.87) =  11.379%  kept
        T QD    LYS+ 102 - QE    LYS+  99   8.78 +/- 1.63   0.917% *  0.4925% (0.68   1.0 10.00   0.02   1.55) =   0.016%
        T QD    LYS+  99 - QE    LYS+ 102   8.42 +/- 1.37   0.657% *  0.1608% (0.22   1.0 10.00   0.02   1.55) =   0.004%
        T QD    LYS+ 106 - QE    LYS+ 102   9.27 +/- 1.94   0.492% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QE    LYS+  38   9.77 +/- 4.27   1.772% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+  38  13.03 +/- 4.01   0.318% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - QE    LYS+  99   9.83 +/- 4.41   1.161% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+  38  17.66 +/- 3.90   0.387% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  17.20 +/- 3.86   0.112% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  99  11.61 +/- 1.40   0.215% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.03 +/- 3.90   0.045% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+  99  20.33 +/- 3.65   0.060% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QE    LYS+ 102  13.32 +/- 4.17   0.277% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  99  14.06 +/- 6.85   0.585% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QE    LYS+  38  15.27 +/- 3.77   1.987% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.01 +/- 2.78   0.031% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  16.90 +/- 7.11   0.221% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  22.13 +/- 5.56   0.099% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  18.08 +/- 5.97   0.149% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  25.68 +/- 4.69   0.026% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.61 +/- 2.02   0.071% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  16.74 +/- 5.98   0.278% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  20.75 +/- 5.20   0.050% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  15.71 +/- 4.10   0.098% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.51 +/- 1.43   0.029% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  19.32 +/- 6.45   0.122% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.19 +/- 1.29   0.035% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  19.08 +/- 3.41   0.047% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.83 +/- 1.36   0.032% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  22.80 +/- 4.80   0.076% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  21.62 +/- 4.11   0.037% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.02 +/- 1.12   0.030% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  23.10 +/- 6.18   0.046% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  24.00 +/- 3.97   0.034% *  0.0094% (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 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 = 0.779, support = 5.73, residual support = 137.9:
    * O T HB    ILE  103 - HA    ILE  103   2.97 +/- 0.04  28.516% * 78.8881% (1.00  10.0 10.00   5.66 138.60) =  72.249%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.38 +/- 0.31  54.192% * 15.6119% (0.20  10.0 10.00   5.98 138.60) =  27.172%  kept
          HB3   LYS+  38 - HA    THR   39   4.79 +/- 0.47   7.876% *  1.2797% (0.08   1.0  1.00   3.94  30.35) =   0.324%  kept
          HB3   ASP- 105 - HA    ILE  103   6.88 +/- 0.56   2.361% *  2.9664% (0.99   1.0  1.00   0.76   3.98) =   0.225%  kept
          QB    LYS+ 106 - HA    ILE  103   7.11 +/- 0.89   2.459% *  0.3056% (0.80   1.0  1.00   0.10   0.02) =   0.024%
        T HB    ILE  103 - HA    THR   39  15.71 +/- 3.63   0.312% *  0.2606% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HA    THR   39   9.36 +/- 1.17   1.083% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE  103  20.44 +/- 4.28   0.251% *  0.0659% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  15.85 +/- 3.03   0.219% *  0.0746% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    ILE  103  20.18 +/- 4.32   0.127% *  0.0787% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  13.54 +/- 2.50   0.372% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  14.65 +/- 3.58   0.376% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  23.98 +/- 3.18   0.073% *  0.0787% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  15.59 +/- 2.62   0.216% *  0.0258% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  23.40 +/- 3.38   0.077% *  0.0707% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.97 +/- 2.31   0.144% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  20.86 +/- 5.29   0.127% *  0.0324% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  23.17 +/- 3.86   0.113% *  0.0324% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.89 +/- 1.68   0.159% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.98 +/- 3.45   0.441% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  18.70 +/- 6.10   0.197% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.15 +/- 3.39   0.067% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  26.11 +/- 2.22   0.049% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.38 +/- 2.74   0.107% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  29.56 +/- 3.20   0.038% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.28 +/- 3.16   0.047% *  0.0107% (0.14   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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.854, support = 5.35, residual support = 137.5:
    * O T QG2   ILE  103 - HA    ILE  103   2.64 +/- 0.17  38.062% * 65.6499% (1.00  10.0 10.00   5.53 138.60) =  73.875%  kept
        T QD1   ILE  103 - HA    ILE  103   3.06 +/- 0.66  28.999% * 29.4329% (0.45   1.0 10.00   4.87 138.60) =  25.234%  kept
          QD2   LEU   40 - HA    THR   39   5.55 +/- 0.80   6.144% *  3.9019% (0.32   1.0  1.00   3.73  24.67) =   0.709%  kept
          QD2   LEU   71 - HA    THR   39   6.74 +/- 2.96  14.810% *  0.3693% (0.19   1.0  1.00   0.60   0.13) =   0.162%  kept
          QD2   LEU   40 - HA    ILE  103   8.24 +/- 4.26   6.556% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.012%
        T QG2   ILE  103 - HA    THR   39  13.02 +/- 2.25   0.450% *  0.2169% (0.33   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE  103 - HA    THR   39  12.90 +/- 2.90   0.533% *  0.0972% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    ILE  103  13.25 +/- 3.42   0.685% *  0.0643% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39   9.51 +/- 1.81   1.858% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  13.98 +/- 3.05   0.400% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.45 +/- 3.86   0.203% *  0.0643% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  15.00 +/- 3.23   0.293% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  15.69 +/- 3.61   0.316% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.19 +/- 3.24   0.208% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  15.88 +/- 2.04   0.238% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.57 +/- 3.75   0.245% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.744, support = 5.03, residual support = 137.9:
    *   T QD1   ILE  103 - HA    ILE  103   3.06 +/- 0.66  29.154% * 77.1096% (0.92   1.0 10.00   4.87 138.60) =  73.450%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.64 +/- 0.17  38.265% * 20.8289% (0.25  10.0 10.00   5.53 138.60) =  26.041%  kept
          QD2   LEU   71 - HA    THR   39   6.74 +/- 2.96  14.889% *  0.6933% (0.28   1.0  1.00   0.60   0.13) =   0.337%  kept
          QD2   LEU   40 - HA    THR   39   5.55 +/- 0.80   6.177% *  0.7938% (0.05   1.0  1.00   3.73  24.67) =   0.160%  kept
        T QD1   ILE  103 - HA    THR   39  12.90 +/- 2.90   0.536% *  0.2548% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HA    ILE  103   8.24 +/- 4.26   6.590% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   ILE  103 - HA    THR   39  13.02 +/- 2.25   0.453% *  0.0688% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  13.98 +/- 3.05   0.402% *  0.0698% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  15.69 +/- 3.61   0.317% *  0.0833% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  13.25 +/- 3.42   0.689% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.51 +/- 1.81   1.868% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.57 +/- 3.75   0.246% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.45 +/- 3.86   0.204% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  17.19 +/- 3.24   0.209% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.6:
    * O T HA    ILE  103 - HB    ILE  103   2.97 +/- 0.04  93.901% * 98.6567% (1.00  10.0 10.00   5.66 138.60) =  99.988%  kept
        T HA    THR   39 - HB    ILE  103  15.71 +/- 3.63   1.054% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.008%
          HA    ASP-  44 - HB    ILE  103  13.56 +/- 1.54   1.187% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  21.62 +/- 7.37   0.580% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    ILE  103  19.44 +/- 2.29   0.388% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  21.92 +/- 3.55   0.357% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  20.23 +/- 8.30   0.887% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  25.76 +/- 4.77   0.312% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  31.57 +/- 4.72   0.139% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.56 +/- 2.67   0.405% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.90 +/- 4.34   0.507% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  29.69 +/- 4.88   0.281% *  0.0305% (0.31   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 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 = 0.86, support = 5.01, residual support = 138.6:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  55.517% * 68.8462% (1.00  10.0 10.00   5.12 138.60) =  74.692%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.39 +/- 0.36  41.952% * 30.8659% (0.45  10.0 10.00   4.71 138.60) =  25.305%  kept
          QD2   LEU   40 - HB    ILE  103  10.28 +/- 3.75   1.736% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB    ILE  103  15.00 +/- 2.92   0.227% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.87 +/- 2.59   0.173% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.79 +/- 3.46   0.088% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.06 +/- 3.08   0.151% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.75 +/- 3.41   0.154% *  0.0191% (0.28   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 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.746, support = 4.82, residual support = 138.6:
    * O T QD1   ILE  103 - HB    ILE  103   2.39 +/- 0.36  42.016% * 78.5650% (0.92  10.0 10.00   4.71 138.60) =  73.666%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.02  55.601% * 21.2220% (0.25  10.0 10.00   5.12 138.60) =  26.333%  kept
          QD2   LEU   40 - HB    ILE  103  10.28 +/- 3.75   1.739% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB    ILE  103  16.75 +/- 3.41   0.155% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.87 +/- 2.59   0.173% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  15.00 +/- 2.92   0.228% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.79 +/- 3.46   0.088% *  0.0290% (0.34   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 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 138.6:
    * O T HA    ILE  103 - QG2   ILE  103   2.64 +/- 0.17  92.324% * 98.6567% (1.00  10.0 10.00   5.53 138.60) =  99.987%  kept
        T HA    THR   39 - QG2   ILE  103  13.02 +/- 2.25   1.022% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.008%
          HA    ASP-  44 - QG2   ILE  103  10.14 +/- 1.47   2.078% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   ILE  103  17.82 +/- 5.68   0.694% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QG2   ILE  103  15.52 +/- 1.89   0.514% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   ILE  103  17.98 +/- 2.99   0.512% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.17 +/- 3.95   0.447% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  16.75 +/- 6.31   0.811% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.63 +/- 2.25   0.701% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.22 +/- 3.51   0.157% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.31 +/- 3.02   0.465% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  24.56 +/- 3.53   0.275% *  0.0305% (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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.927, support = 5.11, residual support = 137.6:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.02  51.414% * 78.9962% (1.00  10.0 10.00   5.12 138.60) =  90.231%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.71 +/- 0.31  25.942% * 15.6332% (0.20  10.0 10.00   5.42 138.60) =   9.010%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.64 +/- 0.38   5.063% *  4.0155% (0.99   1.0  1.00   1.03   3.98) =   0.452%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.78 +/- 0.95  15.771% *  0.8716% (0.80   1.0  1.00   0.28   0.02) =   0.305%  kept
          QB    LYS+  81 - QG2   ILE  103  16.76 +/- 3.79   0.556% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QG2   ILE  103  14.84 +/- 2.04   0.174% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  17.66 +/- 2.95   0.120% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  19.09 +/- 2.98   0.112% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  18.25 +/- 2.92   0.106% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.91 +/- 3.49   0.178% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.69 +/- 1.78   0.190% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  17.12 +/- 3.69   0.147% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  14.10 +/- 2.22   0.228% *  0.0197% (0.25   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 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 138.6:
    *   T HA    ILE  103 - QD1   ILE  103   3.06 +/- 0.66  83.231% * 98.6567% (0.92 10.00   4.87 138.60) =  99.968%  kept
        T HA    THR   39 - QD1   ILE  103  12.90 +/- 2.90   2.427% *  0.7164% (0.67 10.00   0.02   0.02) =   0.021%
          HA    ASP-  44 - QD1   ILE  103  10.22 +/- 1.69   3.395% *  0.0933% (0.87  1.00   0.02   0.02) =   0.004%
          HA    SER   85 - QD1   ILE  103  16.72 +/- 6.12   1.415% *  0.0967% (0.90  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QD1   ILE  103  14.87 +/- 2.15   1.269% *  0.0967% (0.90  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   ILE  103  15.57 +/- 6.97   3.466% *  0.0274% (0.26  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QD1   ILE  103  16.83 +/- 3.02   1.088% *  0.0790% (0.74  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   ILE  103  21.10 +/- 3.81   1.531% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.68 +/- 3.52   0.481% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  25.75 +/- 4.09   0.288% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.44 +/- 2.21   0.818% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  24.26 +/- 4.15   0.592% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.774, support = 4.69, residual support = 138.6:
    * O T HB    ILE  103 - QD1   ILE  103   2.39 +/- 0.36  39.871% * 82.9317% (0.92  10.0 10.00   4.71 138.60) =  79.872%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.02  50.734% * 16.4121% (0.18  10.0 10.00   4.62 138.60) =  20.113%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.36 +/- 1.38   6.393% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.010%
          HB3   ASP- 105 - QD1   ILE  103   7.33 +/- 0.87   1.607% *  0.0822% (0.91   1.0  1.00   0.02   3.98) =   0.003%
          QB    LYS+  33 - QD1   ILE  103  14.00 +/- 2.64   0.222% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  15.66 +/- 3.82   0.208% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  17.74 +/- 3.19   0.125% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.32 +/- 2.83   0.099% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  19.76 +/- 2.69   0.081% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.63 +/- 2.93   0.293% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.78 +/- 2.18   0.162% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.75 +/- 2.95   0.103% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  18.77 +/- 3.84   0.102% *  0.0341% (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 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 = 216.8:
    * O T HB2   LEU  104 - HA    LEU  104   2.98 +/- 0.06  94.455% * 99.7433% (0.87  10.0 10.00   5.98 216.83) =  99.996%  kept
          QG2   VAL  108 - HA    LEU  104  10.73 +/- 0.94   2.452% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - HA    LEU  104  14.80 +/- 3.51   1.193% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  19.54 +/- 3.71   0.859% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HA    LEU  104  16.66 +/- 3.49   1.041% *  0.0201% (0.17   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 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 216.8:
    * O T HB3   LEU  104 - HA    LEU  104   2.43 +/- 0.16  96.030% * 99.4463% (0.76  10.0 10.00   5.31 216.83) =  99.995%  kept
          QG1   VAL   70 - HA    LEU  104  13.19 +/- 4.08   1.529% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU  104  15.78 +/- 5.40   0.795% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    LEU  104  15.82 +/- 3.76   0.637% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  16.26 +/- 3.27   0.454% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  16.66 +/- 3.97   0.555% *  0.0535% (0.41   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 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.73, residual support = 216.8:
    * O T HG    LEU  104 - HA    LEU  104   3.12 +/- 0.58  77.836% * 99.5259% (1.00  10.0 10.00   5.73 216.83) =  99.979%  kept
          HB3   LYS+ 121 - HA    LEU  104  13.77 +/- 7.84  11.795% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.015%
          HD2   LYS+ 121 - HA    LEU  104  14.32 +/- 7.11   4.488% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    LEU  104  17.05 +/- 4.10   1.339% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  66 - HA    LEU  104  19.96 +/- 5.14   1.262% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LEU  104  18.70 +/- 5.33   2.132% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  22.21 +/- 3.96   0.312% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.06 +/- 4.17   0.516% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  22.16 +/- 3.05   0.320% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 5.3, residual support = 216.7:
    *   T QD1   LEU  104 - HA    LEU  104   3.28 +/- 0.71  86.461% * 98.8828% (0.96 10.00   5.31 216.83) =  99.951%  kept
        T QD1   LEU   63 - HA    LEU  104  12.93 +/- 3.18   7.050% *  0.4212% (0.41 10.00   0.02   0.02) =   0.035%
        T QD1   LEU   73 - HA    LEU  104  15.01 +/- 3.96   2.202% *  0.4212% (0.41 10.00   0.02   0.02) =   0.011%
          QD2   LEU  115 - HA    LEU  104  13.93 +/- 2.82   1.993% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    LEU  104  18.44 +/- 4.28   0.846% *  0.0889% (0.87  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  104  19.21 +/- 3.18   0.618% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  18.27 +/- 3.56   0.831% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.975, support = 5.73, residual support = 210.1:
    *   T QD2   LEU  104 - HA    LEU  104   2.89 +/- 0.54  80.653% * 78.1896% (1.00 10.00   5.87 216.83) =  96.771%  kept
        T QD1   LEU   98 - HA    LEU  104   6.28 +/- 0.53   9.939% * 21.0572% (0.31 10.00   1.75   9.41) =   3.211%  kept
        T QG1   VAL   41 - HA    LEU  104  10.02 +/- 2.41   4.013% *  0.1547% (0.20 10.00   0.02   0.02) =   0.010%
        T QG2   VAL   18 - HA    LEU  104  17.37 +/- 4.02   0.742% *  0.4427% (0.56 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HA    LEU  104  10.07 +/- 1.47   3.125% *  0.0267% (0.34  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU  104  16.70 +/- 3.67   0.978% *  0.0755% (0.96  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    LEU  104  16.83 +/- 1.77   0.550% *  0.0537% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 216.8:
    * O T HA    LEU  104 - HB2   LEU  104   2.98 +/- 0.06  98.619% * 99.7454% (0.87  10.0 10.00   5.98 216.83) =  99.999%  kept
          HA    ASP-  86 - HB2   LEU  104  23.13 +/- 6.85   0.400% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  22.55 +/- 6.83   0.540% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.36 +/- 3.82   0.268% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.20 +/- 4.42   0.173% *  0.0647% (0.56   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 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 = 5.38, residual support = 216.8:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  97.672% * 99.4463% (0.66  10.0 10.00   5.38 216.83) =  99.997%  kept
          QG1   VAL   70 - HB2   LEU  104  11.18 +/- 4.05   0.946% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU  104  13.98 +/- 5.28   0.497% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   LEU  104  14.02 +/- 3.68   0.320% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.72 +/- 3.18   0.244% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  14.20 +/- 3.87   0.322% *  0.0535% (0.36   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 216.8:
    * O T HG    LEU  104 - HB2   LEU  104   2.71 +/- 0.30  73.664% * 99.5259% (0.87  10.0 10.00   5.92 216.83) =  99.973%  kept
          HB3   LYS+ 121 - HB2   LEU  104  12.01 +/- 7.48  14.561% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.020%
          QD    LYS+  66 - HB2   LEU  104  17.72 +/- 5.17   2.809% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - HB2   LEU  104  12.62 +/- 6.70   4.678% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HB2   LEU  104  15.86 +/- 3.97   0.858% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HB2   LEU  104  17.43 +/- 4.91   2.352% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB2   LEU  104  20.13 +/- 4.04   0.345% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.58 +/- 4.00   0.438% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  19.62 +/- 3.09   0.295% *  0.0248% (0.22   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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.38, residual support = 216.8:
    * O T QD1   LEU  104 - HB2   LEU  104   2.68 +/- 0.42  91.912% * 98.8828% (0.84  10.0 10.00   5.38 216.83) =  99.975%  kept
        T QD1   LEU   63 - HB2   LEU  104  10.93 +/- 3.11   2.841% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.013%
        T QD1   LEU   73 - HB2   LEU  104  13.38 +/- 4.09   2.057% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.010%
          QD2   LEU  115 - HB2   LEU  104  12.33 +/- 2.68   1.519% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  104  17.61 +/- 3.98   0.574% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  18.28 +/- 2.99   0.468% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  17.43 +/- 3.35   0.628% *  0.0255% (0.22   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 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 6.11, residual support = 215.8:
    * O T QD2   LEU  104 - HB2   LEU  104   2.52 +/- 0.36  80.151% * 94.0531% (0.87  10.0 10.00   6.12 216.83) =  99.495%  kept
          QD1   LEU   98 - HB2   LEU  104   6.15 +/- 0.48   7.190% *  5.0408% (0.27   1.0  1.00   3.47   9.41) =   0.478%  kept
        T QG1   VAL   41 - HB2   LEU  104   8.61 +/- 2.36   7.711% *  0.1861% (0.17   1.0 10.00   0.02   0.02) =   0.019%
        T QG2   VAL   18 - HB2   LEU  104  15.80 +/- 3.77   0.703% *  0.5325% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HB2   LEU  104   8.83 +/- 1.55   3.028% *  0.0321% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   LEU  104  15.23 +/- 3.26   0.780% *  0.0908% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   LEU  104  15.49 +/- 1.58   0.438% *  0.0646% (0.60   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 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 216.8:
    * O T HA    LEU  104 - HB3   LEU  104   2.43 +/- 0.16  99.325% * 99.7454% (0.76  10.0 10.00   5.31 216.83) = 100.000%  kept
          HA    ASP-  86 - HB3   LEU  104  24.15 +/- 7.06   0.195% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  23.61 +/- 7.03   0.258% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.07 +/- 4.31   0.133% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.81 +/- 4.92   0.089% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.38, residual support = 216.8:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  98.224% * 99.7433% (0.66  10.0 10.00   5.38 216.83) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.04 +/- 1.47   0.847% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LEU  104  13.63 +/- 3.83   0.363% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  18.73 +/- 3.46   0.184% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  15.27 +/- 3.85   0.382% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.23, residual support = 216.8:
    * O T HG    LEU  104 - HB3   LEU  104   2.63 +/- 0.20  79.002% * 99.5259% (0.76  10.0 10.00   5.24 216.83) =  99.982%  kept
          HB3   LYS+ 121 - HB3   LEU  104  12.31 +/- 8.10  10.029% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.013%
          QD    LYS+  66 - HB3   LEU  104  18.57 +/- 5.38   1.890% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HB3   LEU  104  12.96 +/- 7.30   3.846% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HB3   LEU  104  16.57 +/- 3.84   0.737% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LEU  104  18.31 +/- 5.45   3.434% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HB3   LEU  104  21.50 +/- 4.29   0.283% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.51 +/- 4.44   0.498% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  20.78 +/- 3.34   0.282% *  0.0248% (0.19   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 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 216.8:
    * O T QD1   LEU  104 - HB3   LEU  104   2.31 +/- 0.28  93.523% * 98.8828% (0.74  10.0 10.00   5.00 216.83) =  99.976%  kept
        T QD1   LEU   63 - HB3   LEU  104  11.84 +/- 3.43   3.906% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.018%
        T QD1   LEU   73 - HB3   LEU  104  14.57 +/- 4.31   1.014% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HB3   LEU  104  13.04 +/- 2.76   0.833% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU  104  18.65 +/- 4.05   0.254% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  19.34 +/- 3.05   0.227% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  18.45 +/- 3.38   0.245% *  0.0255% (0.19   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 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.4, residual support = 216.4:
    * O T QD2   LEU  104 - HB3   LEU  104   2.97 +/- 0.41  84.086% * 97.0029% (0.76  10.0 10.00   5.41 216.83) =  99.802%  kept
          QD1   LEU   98 - HB3   LEU  104   6.97 +/- 0.59   7.212% *  2.0626% (0.24   1.0  1.00   1.38   9.41) =   0.182%  kept
        T QG1   VAL   41 - HB3   LEU  104   9.67 +/- 2.45   3.634% *  0.1920% (0.15   1.0 10.00   0.02   0.02) =   0.009%
        T QG2   VAL   18 - HB3   LEU  104  16.60 +/- 4.21   0.727% *  0.5492% (0.43   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HB3   LEU  104  10.08 +/- 1.66   2.934% *  0.0331% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB3   LEU  104  16.03 +/- 3.81   0.797% *  0.0936% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   LEU  104  16.53 +/- 1.78   0.609% *  0.0666% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.73, residual support = 216.8:
    * O T HA    LEU  104 - HG    LEU  104   3.12 +/- 0.58  98.097% * 99.7454% (1.00  10.0 10.00   5.73 216.83) =  99.999%  kept
          HA    ASP-  86 - HG    LEU  104  24.03 +/- 7.18   0.510% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  23.39 +/- 4.35   0.433% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG    LEU  104  23.64 +/- 7.09   0.658% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.09 +/- 4.89   0.302% *  0.0647% (0.65   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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 216.8:
    * O T HB2   LEU  104 - HG    LEU  104   2.71 +/- 0.30  95.056% * 99.7433% (0.87  10.0 10.00   5.92 216.83) =  99.996%  kept
          QG2   VAL  108 - HG    LEU  104  11.63 +/- 1.74   2.137% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - HG    LEU  104  14.32 +/- 4.05   1.092% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HG    LEU  104  19.77 +/- 4.22   0.672% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  15.59 +/- 3.86   1.043% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.24, residual support = 216.8:
    * O T HB3   LEU  104 - HG    LEU  104   2.63 +/- 0.20  92.473% * 99.4463% (0.76  10.0 10.00   5.24 216.83) =  99.991%  kept
          QG1   VAL   70 - HG    LEU  104  11.75 +/- 4.47   2.953% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HG    LEU  104  15.15 +/- 5.88   1.372% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HG    LEU  104  14.25 +/- 4.27   1.114% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  15.24 +/- 3.45   0.766% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  104  15.51 +/- 4.25   1.321% *  0.0535% (0.41   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 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 = 216.8:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  96.148% * 98.8828% (0.97  10.0 10.00   5.24 216.83) =  99.987%  kept
        T QD1   LEU   63 - HG    LEU  104  12.13 +/- 3.40   2.064% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   73 - HG    LEU  104  14.10 +/- 4.11   0.727% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HG    LEU  104  13.88 +/- 3.11   0.495% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  18.43 +/- 4.23   0.213% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  18.98 +/- 3.02   0.162% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  18.60 +/- 3.40   0.192% *  0.0255% (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 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.78, residual support = 216.1:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  88.497% * 95.0252% (1.00  10.0 10.00   5.79 216.83) =  99.662%  kept
          QD1   LEU   98 - HG    LEU  104   6.22 +/- 1.26   6.859% *  4.0594% (0.31   1.0  1.00   2.77   9.41) =   0.330%  kept
        T QG1   VAL   41 - HG    LEU  104   8.71 +/- 2.65   2.442% *  0.1881% (0.20   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   VAL   18 - HG    LEU  104  16.32 +/- 4.15   0.308% *  0.5380% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HG    LEU  104   9.73 +/- 1.76   1.264% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.38 +/- 3.89   0.437% *  0.0917% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  16.73 +/- 1.44   0.192% *  0.0653% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 216.8:
    *   T HA    LEU  104 - QD1   LEU  104   3.28 +/- 0.71  77.324% * 99.2875% (0.96 10.00   5.31 216.83) =  99.976%  kept
        T HA    LEU  104 - QD1   LEU   63  12.93 +/- 3.18   6.318% *  0.1829% (0.18 10.00   0.02   0.02) =   0.015%
        T HA    LEU  104 - QD1   LEU   73  15.01 +/- 3.96   1.967% *  0.1829% (0.18 10.00   0.02   0.02) =   0.005%
          HA    GLU-  14 - QD1   LEU  104  19.10 +/- 4.10   0.708% *  0.0760% (0.74  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU  104  20.47 +/- 5.72   0.741% *  0.0684% (0.66  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   63  15.28 +/- 3.14   3.033% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD1   LEU  104  20.20 +/- 5.67   0.857% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.14 +/- 4.66   0.489% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  14.69 +/- 2.27   1.445% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  18.90 +/- 4.19   1.603% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  17.32 +/- 4.50   1.494% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  17.90 +/- 2.57   1.239% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  19.68 +/- 4.36   0.759% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  17.53 +/- 4.02   1.065% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  19.02 +/- 4.43   0.958% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.758, support = 5.19, residual support = 208.3:
    * O T HB2   LEU  104 - QD1   LEU  104   2.68 +/- 0.42  26.299% * 89.9548% (0.84  10.0 10.00   5.38 216.83) =  89.840%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  43.973% *  3.3450% (0.03  10.0 10.00   5.54 241.73) =   5.586%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.91 +/- 2.35  22.797% *  5.2469% (0.10   1.0 10.00   0.97   0.50) =   4.542%  kept
        T QD1   ILE  119 - QD1   LEU  104  11.91 +/- 3.30   0.424% *  0.5871% (0.55   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   ILE  119 - QD1   LEU   73  11.66 +/- 3.18   1.451% *  0.1081% (0.10   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU  104 - QD1   LEU   63  10.93 +/- 3.11   0.706% *  0.1657% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   63 - QD1   LEU  104  12.91 +/- 3.48   0.643% *  0.1816% (0.17   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  104 - QD1   LEU   73  13.38 +/- 4.09   0.436% *  0.1657% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD1   LEU  104  10.20 +/- 1.45   0.579% *  0.1001% (0.93   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU   73  10.78 +/- 2.57   0.856% *  0.0334% (0.03   1.0 10.00   0.02   0.13) =   0.001%
          QG2   VAL  108 - QD1   LEU   63  10.38 +/- 2.27   0.628% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.67 +/- 3.34   0.159% *  0.0546% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.75 +/- 2.91   0.323% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.57 +/- 2.16   0.550% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  17.03 +/- 4.06   0.174% *  0.0100% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.684, support = 5.05, residual support = 218.1:
    * O T HB3   LEU  104 - QD1   LEU  104   2.31 +/- 0.28  36.416% * 85.8920% (0.74  10.0 10.00   5.00 216.83) =  91.893%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.45 +/- 0.23  31.177% *  8.5100% (0.07  10.0 10.00   5.78 241.73) =   7.795%  kept
        T HB3   LEU   63 - QD1   LEU   73   9.92 +/- 2.08   2.064% *  2.9301% (0.07   1.0 10.00   0.69   0.13) =   0.178%  kept
          QG1   VAL   18 - QD1   LEU   73   7.24 +/- 3.68   2.512% *  1.3168% (0.16   1.0  1.00   1.42   0.21) =   0.097%
        T HB3   LEU   63 - QD1   LEU  104  12.91 +/- 3.70   0.626% *  0.4621% (0.40   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   70 - QD1   LEU   63   4.85 +/- 1.94  11.686% *  0.0200% (0.17   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   LEU  104 - QD1   LEU   63  11.84 +/- 3.43   1.081% *  0.1582% (0.14   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - QD1   LEU   63   6.83 +/- 2.41   6.263% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   70 - QD1   LEU  104   9.75 +/- 3.54   1.114% *  0.1085% (0.93   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - QD1   LEU  104  12.47 +/- 4.83   0.628% *  0.1114% (0.96   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QD1   LEU   73  14.57 +/- 4.31   0.361% *  0.1582% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU  104  11.79 +/- 3.43   0.447% *  0.1114% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU  104  12.66 +/- 3.12   0.407% *  0.1008% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   7.84 +/- 2.31   1.546% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU   73   8.44 +/- 1.00   1.399% *  0.0205% (0.18   1.0  1.00   0.02   1.19) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   9.00 +/- 1.49   1.145% *  0.0200% (0.17   1.0  1.00   0.02   0.82) =   0.001%
          QD1   LEU   71 - QD1   LEU   63   9.03 +/- 1.20   0.718% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.24 +/- 2.86   0.409% *  0.0205% (0.18   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 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.964, support = 5.23, residual support = 216.7:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  59.758% * 98.3784% (0.97  10.0 10.00   5.24 216.83) =  99.919%  kept
          HB3   LYS+ 121 - QD1   LEU  104  11.05 +/- 6.62   5.277% *  0.7164% (0.97   1.0  1.00   0.15   0.02) =   0.064%
          QD    LYS+  66 - QD1   LEU  104  15.24 +/- 4.83   3.982% *  0.0676% (0.66   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU  104 - QD1   LEU   63  12.13 +/- 3.40   1.297% *  0.1812% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   26 - QD1   LEU  104  14.63 +/- 4.72   5.472% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   73  14.10 +/- 4.11   0.449% *  0.1812% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU  104  11.60 +/- 5.91   2.294% *  0.0304% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD1   LEU  104  15.07 +/- 3.57   0.411% *  0.0964% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   73   8.14 +/- 1.07   1.581% *  0.0175% (0.17   1.0  1.00   0.02  42.84) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.69 +/- 1.17   1.803% *  0.0124% (0.12   1.0  1.00   0.02   6.48) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   9.32 +/- 2.66   1.201% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   6.03 +/- 2.33   5.551% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  17.79 +/- 3.84   0.186% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   9.93 +/- 2.29   0.917% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.35 +/- 3.87   0.369% *  0.0369% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   8.66 +/- 2.36   1.652% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   9.17 +/- 2.87   1.641% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.42 +/- 4.01   0.470% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  12.04 +/- 2.42   0.446% *  0.0178% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  12.28 +/- 2.21   0.519% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.24 +/- 1.14   1.367% *  0.0045% (0.04   1.0  1.00   0.02   3.59) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  17.19 +/- 3.42   0.210% *  0.0245% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.46 +/- 4.28   0.847% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  13.91 +/- 3.21   0.625% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.43 +/- 3.77   0.191% *  0.0178% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  11.20 +/- 2.30   0.659% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.34 +/- 2.64   0.827% *  0.0036% (0.04   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 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 = 5.47, residual support = 215.8:
    * O T QD2   LEU  104 - QD1   LEU  104   2.05 +/- 0.07  50.558% * 92.8935% (0.97  10.0 10.00   5.48 216.83) =  99.489%  kept
          QD1   LEU   98 - QD1   LEU  104   5.76 +/- 1.16   3.438% *  5.2506% (0.30   1.0  1.00   3.66   9.41) =   0.382%  kept
          QG1   VAL   43 - QD1   LEU   73   5.87 +/- 2.76  12.198% *  0.2845% (0.06   1.0  1.00   0.97   6.40) =   0.074%
        T QD2   LEU  104 - QD1   LEU   63   9.69 +/- 2.90   6.557% *  0.1711% (0.18   1.0 10.00   0.02   0.02) =   0.024%
        T QG1   VAL   41 - QD1   LEU  104   7.39 +/- 2.24   1.971% *  0.1838% (0.19   1.0 10.00   0.02   0.02) =   0.008%
        T QG2   VAL   18 - QD1   LEU   73   8.00 +/- 2.95   2.646% *  0.0969% (0.10   1.0 10.00   0.02   0.21) =   0.005%
        T QG2   VAL   18 - QD1   LEU  104  13.54 +/- 3.68   0.306% *  0.5259% (0.55   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU  104 - QD1   LEU   73  10.92 +/- 3.27   0.920% *  0.1711% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   41 - QD1   LEU   73   6.95 +/- 2.41   4.229% *  0.0339% (0.04   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   18 - QD1   LEU   63   8.28 +/- 1.86   1.219% *  0.0969% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   19 - QD1   LEU   73   6.67 +/- 2.40   4.316% *  0.0165% (0.17   1.0  1.00   0.02   4.43) =   0.002%
          QG1   VAL   43 - QD1   LEU  104   8.41 +/- 1.99   1.358% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU  104  12.68 +/- 3.42   0.467% *  0.0896% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   8.46 +/- 1.63   0.942% *  0.0339% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QD1   LEU   63   8.75 +/- 2.29   1.997% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.03 +/- 1.58   1.169% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.49 +/- 2.29   2.817% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   9.48 +/- 2.92   1.101% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.14 +/- 1.69   0.175% *  0.0638% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   9.24 +/- 2.88   0.987% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  10.36 +/- 2.10   0.629% *  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 = 5.86, residual support = 216.8:
    *   T HA    LEU  104 - QD2   LEU  104   2.89 +/- 0.54  79.836% * 99.4871% (1.00 10.00   5.87 216.83) =  99.992%  kept
        T HA    LEU  104 - QG1   VAL   41  10.02 +/- 2.41   3.989% *  0.0534% (0.05 10.00   0.02   0.02) =   0.003%
        T HA    LEU  104 - QG2   VAL   18  17.37 +/- 4.02   0.738% *  0.1529% (0.15 10.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QG2   VAL   18   9.78 +/- 1.74   6.322% *  0.0117% (0.12  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  19.39 +/- 6.35   0.902% *  0.0685% (0.69  1.00   0.02   0.02) =   0.001%
          HA    TRP   87 - QD2   LEU  104  19.13 +/- 6.37   1.219% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD2   LEU  104  18.73 +/- 3.59   0.592% *  0.0762% (0.76  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD2   LEU  104  21.87 +/- 4.09   0.405% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  13.88 +/- 2.40   2.139% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.22 +/- 2.77   1.096% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  22.51 +/- 6.61   0.316% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  19.13 +/- 5.05   0.759% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  22.50 +/- 6.45   0.350% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.76 +/- 3.29   0.683% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  19.39 +/- 4.68   0.656% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.12, residual support = 216.8:
    * O T HB2   LEU  104 - QD2   LEU  104   2.52 +/- 0.36  71.585% * 99.4846% (0.87  10.0 10.00   6.12 216.83) =  99.985%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.61 +/- 2.36   6.614% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - QD2   LEU  104   9.67 +/- 1.14   2.059% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  119 - QD2   LEU  104  11.84 +/- 3.02   1.950% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - QD2   LEU  104  16.37 +/- 3.70   1.639% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  104 - QG2   VAL   18  15.80 +/- 3.77   0.619% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   63 - QD2   LEU  104  12.55 +/- 3.23   4.448% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   18  11.28 +/- 2.69   1.554% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   9.55 +/- 2.94   4.135% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.08 +/- 1.54   1.446% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  15.61 +/- 2.30   0.401% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  11.59 +/- 2.65   1.254% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  17.95 +/- 3.72   0.302% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  10.65 +/- 2.01   1.513% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  17.57 +/- 3.53   0.482% *  0.0032% (0.03   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 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.572, support = 4.97, residual support = 173.8:
    * O T HB3   LEU  104 - QD2   LEU  104   2.97 +/- 0.41  21.635% * 82.8552% (0.76  10.0 10.00   5.41 216.83) =  69.417%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.05 +/- 0.06  52.583% * 14.9408% (0.14  10.0 10.00   4.00  76.43) =  30.423%  kept
        T QG1   VAL   18 - QG1   VAL   41   8.47 +/- 3.50   5.055% *  0.5764% (0.05   1.0 10.00   0.22   0.02) =   0.113%  kept
        T QG1   VAL   18 - QD2   LEU  104  12.03 +/- 2.97   0.458% *  0.9723% (0.90   1.0 10.00   0.02   0.02) =   0.017%
          QD1   LEU   71 - QG1   VAL   41   6.34 +/- 2.25   4.960% *  0.0496% (0.05   1.0  1.00   0.17   0.76) =   0.010%
          QG1   VAL   70 - QD2   LEU  104   9.38 +/- 3.48   1.673% *  0.1046% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - QD2   LEU  104  11.36 +/- 3.36   0.610% *  0.1075% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  123 - QD2   LEU  104  12.61 +/- 4.38   0.584% *  0.1075% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - QG2   VAL   18   7.88 +/- 3.56   3.768% *  0.0161% (0.15   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG1   VAL   41   9.67 +/- 2.45   0.980% *  0.0445% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QD2   LEU  104  12.38 +/- 3.49   0.877% *  0.0446% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG2   VAL   18  16.60 +/- 4.21   0.174% *  0.1273% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   8.71 +/- 3.23   1.134% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG2   VAL   18   8.96 +/- 3.47   2.363% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG1   VAL   41   6.97 +/- 1.14   1.751% *  0.0056% (0.05   1.0  1.00   0.02   2.60) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.85 +/- 2.43   0.418% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.36 +/- 3.31   0.390% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.08 +/- 1.73   0.586% *  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 = 5.79, residual support = 216.8:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  53.143% * 98.9412% (1.00  10.0 10.00   5.79 216.83) =  99.963%  kept
          QD    LYS+  66 - QG2   VAL   18   9.47 +/- 4.07   2.891% *  0.2308% (0.11   1.0  1.00   0.44   0.02) =   0.013%
          HG2   LYS+  65 - QG2   VAL   18   9.12 +/- 5.65   6.108% *  0.0538% (0.04   1.0  1.00   0.28   0.02) =   0.006%
          HB3   LYS+ 121 - QD2   LEU  104  11.46 +/- 5.92   3.104% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HD3   LYS+  74 - QG2   VAL   18   8.59 +/- 7.21  11.982% *  0.0147% (0.15   1.0  1.00   0.02   1.22) =   0.003%
          QG2   THR   26 - QD2   LEU  104  13.86 +/- 4.44   5.703% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QG1   VAL   41   8.71 +/- 2.65   1.461% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  104  11.83 +/- 5.37   2.105% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD2   LEU  104  15.05 +/- 4.30   0.848% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QD2   LEU  104  14.85 +/- 3.80   0.570% *  0.0970% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QG2   VAL   18  16.32 +/- 4.15   0.186% *  0.1520% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QG1   VAL   41   9.49 +/- 3.15   1.307% *  0.0153% (0.01   1.0  1.00   0.29   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  16.81 +/- 3.54   0.189% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  13.53 +/- 3.59   0.375% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.77 +/- 2.13   4.534% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.76 +/- 2.75   0.152% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.86 +/- 2.52   1.827% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  10.91 +/- 1.85   0.565% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.36 +/- 2.54   0.173% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.80 +/- 4.34   0.445% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.35 +/- 2.35   0.457% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  19.23 +/- 3.78   0.138% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  12.72 +/- 2.44   0.550% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.02 +/- 4.09   0.598% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  17.21 +/- 3.10   0.172% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.66 +/- 2.41   0.167% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  13.98 +/- 2.19   0.249% *  0.0013% (0.01   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.964, support = 5.48, residual support = 216.7:
    * O T QD1   LEU  104 - QD2   LEU  104   2.05 +/- 0.07  67.983% * 98.4528% (0.97  10.0 10.00   5.48 216.83) =  99.926%  kept
        T QD1   LEU   63 - QD2   LEU  104   9.69 +/- 2.90   8.638% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.054%
        T QD1   LEU   73 - QD2   LEU  104  10.92 +/- 3.27   1.245% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   73 - QG2   VAL   18   8.00 +/- 2.95   3.490% *  0.0644% (0.06   1.0 10.00   0.02   0.21) =   0.003%
        T QD1   LEU  104 - QG1   VAL   41   7.39 +/- 2.24   2.627% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QG1   VAL   41   6.95 +/- 2.41   5.970% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - QG2   VAL   18   8.28 +/- 1.86   1.690% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - QG2   VAL   18  13.54 +/- 3.68   0.403% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  11.47 +/- 2.57   0.589% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG1   VAL   41   8.46 +/- 1.63   1.323% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.73 +/- 3.87   0.318% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.10 +/- 2.73   0.227% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  13.91 +/- 5.99   0.644% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  13.00 +/- 3.80   1.529% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  14.97 +/- 3.29   0.274% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  15.11 +/- 5.52   0.379% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  12.71 +/- 2.33   0.420% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  12.43 +/- 3.08   0.836% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  12.14 +/- 2.65   0.815% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  15.78 +/- 4.97   0.278% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  14.37 +/- 2.93   0.322% *  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 = 42.0:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.81 +/- 0.11  91.311% * 99.5527% (0.95  10.0 10.00   3.16  41.97) =  99.994%  kept
          HB2   MET   96 - HA    ASP- 105   8.78 +/- 1.04   4.008% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HA    ASP- 105  13.83 +/- 1.85   1.322% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HA    ASP- 105  21.16 +/- 3.83   0.802% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP- 105  17.90 +/- 1.39   0.389% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  14.45 +/- 3.92   1.020% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  16.81 +/- 3.39   0.617% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.06 +/- 4.45   0.265% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.80 +/- 2.68   0.265% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.16, residual support = 42.0:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.81 +/- 0.11  95.411% * 99.7814% (0.95  10.0 10.00   3.16  41.97) =  99.997%  kept
          HB    THR   23 - HB2   ASP- 105  24.28 +/- 6.56   1.062% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - HB2   ASP- 105  22.42 +/- 4.23   1.187% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - HB2   ASP- 105  22.89 +/- 6.71   1.888% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - HB2   ASP- 105  22.33 +/- 3.10   0.452% *  0.0154% (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 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 = 0.996, support = 6.27, residual support = 132.0:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.34 +/- 0.16  80.912% * 81.7415% (1.00  10.0 10.00   6.30 134.86) =  97.406%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.90 +/- 0.43   9.952% * 17.6423% (0.87   1.0  1.00   4.98  23.85) =   2.586%  kept
          QB    LYS+  81 - HA    LYS+ 106  18.65 +/- 4.45   3.265% *  0.0816% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE  103 - HA    LYS+ 106   7.23 +/- 0.56   3.007% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HA    LYS+ 106  13.10 +/- 1.98   0.579% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    LYS+ 106  18.56 +/- 3.30   0.342% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  18.81 +/- 2.28   0.187% *  0.0801% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  19.05 +/- 1.47   0.163% *  0.0773% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  19.73 +/- 3.12   0.199% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.33 +/- 0.86   0.463% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.80 +/- 1.63   0.173% *  0.0496% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.93 +/- 2.63   0.223% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  17.15 +/- 2.44   0.535% *  0.0126% (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 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.09, residual support = 134.8:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.22 +/- 0.56  88.621% * 98.2431% (1.00  10.0 10.00   5.09 134.86) =  99.950%  kept
        T QG    LYS+  81 - HA    LYS+ 106  18.80 +/- 4.42   4.023% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.045%
        T HG2   LYS+  33 - HA    LYS+ 106  20.33 +/- 2.08   0.481% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HA    LYS+ 106  10.95 +/- 3.20   5.808% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  17.86 +/- 3.27   1.066% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 134.8:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.84 +/- 0.36  72.719% * 98.5750% (1.00 10.00   4.80 134.86) =  99.937%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.32 +/- 0.84   3.305% *  0.9836% (1.00 10.00   0.02   0.02) =   0.045%
          HD2   LYS+ 111 - HA    LYS+ 106  12.79 +/- 3.12   5.388% *  0.0716% (0.73  1.00   0.02   0.02) =   0.005%
          QG1   ILE   56 - HA    LYS+ 106  10.46 +/- 1.55   4.657% *  0.0480% (0.49  1.00   0.02   0.02) =   0.003%
          HB3   MET   92 - HA    LYS+ 106  12.51 +/- 0.87   2.329% *  0.0823% (0.84  1.00   0.02   0.02) =   0.003%
          HB2   LEU   73 - HA    LYS+ 106  15.92 +/- 3.79   1.543% *  0.0932% (0.95  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  10.97 +/- 0.73   3.581% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    LYS+ 106  12.91 +/- 0.90   2.155% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LYS+ 106  11.59 +/- 1.04   3.126% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  17.35 +/- 4.21   1.197% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.1, residual support = 119.0:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.54 +/- 0.44  47.177% * 87.0001% (1.00 10.00   5.25 134.86) =  87.169%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.61 +/- 0.81  47.000% * 12.8460% (0.73  1.00   4.07  11.23) =  12.823%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.78 +/- 2.45   3.756% *  0.0823% (0.95  1.00   0.02   0.02) =   0.007%
          HB3   TRP   27 - HA    LYS+ 106  17.20 +/- 3.86   1.548% *  0.0598% (0.69  1.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HA    LYS+ 106  20.21 +/- 1.90   0.519% *  0.0118% (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 = 134.9:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.34 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   6.30 134.86) = 100.000%  kept
    Distance limit 3.50 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 = 5.37, residual support = 134.8:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.33 +/- 0.12  95.556% * 98.2431% (1.00  10.0 10.00   5.37 134.86) =  99.980%  kept
        T QG    LYS+  81 - QB    LYS+ 106  16.90 +/- 4.13   1.743% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.018%
        T HG2   LYS+  33 - QB    LYS+ 106  19.67 +/- 1.84   0.173% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - QB    LYS+ 106   9.99 +/- 2.69   2.141% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  17.33 +/- 2.78   0.387% *  0.0172% (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 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 134.8:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.20 +/- 0.11  92.600% * 97.1433% (1.00  10.0 10.00   5.07 134.86) =  99.971%  kept
        T HD2   LYS+ 111 - QB    LYS+ 106  11.29 +/- 2.65   1.355% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+  99 - QB    LYS+ 106  11.15 +/- 1.07   0.784% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   ILE   56 - QB    LYS+ 106  10.32 +/- 1.44   1.174% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU  123 - QB    LYS+ 106  17.08 +/- 3.59   0.300% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QB    LYS+ 106  11.03 +/- 1.12   0.813% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QB    LYS+ 106  15.75 +/- 3.23   0.406% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.92 +/- 0.87   0.813% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.34 +/- 1.36   1.105% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.00 +/- 1.12   0.648% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.966, support = 5.11, residual support = 119.6:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.87 +/- 0.65  81.281% * 57.8731% (1.00 10.00   5.52 134.86) =  87.674%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.77 +/- 0.66  15.733% * 42.0245% (0.73 10.00   2.16  11.23) =  12.323%  kept
          HB3   PHE   60 - QB    LYS+ 106  12.05 +/- 2.10   1.972% *  0.0547% (0.95  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QB    LYS+ 106  16.65 +/- 3.34   0.623% *  0.0398% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  19.39 +/- 2.01   0.392% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 134.8:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.22 +/- 0.56  95.168% * 99.1803% (1.00  10.0 10.00   5.09 134.86) =  99.987%  kept
        T HA    LYS+ 106 - QG    LYS+  81  18.80 +/- 4.42   4.316% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LYS+ 106 - HG2   LYS+  33  20.33 +/- 2.08   0.517% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 4.37 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 = 0.743, support = 5.46, residual support = 135.4:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.33 +/- 0.12  25.264% * 48.8868% (1.00  10.0 10.00   5.37 134.86) =  51.853%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.29 +/- 0.10  26.474% * 28.0465% (0.57  10.0 10.00   5.64 153.21) =  31.173%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  34.668% * 10.7326% (0.22  10.0 10.00   5.46 111.24) =  15.621%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.17 +/- 1.11   3.144% * 10.0476% (0.87   1.0  1.00   4.74  23.85) =   1.326%  kept
        T QB    LYS+  81 - HG2   LYS+ 106  19.11 +/- 5.30   0.739% *  0.4878% (1.00   1.0 10.00   0.02   0.02) =   0.015%
          HB    ILE  103 - HG2   LYS+ 106   6.21 +/- 1.23   1.985% *  0.0391% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+ 106 - QG    LYS+  81  16.90 +/- 4.13   0.437% *  0.1076% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  33   5.04 +/- 0.53   2.712% *  0.0122% (0.25   1.0  1.00   0.02   0.53) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  20.03 +/- 2.09   0.042% *  0.4624% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.67 +/- 1.84   0.044% *  0.2965% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  22.85 +/- 4.28   0.037% *  0.2958% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  21.75 +/- 5.15   1.150% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.80 +/- 1.52   0.311% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81  10.86 +/- 3.04   0.492% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  21.60 +/- 3.51   0.041% *  0.1018% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.37 +/- 2.13   0.105% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.59 +/- 3.78   1.099% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  20.62 +/- 4.07   0.072% *  0.0408% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  19.37 +/- 3.10   0.061% *  0.0479% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.86 +/- 2.87   0.080% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.22 +/- 1.70   0.127% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.99 +/- 3.39   0.039% *  0.0374% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.93 +/- 3.61   0.057% *  0.0237% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.85 +/- 2.36   0.046% *  0.0297% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.84 +/- 3.12   0.051% *  0.0257% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  19.12 +/- 3.27   0.054% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  19.42 +/- 3.76   0.099% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  20.57 +/- 4.67   0.080% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.67 +/- 2.92   0.088% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  19.01 +/- 3.29   0.067% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.59 +/- 4.61   0.066% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.98 +/- 2.80   0.024% *  0.0227% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.35 +/- 3.02   0.018% *  0.0248% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  29.48 +/- 3.87   0.015% *  0.0291% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  19.61 +/- 4.74   0.075% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.52 +/- 4.40   0.048% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.16 +/- 2.91   0.021% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.21 +/- 4.56   0.026% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.08 +/- 3.22   0.039% *  0.0017% (0.03   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 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 134.8:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.35 +/- 0.12  80.209% * 96.6493% (1.00  10.0 10.00   4.16 134.86) =  99.971%  kept
        T QD    LYS+  99 - HG2   LYS+  33  14.11 +/- 4.80   1.180% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  99 - HG2   LYS+ 106  11.72 +/- 1.28   0.715% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 106 - QG    LYS+  81  16.84 +/- 4.34   0.898% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   92 - QG    LYS+  81  14.10 +/- 3.70   5.592% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  33  19.59 +/- 2.56   0.165% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+  33  11.47 +/- 2.96   1.408% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HG2   LYS+ 106  13.92 +/- 3.58   0.824% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - QG    LYS+  81  22.38 +/- 3.91   0.229% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 106  13.60 +/- 1.73   0.491% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HG2   LYS+  33  22.76 +/- 5.70   1.206% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.55 +/- 1.81   0.659% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.31 +/- 1.26   0.832% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  17.71 +/- 4.05   0.276% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.69 +/- 1.42   1.015% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.70 +/- 1.73   0.378% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  15.32 +/- 5.04   0.666% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  19.62 +/- 4.23   0.209% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  15.95 +/- 2.60   0.386% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  15.20 +/- 2.94   0.740% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.68 +/- 3.29   0.485% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  17.21 +/- 4.66   0.337% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.76 +/- 2.16   0.143% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.44 +/- 2.97   0.081% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  24.09 +/- 3.89   0.149% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.81 +/- 5.12   0.184% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  29.56 +/- 4.06   0.048% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  23.44 +/- 4.47   0.211% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  21.53 +/- 4.86   0.224% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  27.91 +/- 3.48   0.062% *  0.0095% (0.10   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 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.997, support = 4.58, residual support = 133.7:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.67 +/- 0.38  77.639% * 92.3891% (1.00  10.0 10.00   4.60 134.86) =  99.091%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.10 +/- 1.08  10.038% *  6.4934% (0.73   1.0  1.00   1.94  11.23) =   0.900%  kept
        T QE    LYS+ 106 - QG    LYS+  81  17.46 +/- 4.53   0.865% *  0.2033% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 106 - HG2   LYS+  33  19.95 +/- 2.75   0.254% *  0.5603% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HG2   LYS+ 106  14.26 +/- 2.87   1.238% *  0.0874% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  33   8.95 +/- 0.64   2.418% *  0.0385% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+ 106  18.37 +/- 4.38   0.437% *  0.0635% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  20.42 +/- 4.52   1.687% *  0.0148% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   8.31 +/- 0.78   2.976% *  0.0076% (0.08   1.0  1.00   0.02   4.80) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.60 +/- 2.91   0.361% *  0.0407% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.24 +/- 2.99   0.273% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  17.12 +/- 5.72   1.016% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.38 +/- 3.33   0.449% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  21.08 +/- 2.96   0.220% *  0.0125% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  24.74 +/- 4.34   0.128% *  0.0028% (0.03   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 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 134.8:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.84 +/- 0.36  95.637% * 99.1942% (0.99 10.00   4.80 134.86) =  99.963%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.32 +/- 0.84   4.363% *  0.8058% (0.81 10.00   0.02   0.02) =   0.037%
    Distance limit 5.08 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 = 5.05, residual support = 133.8:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.20 +/- 0.11  73.696% * 82.7805% (0.99  10.0 10.00   5.07 134.86) =  99.052%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.61 +/- 0.99   3.943% * 14.3259% (0.86   1.0  1.00   3.99  23.85) =   0.917%  kept
          HB    ILE  103 - QD    LYS+ 106   5.76 +/- 1.38   7.692% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.008%
        T QB    LYS+ 106 - QD    LYS+  99  11.15 +/- 1.07   0.624% *  0.6725% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T HB    ILE   56 - QD    LYS+ 106  13.86 +/- 1.60   0.360% *  0.6326% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  38 - QD    LYS+  99  10.65 +/- 5.27   4.939% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  81 - QD    LYS+ 106  16.64 +/- 4.42   1.043% *  0.0826% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  99   8.74 +/- 1.19   1.378% *  0.0583% (0.70   1.0  1.00   0.02   0.52) =   0.001%
          HB    ILE  103 - QD    LYS+  99   8.97 +/- 1.18   1.345% *  0.0538% (0.64   1.0  1.00   0.02   0.70) =   0.001%
        T HB    ILE   56 - QD    LYS+  99  20.05 +/- 2.49   0.122% *  0.5139% (0.62   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  99  12.97 +/- 3.94   0.787% *  0.0636% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - QD    LYS+  99  14.46 +/- 4.64   1.239% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD    LYS+  99  16.55 +/- 6.38   0.590% *  0.0514% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  16.69 +/- 2.89   0.268% *  0.0811% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  18.42 +/- 3.33   0.225% *  0.0691% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.28 +/- 2.06   0.151% *  0.0783% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.31 +/- 1.53   0.491% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.26 +/- 3.78   0.134% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.22 +/- 2.48   0.161% *  0.0502% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  20.11 +/- 2.66   0.121% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.34 +/- 2.92   0.191% *  0.0340% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  24.43 +/- 2.95   0.067% *  0.0562% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  26.11 +/- 2.98   0.051% *  0.0659% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.99 +/- 2.07   0.206% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.11 +/- 1.46   0.077% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.18 +/- 2.74   0.100% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.16, residual support = 134.8:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.35 +/- 0.12  93.847% * 96.1045% (0.99  10.0 10.00   4.16 134.86) =  99.968%  kept
        T QG    LYS+  81 - QD    LYS+ 106  16.84 +/- 4.34   1.059% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   LYS+  33 - QD    LYS+  99  14.11 +/- 4.80   1.378% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+ 106 - QD    LYS+  99  11.72 +/- 1.28   0.835% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.007%
        T QG    LYS+  81 - QD    LYS+  99  22.38 +/- 3.91   0.268% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QD    LYS+ 106  19.59 +/- 2.56   0.193% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QD    LYS+ 106  11.31 +/- 2.64   1.465% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  17.68 +/- 3.27   0.395% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.16 +/- 3.41   0.299% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  20.02 +/- 3.87   0.260% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 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 = 3.4, residual support = 134.6:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  89.703% * 93.4233% (0.99  10.0 10.00   3.40 134.86) =  99.756%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.58 +/- 0.85   3.595% *  5.4634% (0.72   1.0  1.00   1.61  11.23) =   0.234%  kept
        T QE    LYS+ 106 - QD    LYS+  99  11.19 +/- 1.60   0.729% *  0.7589% (0.81   1.0 10.00   0.02   0.02) =   0.007%
          HB2   PHE   97 - QD    LYS+  99   7.48 +/- 0.96   2.376% *  0.0551% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    LYS+  99  15.83 +/- 5.13   1.422% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    LYS+ 106  13.14 +/- 2.11   0.467% *  0.0884% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.62 +/- 3.72   0.281% *  0.0642% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  17.05 +/- 3.02   0.239% *  0.0718% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.81 +/- 4.33   1.049% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  19.26 +/- 2.75   0.140% *  0.0126% (0.13   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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.25, residual support = 134.9:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.54 +/- 0.44 100.000% *100.0000% (1.00 10.00   5.25 134.86) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 0.974, support = 5.16, residual support = 113.3:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.87 +/- 0.65  58.065% * 53.3343% (1.00 10.00   5.52 134.86) =  80.629%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.65 +/- 1.30  16.058% * 46.2637% (0.87 10.00   3.63  23.85) =  19.342%  kept
          HB    ILE  103 - QE    LYS+ 106   5.35 +/- 1.70  19.839% *  0.0427% (0.80  1.00   0.02   0.02) =   0.022%
          QB    LYS+  81 - QE    LYS+ 106  17.23 +/- 4.57   2.351% *  0.0532% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - QE    LYS+ 106  17.45 +/- 2.82   0.470% *  0.0523% (0.98  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  14.84 +/- 1.82   0.555% *  0.0408% (0.76  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QE    LYS+ 106  19.40 +/- 3.39   0.384% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  18.57 +/- 2.29   0.304% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.47 +/- 2.90   0.357% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  13.23 +/- 1.47   0.764% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  20.95 +/- 3.01   0.237% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.86 +/- 3.18   0.341% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.94 +/- 2.07   0.274% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.6, residual support = 134.8:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.67 +/- 0.38  93.271% * 98.2431% (1.00  10.0 10.00   4.60 134.86) =  99.986%  kept
        T QG    LYS+  81 - QE    LYS+ 106  17.46 +/- 4.53   1.038% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   LYS+  33 - QE    LYS+ 106  19.95 +/- 2.75   0.308% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - QE    LYS+ 106  12.08 +/- 3.24   4.934% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QE    LYS+ 106  18.67 +/- 3.28   0.449% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.4, residual support = 134.8:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  90.843% * 98.5861% (0.99  10.0 10.00   3.40 134.86) =  99.987%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.19 +/- 1.60   0.738% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.008%
          HD2   LYS+ 111 - QE    LYS+ 106  13.11 +/- 3.54   4.434% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB3   MET   92 - QE    LYS+ 106  12.78 +/- 1.59   0.508% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.87 +/- 1.62   0.863% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  12.31 +/- 1.37   0.510% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.31 +/- 1.49   1.336% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  16.79 +/- 3.74   0.243% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  14.10 +/- 1.48   0.343% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  18.91 +/- 4.02   0.181% *  0.0373% (0.38   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 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 = 60.0:
    * O T HB    VAL  107 - HA    VAL  107   2.91 +/- 0.17  88.891% * 99.6302% (0.73  10.0 10.00   3.31  60.04) =  99.994%  kept
          QG    GLU-  79 - HA    VAL  107  18.90 +/- 3.98   2.161% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HA    VAL  107  10.22 +/- 2.67   4.378% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - HA    VAL  107  11.81 +/- 1.24   1.540% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    VAL  107  10.60 +/- 2.25   2.470% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    VAL  107  22.26 +/- 2.88   0.232% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.03 +/- 1.28   0.329% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 60.0:
    * O T HA    VAL  107 - HB    VAL  107   2.91 +/- 0.17  91.591% * 99.7511% (0.73  10.0 10.00   3.31  60.04) =  99.997%  kept
          HA    ALA  110 - HB    VAL  107   8.34 +/- 1.42   5.385% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB    VAL  107  14.47 +/- 0.61   0.768% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  18.87 +/- 3.07   0.468% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  14.69 +/- 2.83   1.294% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  16.96 +/- 1.31   0.493% *  0.0222% (0.16   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 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 = 64.9:
    * O T HB    VAL  108 - HA    VAL  108   2.71 +/- 0.32  91.587% * 99.4465% (1.00  10.0 10.00   3.58  64.93) =  99.992%  kept
          HB2   PRO   93 - HA    VAL  108   8.81 +/- 2.47   5.533% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE  119 - HA    VAL  108  13.27 +/- 2.47   1.148% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    VAL  108  14.74 +/- 3.25   0.915% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    VAL  108  21.49 +/- 1.63   0.218% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  21.55 +/- 1.11   0.201% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.95 +/- 1.57   0.175% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  23.11 +/- 2.03   0.170% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  35.66 +/- 4.59   0.052% *  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 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.9:
    * O T QG1   VAL  108 - HA    VAL  108   2.64 +/- 0.12  97.395% * 99.8607% (1.00  10.0 10.00   3.97  64.93) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  14.71 +/- 2.37   0.738% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.70 +/- 1.05   0.753% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  16.92 +/- 3.57   0.534% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.98 +/- 2.87   0.581% *  0.0175% (0.18   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 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 64.9:
    * O T QG2   VAL  108 - HA    VAL  108   2.56 +/- 0.50  80.408% * 99.7938% (1.00  10.0 10.00   3.30  64.93) =  99.989%  kept
          HG3   LYS+ 112 - HA    VAL  108  10.18 +/- 2.87  16.917% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LEU  104 - HA    VAL  108  13.18 +/- 1.28   1.234% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HA    VAL  108  11.34 +/- 1.72   1.441% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 3.57, residual support = 64.6:
    * O T HA    VAL  108 - HB    VAL  108   2.71 +/- 0.32  83.929% * 96.1483% (1.00  10.0 10.00   3.58  64.93) =  99.484%  kept
          HA1   GLY  109 - HB    VAL  108   5.60 +/- 0.31  11.219% *  3.7057% (0.31   1.0  1.00   2.50   7.47) =   0.513%  kept
          HA    ALA   47 - HB    VAL  108  14.02 +/- 4.02   1.957% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - HB    VAL  108  15.68 +/- 5.36   2.151% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HB    VAL  108  18.41 +/- 5.31   0.743% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.74, residual support = 64.9:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  98.841% * 99.8607% (1.00  10.0 10.00   3.74  64.93) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  16.30 +/- 2.57   0.294% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  14.34 +/- 1.11   0.343% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.11 +/- 3.25   0.305% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  17.82 +/- 2.91   0.218% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 64.9:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.01  96.947% * 99.1471% (1.00  10.0 10.00   3.29  64.93) =  99.994%  kept
        T QD1   ILE  119 - HB    VAL  108  12.78 +/- 1.94   0.566% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HB    VAL  108  12.15 +/- 2.69   1.875% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL  108  12.67 +/- 1.17   0.611% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.95 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 = 0.984, support = 3.95, residual support = 63.6:
    * O T HA    VAL  108 - QG1   VAL  108   2.64 +/- 0.12  62.790% * 95.2116% (1.00  10.0 10.00   3.97  64.93) =  97.709%  kept
          HA1   GLY  109 - QG1   VAL  108   3.43 +/- 0.26  30.090% *  4.6437% (0.31   1.0  1.00   3.16   7.47) =   2.284%  kept
          HA    ALA   47 - QG1   VAL  108  11.33 +/- 3.20   3.466% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HA    CYS   50 - QG1   VAL  108  12.56 +/- 4.13   2.497% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QG1   VAL  108  14.68 +/- 4.27   1.157% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 64.9:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  96.137% * 99.4465% (1.00  10.0 10.00   3.74  64.93) =  99.997%  kept
          HB2   PRO   93 - QG1   VAL  108   9.05 +/- 2.19   1.825% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG1   VAL  108  13.64 +/- 3.10   0.996% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG1   VAL  108  13.16 +/- 2.10   0.525% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QG1   VAL  108  19.14 +/- 1.27   0.142% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  19.80 +/- 1.05   0.123% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  21.02 +/- 1.06   0.103% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  21.50 +/- 2.11   0.108% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  31.68 +/- 4.37   0.041% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 64.9:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.03  95.951% * 99.7938% (1.00  10.0 10.00   3.44  64.93) =  99.998%  kept
          HG3   LYS+ 112 - QG1   VAL  108  10.09 +/- 2.17   2.633% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL  108  12.41 +/- 1.20   0.625% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL  108  11.28 +/- 1.51   0.791% *  0.0725% (0.73   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 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.995, support = 3.29, residual support = 64.5:
    * O T HA    VAL  108 - QG2   VAL  108   2.56 +/- 0.50  69.660% * 96.3206% (1.00  10.0 10.00   3.30  64.93) =  99.223%  kept
          HA1   GLY  109 - QG2   VAL  108   5.06 +/- 0.43  14.654% *  3.5331% (0.31   1.0  1.00   2.38   7.47) =   0.766%  kept
          HA    ALA   47 - QG2   VAL  108  11.27 +/- 2.85   5.178% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          HA    CYS   50 - QG2   VAL  108  12.75 +/- 3.98   7.962% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   49 - QG2   VAL  108  14.89 +/- 4.09   2.546% *  0.0191% (0.20   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 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 64.9:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.01  95.376% * 98.6316% (1.00  10.0 10.00   3.29  64.93) =  99.991%  kept
        T HB    ILE  119 - QG2   VAL  108  12.68 +/- 2.40   0.610% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.006%
          HB2   PRO   93 - QG2   VAL  108   9.07 +/- 2.06   1.885% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   VAL  108  14.13 +/- 2.99   1.462% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QG2   VAL  108  17.03 +/- 1.27   0.207% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  18.26 +/- 1.78   0.165% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  19.52 +/- 1.73   0.133% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  20.27 +/- 1.72   0.120% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.28 +/- 3.86   0.042% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 64.9:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.03  98.156% * 99.8607% (1.00  10.0 10.00   3.44  64.93) =  99.999%  kept
          HB3   LEU   63 - QG2   VAL  108  13.55 +/- 2.10   0.458% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  11.89 +/- 1.09   0.575% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.08 +/- 2.42   0.444% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  14.85 +/- 2.89   0.367% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 9.31:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  98.161% * 98.9563% (1.00  10.0 10.00   2.00   9.31) =  99.995%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.57 +/- 4.48   0.399% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HA    THR  118 - HA1   GLY  109  14.03 +/- 3.57   0.771% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HA1   GLY  109  17.38 +/- 4.00   0.369% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.07 +/- 3.05   0.300% *  0.0719% (0.73   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 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.31:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.067% * 94.0056% (1.00  10.0 10.00   2.00   9.31) =  99.731%  kept
          HA    VAL  108 - HA2   GLY  109   4.43 +/- 0.06   5.754% *  3.9863% (0.31   1.0  1.00   2.75   7.47) =   0.261%  kept
        T HA    CYS   50 - HA2   GLY  109  13.97 +/- 3.63   0.382% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HA    TRP   49 - HA2   GLY  109  16.65 +/- 3.81   0.266% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   47 - HA2   GLY  109  13.54 +/- 2.81   0.439% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  25.14 +/- 2.38   0.034% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.83 +/- 1.18   0.058% *  0.0458% (0.49   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 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 +/- 0.01  96.731% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.988%  kept
        T QB    ALA   61 - HA    ALA  110  11.84 +/- 3.17   1.051% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   80 - HA    ALA  110  20.43 +/- 5.15   0.596% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    ALA  110  19.73 +/- 4.64   0.278% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  18.48 +/- 2.92   0.224% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  19.53 +/- 3.73   0.157% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  17.15 +/- 2.31   0.228% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  19.90 +/- 4.28   0.171% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  23.87 +/- 3.14   0.081% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.64 +/- 4.25   0.190% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.79 +/- 1.69   0.218% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.76 +/- 1.99   0.075% *  0.0304% (0.31   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 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.57:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.01  84.341% * 94.1197% (1.00  10.0 10.00   1.31   9.58) =  99.879%  kept
          HA    PHE   55 - QB    ALA  110   9.16 +/- 2.27   1.762% *  4.8344% (0.87   1.0  1.00   1.18   0.65) =   0.107%  kept
        T HA    ALA  110 - QB    ALA   61  11.84 +/- 3.17   0.919% *  0.6965% (0.74   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL  107 - QB    ALA  110   7.56 +/- 1.60   6.212% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   55 - QB    ALA   61   8.66 +/- 1.44   1.610% *  0.0604% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA  110  12.69 +/- 3.62   0.704% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA   61  14.44 +/- 2.28   0.442% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110  10.37 +/- 3.61   1.543% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  10.36 +/- 1.53   1.044% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  12.69 +/- 1.57   0.549% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.01 +/- 1.73   0.355% *  0.0262% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  12.77 +/- 1.71   0.519% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.997, support = 7.94, residual support = 312.9:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.68 +/- 0.25  75.076% * 97.0356% (1.00  10.0 10.00   7.98 314.81) =  99.383%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.40 +/- 0.71  22.890% *  1.9712% (0.57   1.0  1.00   0.72   0.11) =   0.616%  kept
        T HG3   GLN   30 - HA    LYS+ 111  26.70 +/- 3.56   0.108% *  0.4723% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LYS+ 111  11.92 +/- 1.18   1.003% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  26.69 +/- 3.43   0.117% *  0.0962% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.43 +/- 2.55   0.123% *  0.0842% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  26.56 +/- 3.57   0.096% *  0.0962% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  29.74 +/- 4.84   0.084% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.15 +/- 3.22   0.159% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.69 +/- 2.86   0.130% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.40 +/- 3.34   0.124% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  26.55 +/- 2.68   0.090% *  0.0270% (0.28   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 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.8:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   2.99 +/- 0.59  84.521% * 99.2615% (1.00  10.0 10.00   7.31 314.81) =  99.992%  kept
          HB3   PRO   93 - HA    LYS+ 111   9.84 +/- 3.68   7.559% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HA    LYS+ 111  14.24 +/- 3.25   1.853% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    LYS+ 111  15.30 +/- 2.38   0.912% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  21.79 +/- 4.38   0.407% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  16.36 +/- 1.70   0.635% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  16.62 +/- 2.50   0.737% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.62 +/- 3.72   1.685% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  17.74 +/- 3.28   0.717% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  23.71 +/- 2.39   0.239% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  25.87 +/- 4.10   0.179% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.27 +/- 1.99   0.392% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  27.92 +/- 3.70   0.165% *  0.0795% (0.80   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 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.992, support = 7.3, residual support = 311.0:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.89 +/- 0.65  87.344% * 89.5881% (1.00  10.0 10.00   7.31 314.81) =  98.673%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.68 +/- 1.14  10.647% *  9.8616% (0.38   1.0  1.00   5.87  28.92) =   1.324%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  20.39 +/- 4.12   0.412% *  0.3362% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE   89 - HA    LYS+ 111  17.32 +/- 2.93   0.658% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    LYS+ 111  23.39 +/- 2.52   0.340% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  23.80 +/- 3.01   0.232% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.30 +/- 2.61   0.206% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.59 +/- 2.96   0.161% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 6.2, residual support = 314.7:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.64 +/- 0.61  66.180% * 98.3525% (1.00 10.00   6.21 314.81) =  99.950%  kept
          HG3   PRO   93 - HA    LYS+ 111   9.83 +/- 4.50  16.092% *  0.0853% (0.87  1.00   0.02   0.02) =   0.021%
          HB3   MET   92 - HA    LYS+ 111  10.97 +/- 3.58  10.022% *  0.0964% (0.98  1.00   0.02   0.02) =   0.015%
        T QD    LYS+ 102 - HA    LYS+ 111  21.62 +/- 2.73   0.472% *  0.6756% (0.69 10.00   0.02   0.02) =   0.005%
          QD    LYS+ 106 - HA    LYS+ 111  12.40 +/- 1.86   2.803% *  0.0714% (0.73  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HA    LYS+ 111  18.39 +/- 2.38   0.772% *  0.1518% (0.15 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 111  24.67 +/- 3.66   0.357% *  0.3036% (0.31 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HA    LYS+ 111  17.15 +/- 1.52   0.890% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 111  21.14 +/- 4.47   0.613% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  20.47 +/- 2.64   0.690% *  0.0676% (0.69  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  20.60 +/- 4.08   1.108% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.7:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   3.85 +/- 0.89  80.642% * 98.5544% (1.00 10.00   6.21 314.81) =  99.973%  kept
          QB    ALA   57 - HA    LYS+ 111  10.85 +/- 2.12   9.659% *  0.0983% (1.00  1.00   0.02   0.02) =   0.012%
        T QD    LYS+  33 - HA    LYS+ 111  25.78 +/- 3.25   0.447% *  0.8839% (0.90 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HA    LYS+ 111  18.39 +/- 2.38   1.502% *  0.2457% (0.25 10.00   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HA    LYS+ 111  20.59 +/- 3.96   2.885% *  0.0823% (0.84  1.00   0.02   0.02) =   0.003%
          HB3   LEU  123 - HA    LYS+ 111  18.24 +/- 1.47   1.232% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.67 +/- 1.60   1.632% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  20.60 +/- 4.08   2.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.8:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.32 +/- 0.52  97.332% * 99.8490% (1.00 10.00   5.62 314.81) =  99.998%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.46 +/- 2.08   2.227% *  0.0945% (0.95  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - HA    LYS+ 111  24.37 +/- 4.19   0.442% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 314.8:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.68 +/- 0.25  98.695% * 99.7221% (1.00  10.0 10.00   7.98 314.81) =  99.999%  kept
          HA    PRO   52 - HB2   LYS+ 111  13.81 +/- 2.08   1.048% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG3   GLN   30  26.70 +/- 3.56   0.143% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  27.99 +/- 2.75   0.113% *  0.0130% (0.13   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 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 0.997, support = 7.3, residual support = 313.8:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.88 +/- 0.20  67.193% * 94.3735% (1.00  10.0 10.00   7.31 314.81) =  99.625%  kept
          HB2   LEU   31 - HG3   GLN   30   7.45 +/- 0.74   5.013% *  4.6124% (0.20   1.0  1.00   4.91  52.41) =   0.363%  kept
          HB3   PRO   93 - HB2   LYS+ 111  10.37 +/- 3.53   7.385% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HG3   GLN   30  15.56 +/- 6.04   5.290% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+ 111  14.48 +/- 3.61   1.029% *  0.0685% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB2   LYS+ 111  15.47 +/- 2.48   0.751% *  0.0788% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HB2   LYS+ 111  13.90 +/- 4.05   3.893% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB2   LYS+ 111  21.85 +/- 4.80   0.558% *  0.0871% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB2   LYS+ 111  15.97 +/- 1.67   0.484% *  0.0534% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  12.46 +/- 2.25   1.444% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  27.15 +/- 3.66   0.113% *  0.1897% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  17.15 +/- 2.96   0.457% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  22.58 +/- 3.10   0.216% *  0.0846% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.21 +/- 2.89   1.000% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  18.05 +/- 3.51   0.439% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  25.36 +/- 4.62   0.148% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  19.83 +/- 6.16   0.709% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.34 +/- 2.53   0.276% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  14.15 +/- 3.94   0.962% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  27.27 +/- 3.72   0.107% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  15.69 +/- 2.20   0.543% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  20.52 +/- 4.33   0.584% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  19.94 +/- 4.32   0.344% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.06 +/- 3.61   0.320% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  15.96 +/- 2.69   0.553% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  23.63 +/- 4.73   0.186% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.992, support = 7.27, residual support = 311.3:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.74 +/- 0.24  65.033% * 88.4213% (1.00  10.0 10.00   7.29 314.81) =  98.789%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.36 +/- 1.30   6.821% * 10.2573% (0.38   1.0  1.00   6.18  28.92) =   1.202%  kept
        T HG2   LYS+  74 - HB2   LYS+ 111  20.59 +/- 4.31   0.568% *  0.3319% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HG3   GLN   30  15.85 +/- 6.20  10.473% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  74 - HG3   GLN   30  13.21 +/- 2.74   0.876% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   71 - HB2   LYS+ 111  23.54 +/- 2.94   0.123% *  0.3635% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   GLN   30  10.03 +/- 2.53   5.252% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  17.79 +/- 3.33   0.420% *  0.0876% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   6.60 +/- 1.45   7.388% *  0.0035% (0.04   1.0  1.00   0.02  13.91) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.29 +/- 3.14   0.107% *  0.1750% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.21 +/- 3.86   0.099% *  0.1777% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   GLN   30  10.38 +/- 2.21   2.222% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.28 +/- 3.25   0.190% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  24.10 +/- 2.78   0.112% *  0.0396% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  24.53 +/- 5.21   0.179% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  25.83 +/- 5.04   0.136% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 314.7:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.64 +/- 0.50  62.633% * 97.6852% (1.00  10.0 10.00   6.61 314.81) =  99.964%  kept
          HG3   PRO   93 - HB2   LYS+ 111  10.65 +/- 4.25   7.239% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.010%
          HB3   MET   92 - HB2   LYS+ 111  11.62 +/- 3.74   6.174% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.010%
          HB2   LEU   73 - HG3   GLN   30   8.48 +/- 3.85  10.489% *  0.0176% (0.18   1.0  1.00   0.02   3.11) =   0.003%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.59 +/- 3.15   0.247% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HB2   LYS+ 111  11.63 +/- 2.26   2.210% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   PRO   93 - HG3   GLN   30  21.85 +/- 4.23   0.498% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   GLN   30  14.96 +/- 5.24   5.420% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  12.54 +/- 2.34   1.164% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   GLN   30  17.90 +/- 4.60   0.453% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+ 111  24.08 +/- 3.73   0.142% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  18.65 +/- 2.55   0.262% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB2   LYS+ 111  16.91 +/- 1.34   0.311% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.39 +/- 3.23   0.382% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.06 +/- 4.62   0.238% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.13 +/- 4.47   0.076% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  15.69 +/- 2.45   0.410% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  20.80 +/- 4.31   0.353% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  22.33 +/- 4.63   0.275% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.81 +/- 3.01   0.299% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.25 +/- 3.25   0.200% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  21.10 +/- 6.48   0.524% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.972, support = 6.42, residual support = 304.1:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   2.96 +/- 0.41  62.246% * 91.5310% (1.00  10.0 10.00   6.61 314.81) =  96.593%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.45 +/- 1.13  29.317% *  6.8376% (0.18   1.0 10.00   0.83   0.53) =   3.399%  kept
          QB    ALA   57 - HB2   LYS+ 111  11.82 +/- 1.98   1.316% *  0.0913% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HB2   LYS+ 111  25.34 +/- 3.42   0.126% *  0.8209% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HB2   LYS+ 111  18.65 +/- 2.55   0.433% *  0.2282% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HB2   LYS+ 111  20.84 +/- 4.21   0.656% *  0.0765% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  15.69 +/- 2.45   0.606% *  0.0459% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  18.07 +/- 1.38   0.332% *  0.0821% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  13.42 +/- 2.75   1.489% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.20 +/- 4.45   0.124% *  0.1840% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  15.05 +/- 2.56   0.581% *  0.0254% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  22.84 +/- 5.00   0.772% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.98 +/- 3.03   0.552% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  20.80 +/- 4.31   0.549% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  21.10 +/- 6.48   0.587% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  20.32 +/- 4.56   0.313% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 314.8:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.62 +/- 0.62  68.612% * 99.6189% (1.00 10.00   6.05 314.81) =  99.991%  kept
          HB2   CYS   21 - HG3   GLN   30   6.50 +/- 2.45  28.000% *  0.0113% (0.11  1.00   0.02   0.02) =   0.005%
          HB2   PHE   45 - HB2   LYS+ 111  13.83 +/- 2.43   1.909% *  0.0942% (0.95  1.00   0.02   0.02) =   0.003%
        T QE    LYS+ 111 - HG3   GLN   30  25.66 +/- 3.95   0.426% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  24.16 +/- 4.51   0.386% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  18.86 +/- 2.65   0.666% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.07 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 = 314.8:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   2.99 +/- 0.59  98.495% * 99.9354% (1.00  10.0 10.00   7.31 314.81) =  99.999%  kept
          HA    PRO   52 - HG2   LYS+ 111  13.80 +/- 2.47   1.505% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 7.31, residual support = 314.5:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.88 +/- 0.20  72.729% * 98.7542% (1.00  10.0 10.00   7.31 314.81) =  99.916%  kept
          QB    GLU- 114 - HG2   LYS+ 111   5.13 +/- 1.43  25.166% *  0.2351% (0.57   1.0  1.00   0.08   0.11) =   0.082%
        T HG3   GLN   30 - HG2   LYS+ 111  27.15 +/- 3.66   0.134% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   LYS+ 111  27.47 +/- 3.98   0.193% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+ 111  13.37 +/- 1.51   0.808% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  27.14 +/- 3.92   0.125% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.45 +/- 2.88   0.133% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  30.01 +/- 4.91   0.099% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.32 +/- 3.21   0.165% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.18 +/- 3.47   0.161% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  26.19 +/- 3.68   0.133% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.82 +/- 3.57   0.153% *  0.0220% (0.22   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 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 = 314.4:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  97.857% * 89.3139% (1.00  10.0 10.00   6.98 314.81) =  99.849%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.22 +/- 1.63   1.430% *  9.0666% (0.38   1.0  1.00   5.41  28.92) =   0.148%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  17.48 +/- 3.58   0.155% *  0.8852% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+ 111  21.31 +/- 4.45   0.363% *  0.3352% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.11 +/- 3.63   0.064% *  0.3047% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  25.19 +/- 2.99   0.042% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  24.68 +/- 3.09   0.046% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.23 +/- 3.37   0.043% *  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 = 0.999, support = 6.2, residual support = 314.6:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.85 +/- 0.19  83.777% * 97.1375% (1.00  10.0 10.00   6.21 314.81) =  99.947%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  11.69 +/- 2.89   3.934% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.034%
          HG3   PRO   93 - HG2   LYS+ 111  10.89 +/- 4.43   6.028% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.006%
        T QD    LYS+  99 - HG2   LYS+ 111  20.21 +/- 3.62   0.458% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HG2   LYS+ 111  11.55 +/- 3.69   3.172% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.09 +/- 3.57   0.288% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+ 111  19.36 +/- 2.99   0.779% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  25.03 +/- 3.72   0.165% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HG2   LYS+ 111  18.37 +/- 1.58   0.359% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  21.86 +/- 4.48   0.355% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  20.76 +/- 4.52   0.685% *  0.0192% (0.20   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 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.8:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.55 +/- 0.26  95.653% * 97.8296% (1.00  10.0 10.00   6.21 314.81) =  99.987%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  21.51 +/- 4.48   1.069% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.009%
          QB    ALA   57 - HG2   LYS+ 111  12.33 +/- 2.13   1.249% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.36 +/- 2.99   0.478% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+ 111  26.24 +/- 3.26   0.107% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  19.47 +/- 1.64   0.260% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  20.76 +/- 4.52   0.748% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  16.59 +/- 2.49   0.437% *  0.0272% (0.28   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 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.8:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.63 +/- 0.51  98.857% * 99.8490% (1.00  10.0 10.00   5.62 314.81) =  99.999%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.12 +/- 2.54   0.957% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+ 111  24.91 +/- 4.35   0.186% *  0.0565% (0.57   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 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 314.8:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.89 +/- 0.65  97.217% * 99.8218% (1.00  10.0 10.00   7.31 314.81) =  99.998%  kept
          HA    PRO   52 - HG3   LYS+ 111  13.65 +/- 2.59   1.593% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 111 - HG2   LYS+  74  20.39 +/- 4.12   0.457% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - HG2   LYS+  74  18.46 +/- 3.05   0.732% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 7.28, residual support = 314.5:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.74 +/- 0.24  65.310% * 98.0693% (1.00  10.0 10.00   7.29 314.81) =  99.912%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.04 +/- 1.43  22.170% *  0.2334% (0.57   1.0  1.00   0.08   0.11) =   0.081%
        T HB    ILE   19 - HG2   LYS+  74  11.11 +/- 4.76   2.420% *  0.0510% (0.05   1.0 10.00   0.02   7.68) =   0.002%
        T HB2   LYS+ 111 - HG2   LYS+  74  20.59 +/- 4.31   0.589% *  0.1048% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG3   LYS+ 111  25.35 +/- 3.36   0.127% *  0.4774% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  27.21 +/- 3.86   0.102% *  0.4774% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   LYS+  74  13.21 +/- 2.74   0.883% *  0.0510% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   LYS+  74  13.94 +/- 5.99   1.352% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.55 +/- 1.42   0.636% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  14.26 +/- 3.54   1.463% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  27.55 +/- 3.96   0.128% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  27.22 +/- 3.97   0.104% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.46 +/- 2.78   0.097% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.14 +/- 5.06   0.075% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  14.18 +/- 3.24   1.480% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  16.41 +/- 4.44   0.499% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.18 +/- 3.36   0.118% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  17.00 +/- 2.90   0.341% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  26.13 +/- 3.67   0.114% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.88 +/- 3.72   0.119% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  12.53 +/- 2.81   1.024% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  17.64 +/- 3.15   0.325% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.48 +/- 2.86   0.344% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.72 +/- 4.03   0.182% *  0.0029% (0.03   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 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 314.8:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  88.535% * 98.9181% (1.00  10.0 10.00   6.98 314.81) =  99.997%  kept
          HB3   PRO   93 - HG3   LYS+ 111  10.71 +/- 3.84   2.362% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 111  15.07 +/- 3.56   0.499% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  21.31 +/- 4.45   0.326% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.79 +/- 5.26   0.282% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+  74   7.42 +/- 2.24   2.058% *  0.0077% (0.08   1.0  1.00   0.02   4.29) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.55 +/- 2.82   0.188% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.01 +/- 3.91   0.728% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.33 +/- 4.40   0.113% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  18.84 +/- 3.70   0.113% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  16.48 +/- 2.97   0.147% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74   9.96 +/- 1.86   0.680% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  17.42 +/- 1.75   0.106% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  23.41 +/- 3.56   0.061% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.72 +/- 3.78   0.159% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  12.82 +/- 3.24   0.495% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.10 +/- 4.37   0.037% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  19.98 +/- 2.65   0.074% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.05 +/- 2.84   0.264% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  11.91 +/- 2.83   0.674% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.81 +/- 1.33   1.313% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  28.30 +/- 3.47   0.025% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.84 +/- 3.20   0.311% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  13.15 +/- 1.67   0.254% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  16.98 +/- 2.51   0.131% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.15 +/- 2.33   0.064% *  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 = 314.2:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.71 +/- 0.22  70.466% * 94.6589% (1.00  10.0 10.00   5.39 314.81) =  99.779%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.66 +/- 0.77   5.539% *  2.1615% (0.10   1.0  1.00   4.76  42.84) =   0.179%  kept
        T QD    LYS+ 106 - HG3   LYS+ 111  11.55 +/- 2.59   1.984% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.020%
          HG3   PRO   93 - HG3   LYS+ 111  10.80 +/- 4.57   4.990% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HB3   MET   92 - HG3   LYS+ 111  11.29 +/- 3.74   2.330% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HG3   LYS+ 111  20.20 +/- 3.66   0.295% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   LYS+ 111  20.93 +/- 3.45   0.196% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HG2   LYS+  74  22.45 +/- 4.94   1.133% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  74   9.17 +/- 3.33   6.207% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.44 +/- 2.94   0.367% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  16.67 +/- 3.27   0.499% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   LYS+ 111  24.99 +/- 3.48   0.113% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.78 +/- 3.77   0.393% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.66 +/- 1.46   0.252% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  21.89 +/- 4.65   0.222% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  17.15 +/- 3.87   0.561% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  21.12 +/- 3.25   0.233% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  13.03 +/- 3.12   1.521% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.60 +/- 4.76   0.661% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  14.65 +/- 2.84   0.931% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  20.46 +/- 3.21   0.213% *  0.0091% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  14.03 +/- 2.91   0.896% *  0.0020% (0.02   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.926, support = 5.41, residual support = 304.3:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.78 +/- 0.31  44.582% * 89.7666% (1.00  10.0 10.00   5.39 314.81) =  91.841%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.79 +/- 0.19  44.241% *  8.0133% (0.09  10.0 10.00   5.54 186.86) =   8.136%  kept
        T HD2   LYS+  74 - HG3   LYS+ 111  21.47 +/- 4.49   0.735% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.013%
        T QD    LYS+  65 - HG2   LYS+  74   9.17 +/- 3.33   4.600% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HG2   LYS+  74  22.57 +/- 4.98   1.020% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+ 111  12.34 +/- 2.21   0.806% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG3   LYS+ 111  19.44 +/- 2.94   0.238% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 111  26.28 +/- 3.32   0.066% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+  74  14.59 +/- 2.40   0.366% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  74  11.01 +/- 2.63   1.768% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.78 +/- 1.42   0.125% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.76 +/- 2.48   0.244% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  20.60 +/- 4.76   0.297% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  14.03 +/- 2.91   0.625% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.04 +/- 3.34   0.134% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.37 +/- 2.51   0.154% *  0.0027% (0.03   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 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 314.8:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.50 +/- 0.44  90.427% * 99.7265% (1.00  10.0 10.00   5.44 314.81) =  99.995%  kept
        T QE    LYS+ 111 - HG2   LYS+  74  20.36 +/- 4.63   3.420% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PHE   45 - HG3   LYS+ 111  13.93 +/- 2.39   0.831% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+  74  10.55 +/- 5.13   3.683% *  0.0060% (0.06   1.0  1.00   0.02   9.41) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74  11.01 +/- 2.34   1.489% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  24.92 +/- 4.65   0.150% *  0.0565% (0.57   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 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.8:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.64 +/- 0.61  93.079% * 99.4172% (1.00 10.00   6.21 314.81) =  99.994%  kept
        T HA    LYS+ 111 - QD    LYS+  65  18.39 +/- 2.38   1.160% *  0.1523% (0.15 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+ 102  21.62 +/- 2.73   0.656% *  0.2599% (0.26 10.00   0.02   0.02) =   0.002%
          HA    PRO   52 - HD2   LYS+ 111  14.98 +/- 2.44   2.189% *  0.0643% (0.65  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 111 - QD    LYS+  38  24.67 +/- 3.66   0.497% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  15.88 +/- 2.85   1.602% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.52 +/- 4.18   0.542% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  27.60 +/- 3.47   0.276% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 314.6:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.64 +/- 0.50  48.907% * 97.7703% (1.00  10.0 10.00   6.61 314.81) =  99.944%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.31 +/- 1.47   9.611% *  0.2327% (0.57   1.0  1.00   0.08   0.11) =   0.047%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.59 +/- 3.15   0.186% *  0.2556% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+ 102  17.90 +/- 4.60   0.345% *  0.1244% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   9.43 +/- 6.57  20.500% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  18.65 +/- 2.55   0.197% *  0.1498% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  28.13 +/- 4.47   0.060% *  0.4759% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  38  12.54 +/- 2.34   0.781% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65  12.42 +/- 4.70   1.607% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.52 +/- 1.25   2.998% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  15.69 +/- 2.45   0.279% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65  11.09 +/- 1.48   0.867% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.03 +/- 5.07   0.396% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.89 +/- 1.69   0.401% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  12.13 +/- 3.26   1.184% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  24.08 +/- 3.73   0.106% *  0.0736% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  15.67 +/- 3.93   0.910% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.24 +/- 5.90   0.262% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  14.31 +/- 3.13   0.881% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.95 +/- 1.26   0.886% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  31.05 +/- 5.75   0.061% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.53 +/- 4.38   0.423% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  28.55 +/- 4.25   0.052% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  14.67 +/- 3.09   0.333% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.36 +/- 3.06   0.058% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  28.07 +/- 4.00   0.048% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  13.57 +/- 2.81   1.222% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  22.41 +/- 4.85   0.185% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  13.18 +/- 2.78   0.532% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  21.98 +/- 4.89   0.151% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.70 +/- 1.76   0.245% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  21.66 +/- 4.96   0.320% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.33 +/- 3.80   0.069% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.01 +/- 2.04   0.371% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  25.04 +/- 3.71   0.072% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.19 +/- 3.47   0.949% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  26.75 +/- 4.24   0.104% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.64 +/- 3.22   0.178% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.74 +/- 4.23   0.341% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  11.62 +/- 2.11   1.151% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.61 +/- 1.76   0.502% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  26.82 +/- 4.38   0.073% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  19.26 +/- 3.38   0.254% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.47 +/- 1.90   0.306% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.56 +/- 2.18   0.122% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.64 +/- 3.76   0.138% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.38 +/- 3.60   0.112% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  19.54 +/- 4.57   0.267% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.91, support = 6.15, residual support = 305.5:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.85 +/- 0.19  24.266% * 90.8110% (1.00  10.0 10.00   6.21 314.81) =  90.406%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.37 +/- 0.15  42.092% *  5.4729% (0.06  10.0 10.00   5.75 221.19) =   9.451%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  12.02 +/- 4.00   9.168% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.105%  kept
        T HG2   LYS+  99 - QD    LYS+ 102   8.35 +/- 1.20   1.216% *  0.2129% (0.23   1.0 10.00   0.02   1.55) =   0.011%
        T HG2   LYS+  99 - QD    LYS+  38  10.34 +/- 5.41   3.179% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  38 - QD    LYS+ 102  14.65 +/- 4.92   0.478% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  99 - HD2   LYS+ 111  23.93 +/- 4.06   0.076% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  38 - QD    LYS+  65  19.68 +/- 4.05   0.308% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  16.43 +/- 4.01   0.347% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  29.04 +/- 4.24   0.031% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.36 +/- 2.99   0.155% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   8.04 +/- 1.60   2.031% *  0.0106% (0.12   1.0  1.00   0.02   2.22) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.09 +/- 3.57   0.082% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HD2   LYS+ 111  22.95 +/- 5.41   0.212% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   8.19 +/- 0.69   1.135% *  0.0116% (0.13   1.0  1.00   0.02   3.59) =   0.001%
          QG2   THR   77 - QD    LYS+  65  11.01 +/- 3.15   6.038% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  20.32 +/- 3.84   0.101% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD2   LYS+ 111  17.65 +/- 2.84   0.156% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.16 +/- 4.18   0.618% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.48 +/- 3.01   1.095% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  15.49 +/- 5.07   0.310% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  10.71 +/- 2.48   0.677% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  17.33 +/- 1.89   0.128% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.71 +/- 4.06   0.490% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.44 +/- 3.06   0.143% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.77 +/- 3.75   0.133% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.89 +/- 4.07   0.292% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.82 +/- 5.17   0.286% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.05 +/- 5.12   0.042% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.86 +/- 3.13   0.090% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.54 +/- 1.74   0.493% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  25.03 +/- 3.72   0.046% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  19.64 +/- 6.03   0.230% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.00 +/- 3.89   0.731% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  19.40 +/- 3.17   0.105% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.81 +/- 5.84   0.536% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  21.59 +/- 4.94   0.092% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.94 +/- 1.63   0.107% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  12.81 +/- 2.36   0.427% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  15.86 +/- 3.42   0.318% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.96 +/- 3.24   0.246% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  19.12 +/- 4.74   0.142% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.79 +/- 3.85   0.141% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.05 +/- 2.98   0.135% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  17.33 +/- 2.59   0.159% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.40 +/- 5.56   0.099% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.01 +/- 1.43   0.076% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.54 +/- 1.95   0.118% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  20.83 +/- 3.65   0.133% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  21.15 +/- 4.36   0.089% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  23.57 +/- 4.76   0.065% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  17.81 +/- 2.56   0.137% *  0.0011% (0.01   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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.996, support = 5.39, residual support = 313.1:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.71 +/- 0.22  49.360% * 90.8531% (1.00  10.0 10.00   5.39 314.81) =  99.405%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   8.60 +/- 1.73   3.430% *  7.4381% (0.38   1.0  1.00   4.36  28.92) =   0.565%  kept
        T HG2   LYS+  74 - HD2   LYS+ 111  22.45 +/- 4.94   0.862% *  0.3410% (0.38   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  99 - QD    LYS+  38  10.47 +/- 5.69  11.413% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  99 - QD    LYS+ 102   8.20 +/- 1.74   3.200% *  0.0810% (0.09   1.0 10.00   0.02   1.55) =   0.006%
        T HG2   LYS+  74 - QD    LYS+  65   9.17 +/- 3.33   4.540% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  99 - HD2   LYS+ 111  23.60 +/- 4.21   0.126% *  0.3099% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.44 +/- 2.94   0.272% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+ 102  20.93 +/- 3.45   0.138% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  38  10.67 +/- 3.79   8.330% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  18.48 +/- 3.62   0.273% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  65  12.56 +/- 3.19   2.397% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  21.12 +/- 3.25   0.166% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  20.26 +/- 3.77   0.211% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38   9.94 +/- 3.47   3.429% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.19 +/- 3.04   1.503% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  13.24 +/- 3.14   6.311% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  17.15 +/- 3.87   0.314% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  21.22 +/- 6.08   0.289% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  18.28 +/- 4.55   0.555% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  24.99 +/- 3.48   0.079% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  18.84 +/- 4.73   0.458% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  18.97 +/- 3.95   0.287% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  26.05 +/- 3.45   0.080% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  25.51 +/- 3.53   0.085% *  0.0374% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.85 +/- 3.08   0.586% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.73 +/- 3.42   0.604% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.21 +/- 3.77   0.074% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  23.49 +/- 4.19   0.147% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  18.95 +/- 4.81   0.255% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  24.88 +/- 5.58   0.104% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  24.61 +/- 5.00   0.126% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.05 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 = 314.8:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.37 +/- 0.14  88.979% * 99.2899% (1.00  10.0 10.00   4.97 314.81) =  99.996%  kept
          HB2   CYS   21 - QD    LYS+ 102  18.59 +/- 5.31   6.463% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.42 +/- 2.78   0.466% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+ 102  19.80 +/- 3.54   0.210% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD2   LYS+ 111  15.41 +/- 2.50   0.396% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  14.14 +/- 3.08   1.597% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  23.42 +/- 3.88   0.120% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.90 +/- 2.74   0.290% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.88 +/- 4.99   0.109% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  14.30 +/- 3.48   0.693% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  16.39 +/- 2.56   0.489% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  19.83 +/- 2.53   0.187% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 314.8:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.85 +/- 0.89  92.387% * 98.7339% (1.00 10.00   6.21 314.81) =  99.988%  kept
        T HA    LYS+ 111 - QD    LYS+  33  25.78 +/- 3.25   0.519% *  0.8848% (0.90 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 111 - QD    LYS+  65  18.39 +/- 2.38   1.736% *  0.2444% (0.25 10.00   0.02   0.02) =   0.005%
          HA    PRO   52 - HD3   LYS+ 111  15.26 +/- 2.31   2.772% *  0.0639% (0.65  1.00   0.02   0.02) =   0.002%
          HA    PRO   52 - QD    LYS+  65  15.88 +/- 2.85   2.140% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.29 +/- 2.94   0.445% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.952, support = 6.14, residual support = 288.9:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   2.96 +/- 0.41  34.917% * 81.9087% (1.00  10.0 10.00   6.61 314.81) =  91.745%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.45 +/- 1.13  16.612% * 14.8058% (0.44   1.0 10.00   0.83   0.53) =   7.890%  kept
          HB2   GLN   30 - QD    LYS+  33   5.04 +/- 1.16  12.486% *  0.6772% (0.20   1.0  1.00   0.83   0.53) =   0.271%  kept
          QB    GLU- 114 - HD3   LYS+ 111   5.52 +/- 1.35   8.242% *  0.1950% (0.57   1.0  1.00   0.08   0.11) =   0.052%
          HB2   GLN   17 - QD    LYS+  33  10.35 +/- 2.90   5.785% *  0.0727% (0.89   1.0  1.00   0.02   0.02) =   0.013%
          QB    GLU-  15 - QD    LYS+  33   8.90 +/- 2.82   3.685% *  0.0727% (0.89   1.0  1.00   0.02   0.02) =   0.009%
          HB    ILE   19 - QD    LYS+  33   6.93 +/- 2.09   5.343% *  0.0357% (0.44   1.0  1.00   0.02   0.02) =   0.006%
          HB2   GLN   17 - QD    LYS+  65  12.42 +/- 4.70   3.883% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   68 - QD    LYS+  33  15.31 +/- 3.08   0.865% *  0.0637% (0.78   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  33  25.34 +/- 3.42   0.069% *  0.7340% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+ 111 - QD    LYS+  65  18.65 +/- 2.55   0.242% *  0.2028% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD    LYS+  33  12.35 +/- 1.15   0.541% *  0.0658% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  15.69 +/- 2.45   0.325% *  0.0987% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  28.20 +/- 4.45   0.071% *  0.3987% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  33  15.66 +/- 3.11   0.594% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65  11.09 +/- 1.48   0.874% *  0.0176% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  13.89 +/- 4.95   0.685% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  14.67 +/- 3.09   0.522% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  28.61 +/- 4.25   0.094% *  0.0812% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.95 +/- 1.26   0.864% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.13 +/- 1.50   0.337% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  13.18 +/- 2.78   0.587% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  20.84 +/- 2.53   0.123% *  0.0416% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  28.08 +/- 3.90   0.060% *  0.0812% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.01 +/- 2.04   0.418% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.50 +/- 3.06   0.065% *  0.0710% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.44 +/- 3.70   0.085% *  0.0399% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  31.08 +/- 5.73   0.045% *  0.0735% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.64 +/- 3.22   0.179% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  20.28 +/- 3.77   0.183% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  25.19 +/- 3.59   0.080% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.61 +/- 1.76   0.577% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  26.71 +/- 4.20   0.067% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  26.88 +/- 4.33   0.081% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.47 +/- 1.90   0.312% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.38 +/- 3.60   0.104% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.3:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.55 +/- 0.26  60.845% * 93.6268% (1.00  10.0 10.00   6.21 314.81) =  99.843%  kept
          HB2   LEU   31 - QD    LYS+  33   8.01 +/- 0.70   2.217% *  3.5381% (0.89   1.0  1.00   0.85   1.43) =   0.137%  kept
          HB3   PRO   93 - HD3   LYS+ 111  12.21 +/- 3.71   3.782% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QD    LYS+  33   9.36 +/- 1.26   1.570% *  0.0672% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD    LYS+  33  18.15 +/- 4.68   1.956% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  38 - QD    LYS+  65  19.68 +/- 4.05   0.411% *  0.1856% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HD3   LYS+ 111  22.91 +/- 5.69   0.825% *  0.0864% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.36 +/- 2.99   0.296% *  0.2318% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+  33  13.86 +/- 4.59   0.863% *  0.0752% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  26.24 +/- 3.26   0.068% *  0.8390% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD    LYS+  65  11.01 +/- 3.15  12.220% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  20.32 +/- 3.84   0.208% *  0.2079% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   8.19 +/- 0.69   2.173% *  0.0194% (0.21   1.0  1.00   0.02   3.59) =   0.001%
          HB3   ASP-  44 - HD3   LYS+ 111  16.58 +/- 3.76   0.529% *  0.0680% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  33  15.22 +/- 2.89   0.498% *  0.0701% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  65  15.48 +/- 3.01   2.391% *  0.0131% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HD3   LYS+ 111  17.77 +/- 2.60   0.304% *  0.0782% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  10.71 +/- 2.48   1.262% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.28 +/- 4.18   1.419% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.90 +/- 2.64   0.499% *  0.0376% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.65 +/- 1.66   0.277% *  0.0609% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  17.89 +/- 4.07   0.672% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  20.81 +/- 4.81   0.185% *  0.0774% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  17.48 +/- 3.46   0.337% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  16.71 +/- 4.06   0.650% *  0.0214% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  17.46 +/- 1.59   0.246% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  23.91 +/- 3.97   0.134% *  0.0840% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.81 +/- 4.00   0.307% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  27.06 +/- 5.12   0.084% *  0.0928% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.83 +/- 3.19   0.158% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  12.81 +/- 2.36   0.898% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  29.10 +/- 4.18   0.060% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  20.50 +/- 3.21   0.171% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  20.34 +/- 3.42   0.153% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  23.52 +/- 4.04   0.102% *  0.0376% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.91 +/- 2.12   0.263% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.96 +/- 3.24   0.428% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  18.79 +/- 3.85   0.298% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.05 +/- 2.98   0.237% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 313.7:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.78 +/- 0.31  54.646% * 90.2770% (1.00  10.0 10.00   5.39 314.81) =  99.633%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   8.90 +/- 1.27   2.158% *  7.3944% (0.38   1.0  1.00   4.36  28.92) =   0.322%  kept
        T HG2   LYS+  74 - HD3   LYS+ 111  22.57 +/- 4.98   1.696% *  0.3388% (0.38   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   LYS+  74 - QD    LYS+  65   9.17 +/- 3.33   5.480% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.009%
          HB3   LEU   71 - QD    LYS+  33   9.07 +/- 2.95  10.756% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.008%
          HG    LEU   71 - QD    LYS+  33   9.08 +/- 2.66   5.071% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  33  14.59 +/- 2.40   0.465% *  0.3036% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - QD    LYS+  33   6.79 +/- 2.33   7.069% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  65  19.44 +/- 2.94   0.369% *  0.2235% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 111 - QD    LYS+  33  26.28 +/- 3.32   0.091% *  0.8090% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  65  12.56 +/- 3.19   3.927% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  65  13.19 +/- 3.04   3.977% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  18.51 +/- 3.89   0.350% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QD    LYS+  33  14.14 +/- 4.78   1.126% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD    LYS+  65  20.26 +/- 3.77   0.197% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  24.83 +/- 4.14   0.128% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  18.97 +/- 3.95   0.327% *  0.0222% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.85 +/- 3.08   0.805% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  23.60 +/- 4.14   0.177% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  24.96 +/- 4.65   0.153% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.20 +/- 3.34   0.093% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  25.65 +/- 3.44   0.099% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  13.73 +/- 3.42   0.732% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.31 +/- 3.67   0.108% *  0.0179% (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 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 = 314.8:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.41 +/- 0.13  93.930% * 98.5534% (1.00  10.0 10.00   4.97 314.81) =  99.995%  kept
        T QE    LYS+ 111 - QD    LYS+  65  18.42 +/- 2.78   0.559% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    LYS+  33   9.36 +/- 2.05   2.625% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  33  24.65 +/- 3.36   0.133% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.53 +/- 2.60   0.426% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  14.14 +/- 3.08   1.162% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  19.61 +/- 2.04   0.208% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  14.30 +/- 3.48   0.828% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.02 +/- 4.75   0.128% *  0.0558% (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 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.8:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.32 +/- 0.52  96.510% * 99.9354% (1.00 10.00   5.62 314.81) =  99.998%  kept
          HA    PRO   52 - QE    LYS+ 111  12.85 +/- 2.49   3.490% *  0.0646% (0.65  1.00   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 6.05, residual support = 314.5:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.62 +/- 0.62  66.645% * 98.7542% (1.00 10.00   6.05 314.81) =  99.893%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.39 +/- 1.11  28.057% *  0.2351% (0.57  1.00   0.08   0.11) =   0.100%  kept
        T HG3   GLN   30 - QE    LYS+ 111  25.66 +/- 3.95   0.441% *  0.4807% (0.49 10.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QE    LYS+ 111  25.86 +/- 3.75   0.537% *  0.0979% (0.99  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QE    LYS+ 111  12.98 +/- 1.29   1.669% *  0.0220% (0.22  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QE    LYS+ 111  25.40 +/- 3.69   0.323% *  0.0979% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  23.92 +/- 2.91   0.314% *  0.0857% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.97 +/- 3.45   0.549% *  0.0481% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.14 +/- 4.90   0.254% *  0.0886% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.79 +/- 3.41   0.365% *  0.0406% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.51 +/- 3.83   0.513% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  24.61 +/- 3.77   0.331% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 314.8:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.63 +/- 0.51  77.461% * 99.2615% (1.00  10.0 10.00   5.62 314.81) =  99.989%  kept
          HB3   PRO   93 - QE    LYS+ 111  10.88 +/- 3.68  16.490% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.007%
          HB3   ASP-  44 - QE    LYS+ 111  14.98 +/- 3.58   1.783% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QE    LYS+ 111  16.16 +/- 2.54   0.480% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QE    LYS+ 111  20.71 +/- 5.01   0.372% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  15.97 +/- 1.81   0.488% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  15.37 +/- 2.72   0.551% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  22.10 +/- 3.56   0.217% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  16.73 +/- 3.42   0.562% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.69 +/- 3.71   1.015% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.33 +/- 2.77   0.332% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  24.67 +/- 4.48   0.132% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  26.53 +/- 3.93   0.116% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.995, support = 5.43, residual support = 312.4:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.50 +/- 0.44  87.331% * 91.2085% (1.00  10.0 10.00   5.44 314.81) =  99.164%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   8.07 +/- 1.55   8.015% *  8.2312% (0.38   1.0  1.00   4.81  28.92) =   0.821%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  20.36 +/- 4.63   3.313% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.014%
          HG12  ILE   89 - QE    LYS+ 111  16.40 +/- 3.33   0.551% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - QE    LYS+ 111  21.81 +/- 3.69   0.279% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.76 +/- 3.13   0.173% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  23.30 +/- 3.24   0.183% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.77 +/- 3.48   0.157% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.8:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.37 +/- 0.14  88.169% * 98.3525% (1.00  10.0 10.00   4.97 314.81) =  99.987%  kept
          HG3   PRO   93 - QE    LYS+ 111  10.83 +/- 4.24   5.330% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HB3   MET   92 - QE    LYS+ 111  11.38 +/- 3.59   2.113% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QE    LYS+ 111  11.58 +/- 2.65   2.281% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - QE    LYS+ 111  19.80 +/- 3.54   0.208% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+ 111  18.42 +/- 2.78   0.450% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QE    LYS+ 111  23.42 +/- 3.88   0.118% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.88 +/- 4.62   0.343% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.33 +/- 1.36   0.244% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.02 +/- 3.64   0.318% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.54 +/- 4.46   0.426% *  0.0195% (0.20   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 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 314.8:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.41 +/- 0.13  92.553% * 98.5544% (1.00  10.0 10.00   4.97 314.81) =  99.992%  kept
          HD2   LYS+  74 - QE    LYS+ 111  20.62 +/- 4.58   4.566% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - QE    LYS+ 111  18.42 +/- 2.78   0.540% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - QE    LYS+ 111  24.65 +/- 3.36   0.130% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+ 111  11.89 +/- 1.82   0.998% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+ 111  18.30 +/- 1.30   0.237% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  19.54 +/- 4.46   0.580% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  15.83 +/- 2.20   0.397% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 238.1:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.68 +/- 0.27  86.684% * 98.3538% (1.00  10.0 10.00   6.00 238.20) =  99.979%  kept
        T HB    VAL   42 - HA    LYS+ 112  14.33 +/- 2.72   1.360% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HB3   PRO   93 - HA    LYS+ 112   8.76 +/- 2.42   4.395% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    LYS+ 112  14.14 +/- 2.11   0.783% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 112  12.06 +/- 2.77   3.269% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    LYS+ 112  18.35 +/- 4.23   0.506% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  16.71 +/- 2.34   0.474% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LYS+ 112  14.20 +/- 1.65   0.889% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  23.51 +/- 3.23   0.211% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  17.72 +/- 2.07   0.363% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  25.67 +/- 3.74   0.146% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  16.71 +/- 1.91   0.468% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.02 +/- 2.40   0.321% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  26.80 +/- 4.43   0.129% *  0.0517% (0.53   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 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.2:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.35 +/- 0.55  92.013% * 99.8441% (1.00  10.0 10.00   6.08 238.20) =  99.993%  kept
          QG1   VAL   42 - HA    LYS+ 112  10.63 +/- 1.95   4.771% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   47 - HA    LYS+ 112  11.57 +/- 1.95   3.216% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.2:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.99 +/- 0.72  88.752% * 99.8009% (1.00  10.0 10.00   5.76 238.20) =  99.993%  kept
          HG    LEU   63 - HA    LYS+ 112  12.20 +/- 2.48   3.211% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - HA    LYS+ 112   9.35 +/- 1.38   5.049% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HA    LYS+ 112  19.49 +/- 4.36   2.050% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    LYS+ 112  16.35 +/- 2.78   0.938% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.833, support = 6.2, residual support = 236.6:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.69 +/- 0.27  68.505% * 40.8063% (0.76  10.0 10.00   6.50 238.20) =  68.765%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.31 +/- 0.72  23.196% * 53.3955% (1.00   1.0 10.00   5.54 238.20) =  30.468%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.63 +/- 0.51   5.465% *  5.6860% (0.38   1.0  1.00   5.67  28.92) =   0.764%  kept
          QG2   THR   94 - HA    LYS+ 112   9.86 +/- 1.79   2.358% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 112  21.35 +/- 2.44   0.185% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.75 +/- 2.24   0.291% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 238.1:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.68 +/- 0.27  88.703% * 98.8850% (1.00  10.0 10.00   6.00 238.20) =  99.979%  kept
        T HA    LYS+ 112 - HB    VAL   42  14.33 +/- 2.72   1.395% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.013%
          HB2   HIS  122 - HB    VAL   42  11.08 +/- 5.41   5.175% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HB    THR   46 - HB2   LYS+ 112  13.63 +/- 3.16   3.278% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   46 - HB    VAL   42  12.95 +/- 1.00   0.922% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HB2   LYS+ 112  16.15 +/- 2.51   0.527% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.839, support = 5.38, residual support = 155.5:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.02  61.482% * 40.6012% (0.70  10.0 10.00   4.25  86.33) =  54.447%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.59 +/- 0.27  36.204% * 57.6594% (1.00  10.0 10.00   6.74 238.20) =  45.531%  kept
        T QB    ALA   47 - HB2   LYS+ 112  11.84 +/- 2.74   1.001% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.009%
        T QG1   VAL   42 - HB2   LYS+ 112  12.01 +/- 2.24   0.621% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+ 112 - HB    VAL   42  16.21 +/- 3.68   0.428% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.005%
        T QB    ALA   47 - HB    VAL   42  13.84 +/- 1.48   0.264% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.23 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 = 238.1:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.78 +/- 0.24  77.041% * 98.8037% (1.00  10.0 10.00   5.76 238.20) =  99.971%  kept
        T HG3   LYS+ 112 - HB    VAL   42  15.83 +/- 3.34   1.311% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.014%
          HG    LEU   63 - HB    VAL   42   7.56 +/- 2.60  10.355% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.009%
          HG    LEU   63 - HB2   LYS+ 112  13.31 +/- 2.69   1.660% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HB    VAL   42   9.90 +/- 3.29   3.951% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   LYS+ 112  10.67 +/- 1.76   2.129% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB    VAL   42  12.66 +/- 2.67   1.231% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  11.71 +/- 1.40   1.249% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   LYS+ 112  20.60 +/- 4.42   0.317% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.35 +/- 3.09   0.757% *  0.0246% (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 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.805, support = 7.01, residual support = 237.8:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  82.363% * 40.4563% (0.76  10.0 10.00   7.18 238.20) =  82.246%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.56 +/- 0.57  13.457% * 52.9375% (1.00  10.0 10.00   6.24 238.20) =  17.584%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.45 +/- 0.73   1.183% *  5.5972% (0.38   1.0  1.00   5.63  28.92) =   0.163%  kept
        T HD2   LYS+ 112 - HB    VAL   42  16.61 +/- 3.82   0.237% *  0.4463% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 112 - HB    VAL   42  16.20 +/- 3.00   0.182% *  0.3411% (0.64   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HB    VAL   42   9.06 +/- 1.81   0.923% *  0.0442% (0.84   1.0  1.00   0.02   0.78) =   0.001%
          QG2   THR   94 - HB    VAL   42   8.98 +/- 0.99   0.706% *  0.0357% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112  11.21 +/- 2.33   0.581% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HB2   LYS+ 112  22.72 +/- 3.19   0.049% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  17.53 +/- 2.76   0.108% *  0.0167% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  18.29 +/- 3.81   0.119% *  0.0138% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  18.43 +/- 2.80   0.092% *  0.0163% (0.31   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 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 238.2:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.35 +/- 0.55  92.681% * 99.8459% (1.00  10.0 10.00   6.08 238.20) =  99.995%  kept
          HB    THR   46 - HG2   LYS+ 112  13.79 +/- 3.31   5.872% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HB2   HIS  122 - HG2   LYS+ 112  16.02 +/- 2.81   1.447% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 238.2:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.59 +/- 0.27  91.232% * 98.3538% (1.00  10.0 10.00   6.74 238.20) =  99.984%  kept
        T HB    VAL   42 - HG2   LYS+ 112  16.21 +/- 3.68   1.173% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.012%
          HB3   PRO   93 - HG2   LYS+ 112  10.49 +/- 2.19   2.494% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.42 +/- 3.33   0.653% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG2   LYS+ 112  17.14 +/- 2.83   0.488% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG2   LYS+ 112  19.91 +/- 4.44   0.388% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  25.62 +/- 4.60   0.211% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  14.70 +/- 2.48   0.818% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  13.60 +/- 2.76   1.121% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.58 +/- 2.53   0.327% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  18.52 +/- 3.25   0.500% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.00 +/- 3.89   0.343% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  27.23 +/- 4.90   0.119% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  27.52 +/- 5.40   0.131% *  0.0517% (0.53   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 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 = 238.2:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  98.231% * 99.8009% (1.00  10.0 10.00   6.98 238.20) =  99.999%  kept
          QG2   VAL  108 - HG2   LYS+ 112  11.09 +/- 2.54   0.983% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG2   LYS+ 112  13.23 +/- 2.70   0.364% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  20.56 +/- 4.71   0.162% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.45 +/- 3.80   0.259% *  0.0249% (0.25   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 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.898, support = 6.76, residual support = 237.6:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.66 +/- 0.30  48.638% * 53.0055% (1.00  10.0 10.00   6.57 238.20) =  57.247%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.69 +/- 0.27  47.193% * 40.5083% (0.76  10.0 10.00   7.02 238.20) =  42.450%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.16 +/- 1.11   2.129% *  6.3749% (0.38   1.0  1.00   6.41  28.92) =   0.301%  kept
          QG2   THR   94 - HG2   LYS+ 112  11.58 +/- 2.86   1.711% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   LYS+ 112  22.88 +/- 3.08   0.128% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  18.95 +/- 3.21   0.201% *  0.0164% (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 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.2:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.99 +/- 0.72  84.656% * 99.8459% (1.00  10.0 10.00   5.76 238.20) =  99.988%  kept
          HB    THR   46 - HG3   LYS+ 112  13.32 +/- 3.70  14.266% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.011%
          HB2   HIS  122 - HG3   LYS+ 112  15.93 +/- 2.38   1.078% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 238.1:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.78 +/- 0.24  87.060% * 98.3538% (1.00  10.0 10.00   5.76 238.20) =  99.978%  kept
        T HB    VAL   42 - HG3   LYS+ 112  15.83 +/- 3.34   1.480% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.016%
          HB3   PRO   93 - HG3   LYS+ 112   9.89 +/- 2.53   3.770% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HG3   LYS+ 112  15.79 +/- 2.96   0.873% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   LYS+ 112  17.02 +/- 3.05   0.670% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HG3   LYS+ 112  19.52 +/- 4.45   0.449% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HG3   LYS+ 112  25.05 +/- 4.19   0.390% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  13.14 +/- 3.10   2.361% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  14.66 +/- 2.23   0.974% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  18.03 +/- 2.87   0.775% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  18.23 +/- 2.58   0.395% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  20.47 +/- 3.49   0.480% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  26.95 +/- 4.37   0.167% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  27.37 +/- 5.08   0.156% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 238.2:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  97.149% * 99.8441% (1.00  10.0 10.00   6.98 238.20) =  99.998%  kept
          QB    ALA   47 - HG3   LYS+ 112  11.87 +/- 3.14   1.863% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  11.85 +/- 2.63   0.988% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.79 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 = 0.909, support = 6.14, residual support = 237.6:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.54 +/- 0.18  53.488% * 53.1831% (1.00  10.0 10.00   5.59 238.20) =  61.899%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.76 +/- 0.26  42.741% * 40.6440% (0.76  10.0  1.00   7.03 238.20) =  37.801%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.72 +/- 0.89   2.266% *  6.0611% (0.38   1.0  1.00   6.07  28.92) =   0.299%  kept
          QG2   THR   94 - HG3   LYS+ 112  11.05 +/- 2.61   1.226% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   LYS+ 112  22.60 +/- 2.95   0.099% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  18.53 +/- 3.06   0.180% *  0.0164% (0.31   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 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 238.2:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.31 +/- 0.72  88.391% * 99.8459% (1.00 10.00   5.54 238.20) =  99.991%  kept
          HB    THR   46 - HD2   LYS+ 112  13.80 +/- 3.77   9.205% *  0.0646% (0.65  1.00   0.02   0.02) =   0.007%
          HB2   HIS  122 - HD2   LYS+ 112  16.54 +/- 2.89   2.403% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.09 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 238.1:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.56 +/- 0.57  76.778% * 98.3538% (1.00  10.0 10.00   6.24 238.20) =  99.967%  kept
        T HB    VAL   42 - HD2   LYS+ 112  16.61 +/- 3.82   1.671% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.021%
          HB3   PRO   93 - HD2   LYS+ 112  10.55 +/- 2.65   6.567% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HD2   LYS+ 112  16.91 +/- 3.18   1.535% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HD2   LYS+ 112  20.05 +/- 4.71   0.958% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 112  13.83 +/- 3.33   5.938% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HD2   LYS+ 112  17.30 +/- 3.76   0.953% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HD2   LYS+ 112  26.07 +/- 4.56   0.640% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HD2   LYS+ 112  15.20 +/- 2.50   1.559% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HD2   LYS+ 112  18.41 +/- 2.94   0.857% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HD2   LYS+ 112  18.88 +/- 3.17   1.167% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  27.45 +/- 5.07   0.355% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  21.38 +/- 3.75   0.795% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  27.59 +/- 5.77   0.226% *  0.0517% (0.53   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 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.57, residual support = 238.2:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.66 +/- 0.30  93.230% * 99.8441% (1.00  10.0 10.00   6.57 238.20) =  99.994%  kept
          QG1   VAL   42 - HD2   LYS+ 112  12.54 +/- 2.95   3.377% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   47 - HD2   LYS+ 112  12.06 +/- 3.27   3.393% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.68 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 = 238.2:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.54 +/- 0.18  93.668% * 99.8009% (1.00  10.0 10.00   5.59 238.20) =  99.997%  kept
          QG2   VAL  108 - HD2   LYS+ 112  11.26 +/- 3.03   3.715% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   63 - HD2   LYS+ 112  13.65 +/- 3.00   1.808% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  20.75 +/- 4.63   0.328% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.10 +/- 3.47   0.481% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.05 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   2.41 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.47) = 100.000%  kept
    Distance limit 2.91 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   2.41 +/- 0.14  93.973% * 99.1713% (1.00  10.0 10.00   2.00  14.47) =  99.990%  kept
        T HA    PHE   59 - QB    ASP- 113  10.86 +/- 1.23   1.178% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HA    ILE   56 - QB    ASP- 113   8.91 +/- 1.83   4.157% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - QB    ASP- 113  15.02 +/- 1.19   0.416% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.40 +/- 2.00   0.174% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  24.82 +/- 3.04   0.101% *  0.0681% (0.69   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 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.873, support = 3.83, residual support = 52.3:
    * O T QB    GLU- 114 - HA    GLU- 114   2.28 +/- 0.13  45.681% * 56.4952% (0.97  10.0 10.00   3.56  43.90) =  86.694%  kept
        T QB    GLU- 114 - HA    LEU  115   4.32 +/- 0.39   7.572% * 25.9998% (0.44   1.0 10.00   5.21  21.49) =   6.613%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.61 +/- 0.23  31.405% *  5.3316% (0.09  10.0 10.00   6.33 223.90) =   5.625%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.94 +/- 0.35   2.682% * 11.5850% (0.20   1.0 10.00   4.53  21.49) =   1.044%  kept
          HG3   PRO   58 - HA    LEU  115  10.54 +/- 2.60   4.613% *  0.0958% (0.10   1.0  1.00   0.32   0.02) =   0.015%
          HB2   LYS+ 111 - HA    GLU- 114   5.67 +/- 1.40   4.948% *  0.0425% (0.73   1.0  1.00   0.02   0.11) =   0.007%
          HB2   LYS+ 111 - HA    LEU  115   7.66 +/- 1.40   1.644% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    GLU- 114  13.07 +/- 2.15   0.398% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.69 +/- 4.03   0.083% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  29.21 +/- 5.72   0.069% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.46 +/- 3.54   0.148% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  25.76 +/- 5.27   0.115% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.92 +/- 2.54   0.053% *  0.0540% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.15 +/- 2.28   0.095% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  24.18 +/- 2.46   0.042% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.66 +/- 2.58   0.039% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  21.02 +/- 2.64   0.068% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  22.04 +/- 3.21   0.059% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  21.04 +/- 2.21   0.064% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.75 +/- 2.70   0.098% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  24.92 +/- 3.59   0.045% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  21.14 +/- 3.40   0.078% *  0.0036% (0.06   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.86, support = 3.97, residual support = 38.1:
    * O T QG    GLU- 114 - HA    GLU- 114   3.05 +/- 0.36  54.564% * 68.1764% (1.00  10.0 10.00   3.65  43.90) =  74.333%  kept
        T QG    GLU- 114 - HA    LEU  115   4.12 +/- 1.28  40.935% * 31.3756% (0.46   1.0 10.00   4.88  21.49) =  25.664%  kept
          HG2   MET   92 - HA    GLU- 114  15.42 +/- 2.62   0.712% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU- 114  16.12 +/- 2.76   0.643% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  14.08 +/- 1.73   0.649% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  23.90 +/- 4.04   0.270% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  14.84 +/- 2.37   0.640% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  29.76 +/- 6.39   0.334% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  26.36 +/- 5.95   0.601% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  28.12 +/- 3.65   0.113% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  21.02 +/- 2.52   0.210% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  24.74 +/- 3.63   0.178% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  31.76 +/- 4.07   0.061% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  28.55 +/- 4.00   0.090% *  0.0107% (0.16   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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.932, support = 3.73, residual support = 41.5:
    * O T HA    GLU- 114 - QB    GLU- 114   2.28 +/- 0.13  82.125% * 59.0968% (0.97  10.0 10.00   3.56  43.90) =  89.172%  kept
        T HA    LEU  115 - QB    GLU- 114   4.32 +/- 0.39  14.513% * 40.5940% (0.66   1.0 10.00   5.21  21.49) =  10.825%  kept
        T HA    ARG+  54 - QB    GLU- 114  12.87 +/- 2.49   1.206% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QB    GLU- 114  10.94 +/- 2.02   1.559% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.75 +/- 1.55   0.141% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  21.28 +/- 4.04   0.201% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  20.57 +/- 2.30   0.132% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  24.34 +/- 3.84   0.122% *  0.0494% (0.81   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 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 = 43.9:
    * O T QG    GLU- 114 - QB    GLU- 114   2.09 +/- 0.04  97.448% * 99.1187% (0.96  10.0 10.00   3.92  43.90) =  99.997%  kept
        T HG3   GLU-  25 - QB    GLU- 114  25.80 +/- 5.36   0.209% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QB    GLU- 114  12.30 +/- 2.90   0.974% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QB    GLU- 114  13.30 +/- 2.49   0.959% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - QB    GLU- 114  20.07 +/- 3.80   0.292% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  24.91 +/- 3.01   0.072% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  28.41 +/- 3.48   0.046% *  0.0339% (0.33   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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.892, support = 4.07, residual support = 36.3:
    * O T HA    GLU- 114 - QG    GLU- 114   3.05 +/- 0.36  52.249% * 59.1519% (1.00  10.0 10.00   3.65  43.90) =  66.105%  kept
        T HA    LEU  115 - QG    GLU- 114   4.12 +/- 1.28  38.998% * 40.6319% (0.69   1.0 10.00   4.88  21.49) =  33.892%  kept
          HA    ARG+  54 - QG    GLU- 114  12.51 +/- 2.84   4.210% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QG    GLU- 114  10.57 +/- 2.23   3.650% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG    GLU- 114  19.52 +/- 1.63   0.222% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  20.40 +/- 2.64   0.256% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.00 +/- 3.87   0.262% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.04 +/- 3.70   0.153% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.952, support = 3.89, residual support = 43.1:
    * O T QB    GLU- 114 - QG    GLU- 114   2.09 +/- 0.04  59.983% * 90.7737% (0.96  10.0 10.00   3.92  43.90) =  97.608%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.59 +/- 1.35  26.622% *  3.0318% (0.72   1.0  1.00   0.89   0.11) =   1.447%  kept
          HB2   LEU  115 - QG    GLU- 114   4.56 +/- 1.14  10.701% *  4.9133% (0.20   1.0  1.00   5.28  21.49) =   0.943%  kept
        T HB3   GLU-  25 - QG    GLU- 114  25.00 +/- 4.47   0.060% *  0.8898% (0.94   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  11.67 +/- 2.54   2.145% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLU- 114  18.80 +/- 3.45   0.114% *  0.0816% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  19.97 +/- 2.24   0.083% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  21.59 +/- 3.04   0.071% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.98 +/- 2.81   0.064% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.98 +/- 2.90   0.085% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  21.55 +/- 3.14   0.072% *  0.0127% (0.14   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 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 = 0.65, support = 5.81, residual support = 187.1:
    * O T HB2   LEU  115 - HA    LEU  115   2.61 +/- 0.23  24.537% * 53.2682% (0.84  10.0 10.00   6.33 223.90) =  73.166%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.66 +/- 0.23  22.866% *  8.3039% (0.13  10.0  1.00   4.76 167.85) =  10.629%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.28 +/- 0.13  35.326% *  4.4984% (0.07  10.0 10.00   3.56  43.90) =   8.896%  kept
        T QB    GLU- 114 - HA    LEU  115   4.32 +/- 0.39   5.862% * 16.4411% (0.26   1.0 10.00   5.21  21.49) =   5.395%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.94 +/- 0.35   2.071% * 14.5745% (0.23   1.0 10.00   4.53  21.49) =   1.689%  kept
          HG3   PRO   58 - HA    LEU  115  10.54 +/- 2.60   3.530% *  0.8486% (0.83   1.0  1.00   0.32   0.02) =   0.168%  kept
        T HB2   LEU  115 - HA    ARG+  54  10.58 +/- 1.81   0.503% *  1.6998% (0.47   1.0 10.00   0.11   0.02) =   0.048%
          HG3   PRO   58 - HA    ARG+  54   6.55 +/- 1.74   2.788% *  0.0298% (0.47   1.0  1.00   0.02   0.02) =   0.005%
        T QB    GLU- 114 - HA    ARG+  54  12.87 +/- 2.49   0.468% *  0.0922% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HA    LEU  115  14.16 +/- 2.74   0.445% *  0.0148% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  14.88 +/- 2.11   0.146% *  0.0427% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.07 +/- 2.15   0.309% *  0.0145% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  16.08 +/- 2.27   0.127% *  0.0239% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  18.32 +/- 3.46   0.103% *  0.0280% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.46 +/- 3.54   0.116% *  0.0239% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.15 +/- 2.28   0.074% *  0.0200% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  19.06 +/- 5.44   0.093% *  0.0157% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.48 +/- 2.92   0.278% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  18.89 +/- 2.77   0.076% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  18.64 +/- 2.44   0.072% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  20.91 +/- 2.77   0.052% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.69 +/- 4.03   0.065% *  0.0065% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  21.93 +/- 3.44   0.051% *  0.0077% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  22.92 +/- 2.54   0.041% *  0.0055% (0.09   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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.494, support = 6.26, residual support = 216.8:
    * O T HG    LEU  115 - HA    LEU  115   3.57 +/- 0.45  21.946% * 55.8446% (0.72  10.0 10.00   6.18 223.90) =  51.268%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.44 +/- 0.24  54.421% * 19.8706% (0.26  10.0 10.00   6.54 223.90) =  45.237%  kept
        T HG    LEU  115 - HA    GLU- 114   6.11 +/- 1.00   4.088% * 15.2794% (0.20   1.0 10.00   4.05  21.49) =   2.613%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.34 +/- 0.35   3.439% *  5.4367% (0.07   1.0 10.00   3.85  21.49) =   0.782%  kept
        T HB3   LEU  115 - HA    ARG+  54  10.90 +/- 2.02   0.880% *  0.7753% (0.14   1.0 10.00   0.14   0.02) =   0.029%
        T HB3   LEU   40 - HA    LEU  115  14.47 +/- 3.36   0.753% *  0.6381% (0.83   1.0 10.00   0.02   0.02) =   0.020%
        T HG    LEU   40 - HA    LEU  115  12.89 +/- 3.16   1.930% *  0.1987% (0.26   1.0 10.00   0.02   0.02) =   0.016%
        T HG    LEU  115 - HA    ARG+  54  10.58 +/- 2.30   1.131% *  0.3131% (0.41   1.0 10.00   0.02   0.02) =   0.015%
          QB    ALA  120 - HA    LEU  115   7.50 +/- 0.60   1.986% *  0.0558% (0.72   1.0  1.00   0.02   0.02) =   0.005%
        T HG    LEU   67 - HA    LEU  115  15.43 +/- 2.31   0.274% *  0.2647% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU   40 - HA    ARG+  54  19.98 +/- 2.65   0.136% *  0.3578% (0.46   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU   40 - HA    GLU- 114  17.76 +/- 3.15   0.259% *  0.1746% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   26 - HA    LEU  115  19.40 +/- 3.32   0.164% *  0.2196% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HA    GLU- 114   7.76 +/- 0.67   1.871% *  0.0153% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HA    ARG+  54  16.55 +/- 2.04   0.192% *  0.1484% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   8.56 +/- 1.15   1.506% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    GLU- 114  16.32 +/- 2.89   0.339% *  0.0544% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    ARG+  54  18.62 +/- 2.63   0.156% *  0.1114% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    ARG+  54  14.71 +/- 1.56   0.286% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  10.18 +/- 2.21   1.991% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  12.69 +/- 3.44   0.753% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  17.64 +/- 2.57   0.172% *  0.0390% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  15.41 +/- 2.33   0.302% *  0.0219% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  22.54 +/- 3.63   0.099% *  0.0601% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.63 +/- 1.83   0.242% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  20.29 +/- 3.03   0.137% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  18.06 +/- 2.17   0.167% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.56 +/- 3.02   0.096% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  19.15 +/- 2.67   0.138% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.26 +/- 2.57   0.144% *  0.0049% (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 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.79, support = 6.16, residual support = 208.3:
    *   T QD1   LEU  115 - HA    LEU  115   3.73 +/- 0.47  64.603% * 75.7058% (0.84 10.00   6.33 223.90) =  92.341%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.10 +/- 0.71  18.120% * 20.7135% (0.23 10.00   4.44  21.49) =   7.086%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.09 +/- 1.46   8.683% *  3.4493% (0.47 10.00   0.16   0.02) =   0.565%  kept
          QG1   VAL   75 - HA    LEU  115  12.12 +/- 2.19   2.553% *  0.0716% (0.79  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    ARG+  54  11.16 +/- 2.17   4.230% *  0.0402% (0.44  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    GLU- 114  14.85 +/- 2.69   1.811% *  0.0196% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.765, support = 7.25, residual support = 208.9:
    *   T QD2   LEU  115 - HA    LEU  115   3.19 +/- 0.59  50.625% * 73.8539% (0.81 10.00   7.50 223.90) =  92.673%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.48 +/- 0.65  13.507% * 20.2068% (0.22 10.00   4.46  21.49) =   6.765%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.81 +/- 1.43   3.518% *  4.7963% (0.45 10.00   0.23   0.02) =   0.418%  kept
          QD1   LEU   63 - HA    LEU  115   7.63 +/- 2.33   8.077% *  0.6137% (0.79  1.00   0.17   0.02) =   0.123%  kept
          QD1   LEU   73 - HA    LEU  115  14.00 +/- 3.98   2.395% *  0.0724% (0.79  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HA    LEU  115   8.85 +/- 2.02   5.669% *  0.0287% (0.31  1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - HA    LEU  115  12.40 +/- 2.86   2.010% *  0.0585% (0.64  1.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HA    ARG+  54  10.36 +/- 1.77   2.424% *  0.0406% (0.44  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    ARG+  54  14.80 +/- 3.55   1.254% *  0.0406% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114  10.88 +/- 2.60   2.336% *  0.0198% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    ARG+  54  11.10 +/- 1.50   1.714% *  0.0161% (0.18  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  115  18.20 +/- 2.54   0.372% *  0.0724% (0.79  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  16.80 +/- 2.22   0.472% *  0.0406% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.80 +/- 2.36   0.938% *  0.0160% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  17.29 +/- 3.96   0.712% *  0.0198% (0.22  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  11.92 +/- 2.50   1.751% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  19.02 +/- 3.03   0.414% *  0.0328% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.48 +/- 3.48   0.507% *  0.0198% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  17.38 +/- 2.48   0.369% *  0.0236% (0.26  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  16.17 +/- 2.12   0.606% *  0.0132% (0.14  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.41 +/- 3.10   0.329% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.817, support = 6.26, residual support = 216.4:
    * O T HA    LEU  115 - HB2   LEU  115   2.61 +/- 0.23  88.111% * 70.2377% (0.84  10.0 10.00   6.33 223.90) =  96.284%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.94 +/- 0.35   8.271% * 28.6837% (0.34   1.0 10.00   4.53  21.49) =   3.691%  kept
        T HA    ARG+  54 - HB2   LEU  115  10.58 +/- 1.81   2.001% *  0.7762% (0.92   1.0 10.00   0.02   0.02) =   0.024%
          HA    ALA  124 - HB2   LEU  115  15.44 +/- 1.27   0.511% *  0.0702% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HB2   LEU  115  21.52 +/- 4.24   0.312% *  0.0729% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  20.59 +/- 3.25   0.282% *  0.0578% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.02 +/- 2.00   0.162% *  0.0409% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  21.74 +/- 2.40   0.183% *  0.0346% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  25.31 +/- 4.30   0.168% *  0.0260% (0.31   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 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 = 0.562, support = 6.16, residual support = 223.9:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  75.186% * 25.8976% (0.31  10.0 10.00   6.22 223.90) =  54.557%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.69 +/- 0.24  22.276% * 72.7830% (0.87  10.0 10.00   6.08 223.90) =  45.427%  kept
        T HB3   LEU   40 - HB2   LEU  115  15.40 +/- 3.56   0.453% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.011%
        T HG    LEU   40 - HB2   LEU  115  13.83 +/- 3.26   0.455% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - HB2   LEU  115   8.66 +/- 0.94   0.781% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HB2   LEU  115  10.46 +/- 1.08   0.396% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.46 +/- 2.31   0.144% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  17.01 +/- 2.29   0.095% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  14.79 +/- 1.58   0.142% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  19.52 +/- 2.92   0.073% *  0.0286% (0.34   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 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 223.9:
    * O T QD1   LEU  115 - HB2   LEU  115   2.41 +/- 0.28  98.806% * 99.9055% (1.00  10.0 10.00   6.12 223.90) =  99.999%  kept
          QG1   VAL   75 - HB2   LEU  115  11.52 +/- 2.09   1.194% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.964, support = 7.28, residual support = 223.7:
    * O T QD2   LEU  115 - HB2   LEU  115   2.84 +/- 0.45  80.303% * 98.8367% (0.97  10.0 10.00   7.28 223.90) =  99.908%  kept
          QD1   LEU   63 - HB2   LEU  115   7.53 +/- 2.30   7.983% *  0.8212% (0.95   1.0  1.00   0.17   0.02) =   0.083%
          QD1   LEU   73 - HB2   LEU  115  13.94 +/- 3.74   3.279% *  0.0969% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU  115   8.73 +/- 2.06   5.899% *  0.0384% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   LEU  115  13.61 +/- 2.88   1.396% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  17.56 +/- 2.37   0.578% *  0.0969% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  16.67 +/- 2.06   0.562% *  0.0316% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.684, support = 5.98, residual support = 204.9:
    * O T HA    LEU  115 - HG    LEU  115   3.57 +/- 0.45  58.185% * 69.7478% (0.72  10.0 10.00   6.18 223.90) =  90.647%  kept
        T HA    GLU- 114 - HG    LEU  115   6.11 +/- 1.00  14.515% * 28.4836% (0.30   1.0 10.00   4.05  21.49) =   9.235%  kept
        T HA    ARG+  54 - HG    LEU  115  10.58 +/- 2.30   4.898% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.084%
        T HA    LEU  115 - HG    LEU   40  12.89 +/- 3.16   3.737% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.020%
        T HA    ARG+  54 - HG    LEU   40  18.62 +/- 2.63   0.595% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HG    LEU   40   8.93 +/- 1.16   5.317% *  0.0195% (0.20   1.0  1.00   0.02   0.50) =   0.002%
        T HA    GLU- 114 - HG    LEU   40  16.32 +/- 2.89   0.862% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG    LEU  115  15.57 +/- 1.44   0.842% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU   40  14.53 +/- 2.70   2.334% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  13.07 +/- 5.93   3.500% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  22.04 +/- 4.51   0.536% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  15.96 +/- 5.36   1.505% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG    LEU  115  21.20 +/- 3.39   0.399% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - HG    LEU   40  12.99 +/- 1.62   1.649% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  22.02 +/- 2.26   0.320% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.74 +/- 2.02   0.251% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  25.97 +/- 4.21   0.215% *  0.0258% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.83 +/- 3.52   0.340% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.859, support = 6.06, residual support = 221.1:
    * O T HB2   LEU  115 - HG    LEU  115   2.69 +/- 0.24  63.511% * 92.1223% (0.87  10.0 10.00   6.08 223.90) =  98.603%  kept
          QB    GLU- 114 - HG    LEU  115   5.33 +/- 0.98  12.830% *  6.2429% (0.27   1.0  1.00   4.39  21.49) =   1.350%  kept
        T HB2   LEU   67 - HG    LEU   40   8.09 +/- 1.46   3.767% *  0.2505% (0.24   1.0 10.00   0.02   0.02) =   0.016%
          HG3   PRO   58 - HG    LEU  115   9.00 +/- 2.63   8.273% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.013%
        T HB2   LEU  115 - HG    LEU   40  13.83 +/- 3.26   1.817% *  0.3129% (0.29   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   LEU   67 - HG    LEU  115  15.28 +/- 2.36   0.473% *  0.7377% (0.69   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL   18 - HG    LEU   40  12.46 +/- 4.29   2.873% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HG    LEU  115  12.32 +/- 2.35   0.896% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  17.58 +/- 2.50   0.671% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  11.04 +/- 1.95   1.328% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  18.52 +/- 4.10   0.352% *  0.0485% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.49 +/- 2.40   1.427% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.96 +/- 3.67   0.366% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.74 +/- 2.84   0.273% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  14.45 +/- 2.22   0.945% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  20.80 +/- 2.76   0.199% *  0.0087% (0.08   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 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.98, residual support = 223.9:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  94.326% * 99.5358% (0.87  10.0 10.00   5.98 223.90) =  99.991%  kept
        T QD1   LEU  115 - HG    LEU   40  12.17 +/- 3.19   2.133% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   75 - HG    LEU   40  11.00 +/- 2.07   2.746% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU  115  12.01 +/- 2.34   0.795% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.63 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 = 7.1, residual support = 223.9:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  76.501% * 99.0740% (0.84  10.0 10.00   7.10 223.90) =  99.985%  kept
        T QD2   LEU  115 - HG    LEU   40  11.98 +/- 2.76   0.857% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU   63 - HG    LEU  115   8.03 +/- 2.07   2.402% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HG    LEU   40   7.03 +/- 1.71   4.797% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HG    LEU   40   8.11 +/- 3.93   5.572% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HG    LEU  115  14.42 +/- 4.07   0.670% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   9.14 +/- 1.97   1.641% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG    LEU   40   9.79 +/- 2.40   1.901% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   6.91 +/- 1.89   4.404% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG    LEU  115  14.09 +/- 2.85   0.362% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  17.87 +/- 2.29   0.157% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  16.48 +/- 3.32   0.243% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  16.95 +/- 2.41   0.194% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  17.06 +/- 4.15   0.299% *  0.0108% (0.09   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 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.786, support = 6.07, residual support = 200.9:
    *   T HA    LEU  115 - QD1   LEU  115   3.73 +/- 0.47  66.270% * 66.5559% (0.84 10.00   6.33 223.90) =  88.754%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.10 +/- 0.71  18.588% * 27.1802% (0.34 10.00   4.44  21.49) =  10.166%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.09 +/- 1.46   8.922% *  5.9774% (0.92 10.00   0.16   0.02) =   1.073%  kept
          HA    ALA  124 - QD1   LEU  115  13.78 +/- 1.12   1.535% *  0.0666% (0.84  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD1   LEU  115  17.92 +/- 3.46   1.383% *  0.0691% (0.87  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QD1   LEU  115  17.50 +/- 3.11   1.304% *  0.0547% (0.69  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  17.58 +/- 1.68   0.821% *  0.0328% (0.41  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  18.91 +/- 1.97   0.575% *  0.0388% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  21.60 +/- 3.71   0.605% *  0.0246% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 220.8:
    * O T HB2   LEU  115 - QD1   LEU  115   2.41 +/- 0.28  74.721% * 90.1438% (1.00  10.0 10.00   6.12 223.90) =  98.526%  kept
          QB    GLU- 114 - QD1   LEU  115   5.08 +/- 0.69  10.260% *  7.1061% (0.31   1.0  1.00   5.11  21.49) =   1.066%  kept
          HG3   PRO   58 - QD1   LEU  115   6.97 +/- 2.34  10.940% *  2.5311% (1.00   1.0  1.00   0.56   0.02) =   0.405%  kept
          HB2   LEU   67 - QD1   LEU  115  12.45 +/- 2.59   0.855% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.57 +/- 1.55   1.620% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   LEU  115  15.11 +/- 3.76   0.627% *  0.0474% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  14.94 +/- 2.99   0.481% *  0.0404% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.10 +/- 2.74   0.496% *  0.0338% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.761, support = 6.05, residual support = 223.9:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  57.339% * 72.7830% (0.87  10.0 10.00   5.98 223.90) =  80.926%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.51 +/- 0.40  37.946% * 25.8976% (0.31  10.0 10.00   6.34 223.90) =  19.056%  kept
        T HB3   LEU   40 - QD1   LEU  115  13.46 +/- 3.25   0.583% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.009%
        T HG    LEU   40 - QD1   LEU  115  12.17 +/- 3.19   1.154% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA  120 - QD1   LEU  115   8.11 +/- 0.82   1.118% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD1   LEU  115  13.86 +/- 2.60   0.264% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.82 +/- 1.95   0.491% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  13.00 +/- 2.52   0.330% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.94 +/- 0.90   0.597% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.13 +/- 2.86   0.178% *  0.0286% (0.34   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 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 = 0.964, support = 7.29, residual support = 223.8:
    * O T QD2   LEU  115 - QD1   LEU  115   2.04 +/- 0.06  87.208% * 98.8367% (0.97  10.0 10.00   7.29 223.90) =  99.940%  kept
          QD1   LEU   63 - QD1   LEU  115   6.50 +/- 2.03   5.781% *  0.8212% (0.95   1.0  1.00   0.17   0.02) =   0.055%
          QD1   LEU   73 - QD1   LEU  115  11.54 +/- 3.32   1.694% *  0.0969% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QD1   LEU  115   7.44 +/- 2.08   3.948% *  0.0384% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QD1   LEU  115  11.95 +/- 2.62   0.683% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD1   LEU  115  14.30 +/- 1.69   0.301% *  0.0969% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  13.54 +/- 1.76   0.385% *  0.0316% (0.31   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 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.76, support = 7.14, residual support = 202.2:
    *   T HA    LEU  115 - QD2   LEU  115   3.19 +/- 0.59  71.124% * 64.9056% (0.81 10.00   7.50 223.90) =  89.388%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.48 +/- 0.65  19.116% * 26.5062% (0.33 10.00   4.46  21.49) =   9.812%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.81 +/- 1.43   4.941% *  8.3088% (0.89 10.00   0.23   0.02) =   0.795%  kept
          HA    ALA  124 - QD2   LEU  115  11.88 +/- 1.36   1.848% *  0.0649% (0.81  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - QD2   LEU  115  18.36 +/- 3.98   1.054% *  0.0674% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD2   LEU  115  17.55 +/- 2.75   0.702% *  0.0534% (0.66  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD2   LEU  115  18.99 +/- 1.85   0.402% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  18.99 +/- 1.59   0.403% *  0.0319% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  21.52 +/- 3.39   0.410% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.953, support = 7.21, residual support = 219.1:
    * O T HB2   LEU  115 - QD2   LEU  115   2.84 +/- 0.45  66.335% * 90.3087% (0.97  10.0 10.00   7.28 223.90) =  97.695%  kept
          QB    GLU- 114 - QD2   LEU  115   5.13 +/- 0.79  15.657% *  7.0570% (0.30   1.0  1.00   5.06  21.49) =   1.802%  kept
          HG3   PRO   58 - QD2   LEU  115   6.85 +/- 1.91  12.674% *  2.4150% (0.96   1.0  1.00   0.54   0.02) =   0.499%  kept
          HB2   LEU   67 - QD2   LEU  115  12.40 +/- 1.92   1.293% *  0.0723% (0.77   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD2   LEU  115  10.25 +/- 1.60   1.920% *  0.0251% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  14.44 +/- 2.83   0.943% *  0.0405% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  15.09 +/- 2.87   0.643% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.28 +/- 2.02   0.534% *  0.0339% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.75, support = 7.15, residual support = 223.4:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  61.207% * 69.8759% (0.84  10.0 10.00   7.10 223.90) =  83.753%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.70 +/- 0.39  32.954% * 24.8632% (0.30  10.0 10.00   7.47 223.90) =  16.045%  kept
          QB    ALA  120 - QD2   LEU  115   6.49 +/- 0.86   2.346% *  4.0641% (0.84   1.0  1.00   1.16   0.02) =   0.187%  kept
        T HB3   LEU   40 - QD2   LEU  115  13.16 +/- 2.90   0.678% *  0.7984% (0.96   1.0 10.00   0.02   0.02) =   0.011%
        T HG    LEU   40 - QD2   LEU  115  11.98 +/- 2.76   0.735% *  0.2486% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - QD2   LEU  115   8.67 +/- 0.81   0.947% *  0.0179% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  12.93 +/- 1.93   0.335% *  0.0331% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  14.57 +/- 1.94   0.216% *  0.0489% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.91 +/- 1.64   0.390% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.46 +/- 2.89   0.191% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.29, residual support = 223.9:
    * O T QD1   LEU  115 - QD2   LEU  115   2.04 +/- 0.06  98.970% * 99.9055% (0.97  10.0 10.00   7.29 223.90) =  99.999%  kept
          QG1   VAL   75 - QD2   LEU  115  10.33 +/- 1.69   1.030% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.55 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 = 5.16, residual support = 120.4:
    * O T HB2   GLN  116 - HA    GLN  116   2.77 +/- 0.16  87.175% * 98.6426% (1.00  10.0 10.00   5.16 120.41) =  99.989%  kept
          HB2   PRO   58 - HA    GLN  116   8.73 +/- 1.90  11.156% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.007%
        T HB2   GLU- 100 - HA    GLN  116  24.19 +/- 2.87   0.157% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  13.70 +/- 3.33   1.089% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  23.75 +/- 4.45   0.227% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLN  116  21.96 +/- 2.23   0.195% *  0.0442% (0.45   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 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 120.4:
    * O T HG2   GLN  116 - HA    GLN  116   2.82 +/- 0.65  95.775% * 99.8732% (1.00  10.0 10.00   5.14 120.41) =  99.996%  kept
          HB3   PHE   95 - HA    GLN  116   9.79 +/- 1.79   3.435% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  25 - HA    GLN  116  27.76 +/- 6.45   0.790% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 120.4:
    * O T HA    GLN  116 - HB2   GLN  116   2.77 +/- 0.16  97.753% * 98.1197% (1.00  10.0 10.00   5.16 120.41) =  99.996%  kept
        T HA    LYS+  33 - HB2   GLN  116  27.24 +/- 4.04   0.135% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   GLN  116  27.74 +/- 4.82   0.154% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  18.18 +/- 3.77   0.646% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLN  116  20.71 +/- 3.23   0.303% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  19.33 +/- 3.73   0.454% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  24.43 +/- 4.38   0.209% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  27.36 +/- 2.48   0.114% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  22.95 +/- 4.27   0.233% *  0.0194% (0.20   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 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 = 5.68, residual support = 120.4:
    * O T HG2   GLN  116 - HB2   GLN  116   2.66 +/- 0.22  98.046% * 99.8732% (1.00  10.0 10.00   5.68 120.41) =  99.998%  kept
          HB3   PHE   95 - HB2   GLN  116  10.93 +/- 1.54   1.715% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  25 - HB2   GLN  116  29.46 +/- 6.34   0.239% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 120.4:
    * O T HA    GLN  116 - HG2   GLN  116   2.82 +/- 0.65  96.973% * 99.5202% (1.00  10.0 10.00   5.14 120.41) =  99.998%  kept
          HA    VAL   70 - HG2   GLN  116  17.60 +/- 4.11   0.673% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLN  116  20.15 +/- 3.20   0.399% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  27.56 +/- 4.78   0.269% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  23.92 +/- 4.12   0.400% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  26.84 +/- 4.01   0.224% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  19.62 +/- 3.82   0.580% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  27.80 +/- 2.73   0.172% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  22.26 +/- 4.04   0.309% *  0.0197% (0.20   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 120.4:
    * O T HB2   GLN  116 - HG2   GLN  116   2.66 +/- 0.22  92.261% * 99.6852% (1.00  10.0 10.00   5.68 120.41) =  99.995%  kept
          HB2   PRO   58 - HG2   GLN  116   9.08 +/- 2.60   6.534% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   97 - HG2   GLN  116  15.15 +/- 2.46   0.727% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG2   GLN  116  25.66 +/- 2.24   0.122% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  22.84 +/- 3.01   0.200% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  25.38 +/- 4.23   0.156% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 1.28, residual support = 15.4:
    * O T QB    SER  117 - HA    SER  117   2.43 +/- 0.10  87.191% * 93.1266% (1.00  10.0 10.00   1.28  15.42) =  99.656%  kept
          HA    ALA  120 - HA    SER  117   6.12 +/- 0.44   5.999% *  2.8714% (0.41   1.0  1.00   1.50   5.14) =   0.211%  kept
          HA    LYS+ 121 - HA    SER  117   7.12 +/- 0.94   4.566% *  2.2786% (0.84   1.0  1.00   0.59   0.02) =   0.128%  kept
        T HA2   GLY   51 - HA    SER  117  20.91 +/- 2.74   0.212% *  0.8352% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER   48 - HA    SER  117  20.95 +/- 3.40   0.210% *  0.6024% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HA    SER  117  12.37 +/- 1.88   1.317% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER  117  16.93 +/- 1.07   0.276% *  0.0712% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  26.59 +/- 3.00   0.084% *  0.1437% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  23.06 +/- 3.82   0.146% *  0.0144% (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 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.28, residual support = 15.4:
    * O T HA    SER  117 - QB    SER  117   2.43 +/- 0.10  79.791% * 99.1287% (1.00  10.0 10.00   1.28  15.42) =  99.992%  kept
          HA    ASP-  62 - QB    SER  117  13.79 +/- 2.33   3.341% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  62 - QB    SER   48  15.50 +/- 6.07   6.677% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER   48   8.33 +/- 0.73   2.157% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    SER   48  11.72 +/- 3.85   5.221% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER  117  18.38 +/- 2.80   0.328% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER  117 - QB    SER   48  20.95 +/- 3.40   0.188% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QB    SER  117  12.55 +/- 1.58   0.867% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  23.65 +/- 5.05   0.221% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  26.59 +/- 3.00   0.077% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.40 +/- 3.75   0.309% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  22.57 +/- 7.06   0.333% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  22.31 +/- 4.19   0.141% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.07 +/- 3.22   0.233% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  22.79 +/- 2.74   0.117% *  0.0087% (0.09   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 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 = 272.1:
    * O T HB    ILE  119 - HA    ILE  119   2.90 +/- 0.14  90.959% * 99.2403% (0.87  10.0 10.00   6.96 272.16) =  99.993%  kept
          HB3   PRO   68 - HA    ILE  119  14.87 +/- 4.56   1.747% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HA    ILE  119  15.19 +/- 3.60   1.057% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  13.43 +/- 1.76   1.057% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    ILE  119  19.71 +/- 3.88   0.484% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    ILE  119  18.75 +/- 3.73   0.518% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    ILE  119  15.87 +/- 1.90   0.750% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    ILE  119  13.67 +/- 1.89   1.082% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  22.01 +/- 5.29   0.298% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  25.40 +/- 6.16   0.955% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  17.85 +/- 3.06   0.548% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  17.83 +/- 2.93   0.544% *  0.0470% (0.41   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 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 7.04, residual support = 272.1:
    * O T QG2   ILE  119 - HA    ILE  119   2.63 +/- 0.33  83.426% * 99.7168% (1.00  10.0 10.00   7.04 272.16) =  99.993%  kept
          QD2   LEU   71 - HA    ILE  119  11.78 +/- 3.50   2.752% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HA    ILE  119   9.18 +/- 4.04   7.215% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    ILE  119  15.05 +/- 4.01   0.892% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  119  10.28 +/- 2.88   3.977% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    ILE  119  13.34 +/- 3.83   1.359% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  17.78 +/- 2.64   0.379% *  0.0374% (0.38   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 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.22, residual support = 272.1:
    * O T HG12  ILE  119 - HA    ILE  119   2.64 +/- 0.59  91.073% * 99.4466% (1.00  10.0 10.00   7.22 272.16) =  99.995%  kept
          HB3   PHE   72 - HA    ILE  119  12.57 +/- 3.53   1.659% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    ILE  119  12.27 +/- 2.82   1.570% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ILE  119  11.99 +/- 5.57   3.167% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ILE  119  17.59 +/- 1.89   0.589% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  18.47 +/- 3.39   0.611% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  23.03 +/- 5.04   0.307% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  19.88 +/- 2.66   0.331% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  22.24 +/- 1.63   0.222% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  20.62 +/- 2.64   0.306% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  25.32 +/- 4.28   0.165% *  0.0153% (0.15   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 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 6.94, residual support = 268.8:
    * O T HG13  ILE  119 - HA    ILE  119   3.10 +/- 0.47  57.307% * 94.2870% (1.00  10.0 10.00   6.99 272.16) =  98.743%  kept
          HG2   LYS+ 121 - HA    ILE  119   6.61 +/- 0.95  11.490% *  4.8004% (0.31   1.0  1.00   3.30   7.30) =   1.008%  kept
          QG1   VAL  107 - HA    ILE  119   7.69 +/- 3.82  20.408% *  0.6508% (0.15   1.0  1.00   0.89   0.02) =   0.243%  kept
          QG2   VAL  107 - HA    ILE  119   8.27 +/- 2.79   6.212% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HA    ILE  119  19.11 +/- 5.54   2.098% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    ILE  119  11.94 +/- 1.99   1.334% *  0.0496% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ILE  119  19.32 +/- 4.91   0.574% *  0.0941% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    ILE  119  16.25 +/- 2.81   0.578% *  0.0648% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 6.13, residual support = 272.1:
    *   T QD1   ILE  119 - HA    ILE  119   3.25 +/- 0.59  92.358% * 99.2846% (0.97 10.00   6.14 272.16) =  99.987%  kept
        T HB    VAL   75 - HA    ILE  119  15.17 +/- 2.61   1.356% *  0.5824% (0.57 10.00   0.02   0.02) =   0.009%
          HB2   LEU  104 - HA    ILE  119  13.86 +/- 5.72   2.901% *  0.0747% (0.73  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    ILE  119  12.87 +/- 3.10   3.385% *  0.0582% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 3.37 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.87, residual support = 247.4:
    * O T HA    ILE  119 - HB    ILE  119   2.90 +/- 0.14  85.623% * 50.8167% (0.87  10.0 10.00   6.96 272.16) =  87.788%  kept
        T HA    THR  118 - HB    ILE  119   5.62 +/- 0.36  12.340% * 49.0416% (0.84   1.0 10.00   6.21  69.70) =  12.210%  kept
          HA2   GLY  109 - HB    ILE  119  13.84 +/- 2.62   1.237% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  20.99 +/- 2.21   0.261% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  24.47 +/- 2.12   0.150% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  18.34 +/- 2.46   0.389% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.64, residual support = 272.2:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.02  93.147% * 99.7168% (0.87  10.0 10.00   6.64 272.16) =  99.998%  kept
          QD2   LEU   71 - HB    ILE  119  13.31 +/- 3.42   0.851% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB    ILE  119  11.48 +/- 3.02   3.400% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HB    ILE  119  10.86 +/- 3.62   1.698% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.83 +/- 3.30   0.303% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  14.07 +/- 2.95   0.432% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.66 +/- 2.87   0.169% *  0.0374% (0.33   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 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.96, residual support = 272.2:
    * O T HG12  ILE  119 - HB    ILE  119   2.63 +/- 0.24  93.602% * 99.4466% (0.87  10.0 10.00   6.96 272.16) =  99.996%  kept
          HB3   PHE   72 - HB    ILE  119  14.31 +/- 3.36   1.594% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB    ILE  119  12.83 +/- 2.35   1.164% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  12.59 +/- 4.56   1.858% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HB    ILE  119  16.89 +/- 1.92   0.419% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  20.14 +/- 3.32   0.343% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  21.51 +/- 2.87   0.263% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  24.83 +/- 4.86   0.210% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  21.81 +/- 1.43   0.187% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  21.14 +/- 2.54   0.222% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  26.84 +/- 4.46   0.138% *  0.0153% (0.13   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 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.861, support = 6.53, residual support = 269.8:
    * O T HG13  ILE  119 - HB    ILE  119   2.61 +/- 0.33  78.231% * 92.8302% (0.87  10.0 10.00   6.57 272.16) =  99.147%  kept
        T QG1   VAL  107 - HB    ILE  119   7.48 +/- 3.23   9.096% *  6.7545% (0.13   1.0 10.00   0.94   0.02) =   0.839%  kept
        T QG2   VAL  107 - HB    ILE  119   7.84 +/- 2.29   4.686% *  0.1432% (0.13   1.0 10.00   0.02   0.02) =   0.009%
          HD3   LYS+ 112 - HB    ILE  119   9.95 +/- 2.39   3.235% *  0.0488% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HB    ILE  119   8.28 +/- 0.86   2.877% *  0.0287% (0.27   1.0  1.00   0.02   7.30) =   0.001%
          QG1   VAL   24 - HB    ILE  119  20.12 +/- 5.40   1.124% *  0.0382% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB    ILE  119  17.31 +/- 2.94   0.460% *  0.0638% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  21.06 +/- 4.55   0.291% *  0.0926% (0.87   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.82, residual support = 272.1:
    * O T QD1   ILE  119 - HB    ILE  119   2.70 +/- 0.39  96.362% * 99.2846% (0.84  10.0 10.00   5.82 272.16) =  99.989%  kept
        T QG2   VAL  108 - HB    ILE  119  12.68 +/- 2.40   1.539% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU  104 - HB    ILE  119  15.08 +/- 4.57   1.429% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  15.99 +/- 2.41   0.670% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.99, residual support = 251.9:
    * O T HA    ILE  119 - QG2   ILE  119   2.63 +/- 0.33  87.663% * 50.8167% (1.00  10.0 10.00   7.04 272.16) =  89.981%  kept
        T HA    THR  118 - QG2   ILE  119   5.74 +/- 0.29  10.113% * 49.0416% (0.97   1.0 10.00   6.56  69.70) =  10.018%  kept
          HA2   GLY  109 - QG2   ILE  119  12.86 +/- 2.68   1.189% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   ILE  119  17.80 +/- 2.61   0.317% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  21.12 +/- 2.00   0.195% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  15.61 +/- 2.00   0.523% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.64, residual support = 272.2:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.02  94.001% * 99.2403% (0.87  10.0 10.00   6.64 272.16) =  99.996%  kept
          HB3   PRO   68 - QG2   ILE  119  12.64 +/- 4.39   1.226% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   ILE  119  12.47 +/- 1.75   0.803% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QG2   ILE  119  17.76 +/- 3.38   0.399% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  16.98 +/- 3.19   0.433% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  13.67 +/- 2.68   0.564% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.29 +/- 1.32   0.705% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  11.73 +/- 1.90   0.754% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  20.06 +/- 3.98   0.155% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  15.52 +/- 3.01   0.333% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  15.67 +/- 2.63   0.330% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  22.31 +/- 5.01   0.297% *  0.0285% (0.25   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 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 = 6.59, residual support = 272.1:
    * O T HG12  ILE  119 - QG2   ILE  119   3.06 +/- 0.25  86.429% * 99.4466% (1.00  10.0 10.00   6.59 272.16) =  99.991%  kept
          HB2   ASP-  44 - QG2   ILE  119  11.03 +/- 2.15   2.874% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - QG2   ILE  119  11.92 +/- 2.67   2.244% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - QG2   ILE  119  11.62 +/- 4.05   3.449% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QG2   ILE  119  14.97 +/- 2.27   1.295% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QG2   ILE  119  20.51 +/- 4.25   0.720% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE  119  16.17 +/- 2.88   1.013% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   ILE  119  17.29 +/- 2.40   0.572% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  18.84 +/- 1.65   0.410% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  17.90 +/- 2.14   0.534% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  21.59 +/- 4.12   0.460% *  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 = 0.999, support = 6.38, residual support = 271.9:
    * O T HG13  ILE  119 - QG2   ILE  119   2.67 +/- 0.31  68.999% * 99.3036% (1.00  10.0 10.00   6.38 272.16) =  99.901%  kept
          QG1   VAL  107 - QG2   ILE  119   7.36 +/- 2.92  16.019% *  0.3901% (0.15   1.0  1.00   0.51   0.02) =   0.091%
          HD3   LYS+ 112 - QG2   ILE  119   9.09 +/- 2.39   3.760% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QG2   ILE  119   7.21 +/- 0.71   4.268% *  0.0306% (0.31   1.0  1.00   0.02   7.30) =   0.002%
          QB    ALA   20 - QG2   ILE  119  14.13 +/- 2.42   1.079% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   7.70 +/- 2.17   4.371% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG2   ILE  119  16.91 +/- 4.34   1.068% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  17.68 +/- 3.91   0.436% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 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 = 5.84, residual support = 272.2:
    *   T QD1   ILE  119 - QG2   ILE  119   1.93 +/- 0.30  95.965% * 99.8078% (0.97 10.00   5.84 272.16) =  99.997%  kept
          QG2   VAL  108 - QG2   ILE  119  11.67 +/- 2.23   2.242% *  0.0586% (0.57  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG2   ILE  119  13.36 +/- 4.18   1.053% *  0.0751% (0.73  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - QG2   ILE  119  13.67 +/- 2.10   0.740% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 7.16, residual support = 243.1:
    * O T HA    ILE  119 - HG12  ILE  119   2.64 +/- 0.59  81.817% * 50.8167% (1.00  10.0 10.00   7.22 272.16) =  85.637%  kept
        T HA    THR  118 - HG12  ILE  119   5.71 +/- 0.44  14.216% * 49.0416% (0.97   1.0 10.00   6.83  69.70) =  14.360%  kept
          HA2   GLY  109 - HG12  ILE  119  13.43 +/- 2.97   3.037% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   49 - HG12  ILE  119  19.85 +/- 2.07   0.346% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  23.15 +/- 1.80   0.175% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  16.70 +/- 2.71   0.409% *  0.0089% (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 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.95, residual support = 272.1:
    * O T HB    ILE  119 - HG12  ILE  119   2.63 +/- 0.24  92.138% * 98.6651% (0.87  10.0 10.00   6.96 272.16) =  99.990%  kept
        T HB2   ARG+  54 - HG12  ILE  119  14.08 +/- 1.66   0.654% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PRO   68 - HG12  ILE  119  15.35 +/- 4.21   1.668% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HG12  ILE  119  11.79 +/- 1.78   1.143% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG12  ILE  119  14.16 +/- 2.85   0.851% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  20.12 +/- 3.94   0.409% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG12  ILE  119  19.11 +/- 3.60   0.410% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  12.12 +/- 1.77   1.235% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  18.32 +/- 3.17   0.507% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.70 +/- 4.05   0.193% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  18.64 +/- 3.04   0.418% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  25.47 +/- 5.72   0.375% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 272.1:
    * O T QG2   ILE  119 - HG12  ILE  119   3.06 +/- 0.25  83.685% * 99.7168% (1.00  10.0 10.00   6.59 272.16) =  99.993%  kept
          QD2   LEU   71 - HG12  ILE  119  12.33 +/- 3.14   2.814% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HG12  ILE  119   9.93 +/- 3.53   5.911% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG12  ILE  119  15.09 +/- 3.14   1.057% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  119  10.24 +/- 2.80   4.441% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  13.47 +/- 2.77   1.443% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  17.00 +/- 3.06   0.648% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.09 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 = 6.85, residual support = 272.2:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  91.473% * 99.6771% (1.00  10.0 10.00   6.85 272.16) =  99.998%  kept
          QG1   VAL  107 - HG12  ILE  119   7.07 +/- 2.99   3.499% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG12  ILE  119   9.94 +/- 2.15   0.851% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.63 +/- 1.24   1.211% *  0.0308% (0.31   1.0  1.00   0.02   7.30) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   7.31 +/- 2.30   2.214% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  18.88 +/- 5.32   0.429% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  19.65 +/- 4.66   0.148% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.20 +/- 2.81   0.176% *  0.0685% (0.69   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 272.2:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.02  98.187% * 99.8078% (0.97  10.0 10.00   5.90 272.16) =  99.999%  kept
          QG2   VAL  108 - HG12  ILE  119  12.04 +/- 2.42   0.769% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  14.44 +/- 4.42   0.595% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  14.35 +/- 2.62   0.449% *  0.0586% (0.57   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 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.96, residual support = 246.9:
    * O T HA    ILE  119 - HG13  ILE  119   3.10 +/- 0.47  82.676% * 50.8167% (1.00  10.0 10.00   6.99 272.16) =  87.507%  kept
        T HA    THR  118 - HG13  ILE  119   6.26 +/- 0.89  12.227% * 49.0416% (0.97   1.0 10.00   6.74  69.70) =  12.490%  kept
          HA2   GLY  109 - HG13  ILE  119  13.60 +/- 2.89   3.654% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - HG13  ILE  119  19.77 +/- 1.81   0.424% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  23.20 +/- 1.81   0.259% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  16.78 +/- 2.37   0.762% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.57, residual support = 272.1:
    * O T HB    ILE  119 - HG13  ILE  119   2.61 +/- 0.33  92.336% * 99.2403% (0.87  10.0 10.00   6.57 272.16) =  99.995%  kept
          HB3   PRO   68 - HG13  ILE  119  15.41 +/- 4.04   0.948% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  14.55 +/- 2.61   0.942% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  11.84 +/- 1.32   1.224% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  13.62 +/- 1.55   0.970% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  12.00 +/- 1.94   1.472% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG13  ILE  119  20.26 +/- 3.95   0.307% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  19.25 +/- 3.56   0.347% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  18.76 +/- 2.97   0.403% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  18.37 +/- 3.17   0.400% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  23.11 +/- 3.32   0.167% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  25.51 +/- 5.62   0.483% *  0.0285% (0.25   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 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.38, residual support = 272.1:
    * O T QG2   ILE  119 - HG13  ILE  119   2.67 +/- 0.31  81.789% * 99.7168% (1.00  10.0 10.00   6.38 272.16) =  99.992%  kept
          QD2   LEU   71 - HG13  ILE  119  12.42 +/- 3.24   3.945% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HG13  ILE  119  10.28 +/- 3.45   9.998% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG13  ILE  119  10.31 +/- 2.60   2.634% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG13  ILE  119  15.47 +/- 2.69   0.514% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG13  ILE  119  13.91 +/- 2.30   0.654% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  16.97 +/- 2.85   0.467% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.85, residual support = 272.2:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  97.682% * 99.4466% (1.00  10.0 10.00   6.85 272.16) =  99.999%  kept
          HB3   PHE   72 - HG13  ILE  119  12.99 +/- 3.36   0.774% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG13  ILE  119  11.21 +/- 2.33   0.533% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  12.72 +/- 3.79   0.394% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.10 +/- 2.02   0.155% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  23.56 +/- 4.83   0.079% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  19.44 +/- 3.30   0.109% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.60 +/- 3.01   0.081% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  20.76 +/- 1.49   0.062% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  19.53 +/- 2.43   0.081% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  26.01 +/- 4.78   0.050% *  0.0153% (0.15   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 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 = 5.67, residual support = 272.2:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.02  98.472% * 99.8078% (0.97  10.0 10.00   5.67 272.16) =  99.999%  kept
          QG2   VAL  108 - HG13  ILE  119  12.40 +/- 2.09   0.680% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  14.96 +/- 3.74   0.437% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  14.46 +/- 2.30   0.411% *  0.0586% (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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.14, residual support = 262.6:
    *   T HA    ILE  119 - QD1   ILE  119   3.25 +/- 0.59  78.651% * 76.7800% (0.97 10.00   6.14 272.16) =  95.286%  kept
          HA    THR  118 - QD1   ILE  119   6.34 +/- 0.23  13.029% * 22.8848% (0.93  1.00   6.18  69.70) =   4.705%  kept
          HA2   GLY  109 - QD1   ILE  119  11.90 +/- 2.29   5.408% *  0.0558% (0.70  1.00   0.02   0.02) =   0.005%
        T HA    VAL   75 - QD1   ILE  119  14.21 +/- 2.08   1.363% *  0.1345% (0.17 10.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QD1   ILE  119  16.28 +/- 2.17   1.069% *  0.0761% (0.96  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - QD1   ILE  119  19.62 +/- 1.50   0.480% *  0.0689% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 5.82, residual support = 272.1:
    * O T HB    ILE  119 - QD1   ILE  119   2.70 +/- 0.39  85.928% * 98.5836% (0.84  10.0 10.00   5.82 272.16) =  99.980%  kept
        T HB    VAL  108 - QD1   ILE  119  12.78 +/- 1.94   1.056% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.009%
          HB3   PRO   68 - QD1   ILE  119  12.46 +/- 3.76   2.345% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - QD1   ILE  119  17.00 +/- 3.62   1.517% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - QD1   ILE  119  16.19 +/- 3.25   1.294% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QD1   ILE  119  11.15 +/- 1.60   1.588% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119  10.52 +/- 1.30   1.677% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - QD1   ILE  119  10.34 +/- 1.83   2.149% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD1   ILE  119  19.52 +/- 3.45   0.442% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE  119  15.13 +/- 2.91   0.754% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  15.50 +/- 2.78   0.710% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  21.37 +/- 4.70   0.541% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.84, residual support = 272.2:
    *   T QG2   ILE  119 - QD1   ILE  119   1.93 +/- 0.30  87.450% * 99.7168% (0.97 10.00   5.84 272.16) =  99.996%  kept
          QD1   LEU   67 - QD1   ILE  119   8.44 +/- 2.78   7.040% *  0.0197% (0.19  1.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - QD1   ILE  119  10.42 +/- 2.65   1.604% *  0.0865% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QD1   ILE  119   8.89 +/- 3.09   2.530% *  0.0175% (0.17  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   ILE  119  13.37 +/- 2.40   0.437% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  12.09 +/- 2.08   0.611% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  14.14 +/- 2.56   0.328% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 272.2:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.02  93.496% * 99.4466% (0.97  10.0 10.00   5.90 272.16) =  99.996%  kept
          HB3   PHE   72 - QD1   ILE  119  11.01 +/- 3.13   1.975% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  44 - QD1   ILE  119   9.48 +/- 2.03   1.584% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QD1   ILE  119  13.78 +/- 2.16   0.540% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119  11.24 +/- 3.16   0.957% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  19.80 +/- 4.19   0.264% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  16.10 +/- 2.95   0.347% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.01 +/- 2.64   0.258% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.49 +/- 1.42   0.185% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.42 +/- 1.97   0.237% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  21.53 +/- 4.28   0.157% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.67, residual support = 272.1:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.02  84.098% * 99.6771% (0.97  10.0 10.00   5.67 272.16) =  99.994%  kept
          HD3   LYS+ 112 - QD1   ILE  119   8.13 +/- 2.35   4.420% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QD1   ILE  119   8.33 +/- 1.21   2.169% *  0.0308% (0.30   1.0  1.00   0.02   7.30) =   0.001%
          QG1   VAL  107 - QD1   ILE  119   6.84 +/- 2.12   4.045% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   7.01 +/- 1.61   3.210% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   ILE  119  13.43 +/- 2.26   0.656% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QD1   ILE  119  16.81 +/- 3.99   0.425% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD1   ILE  119  15.93 +/- 4.28   0.976% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.941, support = 2.31, residual support = 13.1:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.02  92.039% * 85.5096% (0.95  10.0 10.00   2.30  13.15) =  99.346%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.68 +/- 0.86   3.694% * 13.9474% (0.15   1.0 10.00   4.36   2.62) =   0.650%  kept
          HG    LEU  115 - HA    ALA  120  10.69 +/- 1.22   0.824% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  16.42 +/- 2.89   0.318% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    ALA  120  14.59 +/- 4.91   0.516% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    ALA  120  10.22 +/- 1.13   0.947% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  15.43 +/- 4.38   0.634% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.83 +/- 4.70   0.685% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  20.76 +/- 4.31   0.228% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.93 +/- 2.68   0.114% *  0.0440% (0.49   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 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.939, support = 2.34, residual support = 12.9:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.02  78.587% * 84.0535% (0.95  10.0 10.00   2.30  13.15) =  97.174%  kept
          HA    LYS+ 121 - QB    ALA  120   3.84 +/- 0.05  13.328% * 13.2799% (0.72   1.0  1.00   4.13   2.62) =   2.604%  kept
          QB    SER  117 - QB    ALA  120   4.96 +/- 0.39   6.722% *  2.2397% (0.39   1.0  1.00   1.30   5.14) =   0.221%  kept
          HA    LYS+  65 - QB    ALA  120  15.20 +/- 2.24   0.456% *  0.0642% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  18.80 +/- 3.14   0.175% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  16.05 +/- 1.01   0.190% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  17.59 +/- 3.21   0.190% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  18.88 +/- 2.14   0.140% *  0.0577% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  23.98 +/- 2.52   0.064% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.38 +/- 2.06   0.148% *  0.0166% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.944, support = 7.98, residual support = 298.6:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.90 +/- 0.17  47.323% * 77.0371% (1.00  10.0 10.00   8.30 312.54) =  93.366%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.39 +/- 0.57  33.924% *  4.8245% (0.06   1.0 10.00   4.88 160.32) =   4.191%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.87 +/- 0.45   5.940% * 15.7307% (0.31   1.0 10.00   1.32   2.35) =   2.393%  kept
        T QD    LYS+  65 - HA    LYS+ 121  17.34 +/- 3.51   1.512% *  0.7687% (1.00   1.0 10.00   0.02   0.02) =   0.030%
        T QD    LYS+  38 - HA    LYS+ 121  17.73 +/- 6.13   0.526% *  0.6909% (0.90   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 102 - HA    LYS+ 121  19.16 +/- 6.47   0.562% *  0.4053% (0.53   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  38 - HA    LYS+  65  17.30 +/- 4.06   1.463% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HA    LYS+ 121  18.45 +/- 1.76   0.211% *  0.2142% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  17.02 +/- 2.58   0.435% *  0.0484% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+ 121  14.84 +/- 1.86   0.495% *  0.0238% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65   8.30 +/- 3.03   3.598% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.51 +/- 2.64   0.132% *  0.0467% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  16.58 +/- 2.70   0.334% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  28.21 +/- 3.80   0.060% *  0.0755% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.47 +/- 1.46   0.166% *  0.0263% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  22.84 +/- 3.57   0.300% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.59 +/- 3.41   0.148% *  0.0254% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.40 +/- 2.26   1.757% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  15.08 +/- 3.13   0.843% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  19.28 +/- 4.01   0.271% *  0.0047% (0.06   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 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 312.5:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.71 +/- 0.59  82.652% * 99.6412% (1.00  10.0 10.00   7.34 312.54) =  99.993%  kept
          QG2   VAL  107 - HA    LYS+ 121  11.40 +/- 2.48   2.246% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  119 - HA    LYS+ 121   8.88 +/- 0.46   3.155% *  0.0308% (0.31   1.0  1.00   0.02   7.30) =   0.001%
          QB    ALA   20 - HA    LYS+ 121  18.89 +/- 4.44   1.059% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HA    LYS+ 121  18.51 +/- 6.30   1.451% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HA    LYS+  65  18.35 +/- 3.38   0.931% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    LYS+  65  10.27 +/- 4.02   4.947% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  21.23 +/- 5.91   0.341% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.81 +/- 1.56   0.931% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  13.26 +/- 1.35   1.214% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  16.89 +/- 3.91   0.782% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.37 +/- 2.69   0.290% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.999, support = 6.72, residual support = 312.0:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.04 +/- 0.51  72.639% * 97.8682% (1.00  10.0 10.00   6.73 312.54) =  99.836%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.25 +/- 0.47   6.740% *  1.6264% (0.49   1.0  1.00   0.68   2.35) =   0.154%  kept
        T QD2   LEU   73 - HA    LYS+ 121  15.91 +/- 2.82   1.167% *  0.3338% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QD2   LEU   73 - HA    LYS+  65   8.48 +/- 1.98   9.425% *  0.0210% (0.02   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HA    LYS+ 121  12.66 +/- 1.28   1.384% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HA    LYS+  65  18.61 +/- 3.28   0.654% *  0.0614% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    LYS+ 121  21.45 +/- 5.69   0.655% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  11.95 +/- 1.58   2.015% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  16.14 +/- 3.70   3.890% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  12.70 +/- 2.33   1.432% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.661, support = 7.75, residual support = 301.4:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.89 +/- 0.62  16.361% * 69.2258% (1.00   1.0 10.00   7.67 312.54) =  53.312%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.62 +/- 0.23  39.868% * 21.3664% (0.31  10.0 10.00   8.22 312.54) =  40.095%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.14 +/- 0.67  28.466% *  4.3065% (0.06  10.0 10.00   5.39 160.32) =   5.770%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.01 +/- 1.20   4.870% *  3.4792% (0.05   1.0 10.00   5.70  31.47) =   0.797%  kept
        T HG2   LYS+  65 - HA    LYS+ 121  18.41 +/- 3.76   0.337% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+  66 - HA    LYS+ 121  16.13 +/- 3.64   0.313% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.008%
          HG    LEU  104 - HA    LYS+ 121  15.28 +/- 8.09   1.815% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+  65   8.50 +/- 3.41   2.751% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+ 121  20.41 +/- 4.87   0.237% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  22.20 +/- 2.68   0.074% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.46 +/- 3.11   0.214% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  13.53 +/- 5.26   0.623% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.70 +/- 2.75   1.333% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.85 +/- 2.23   1.525% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.83 +/- 2.78   0.088% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.48 +/- 2.86   0.237% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.23 +/- 1.73   0.179% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.31 +/- 2.19   0.465% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  20.06 +/- 3.50   0.109% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.08 +/- 2.61   0.134% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.962, support = 6.64, residual support = 253.6:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.99 +/- 0.82  63.089% * 55.3866% (1.00   6.70 312.54) =  77.112%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.92 +/- 0.33  23.368% * 44.3679% (0.84   6.43  55.07) =  22.880%  kept
          HB3   ASN   28 - HA    LYS+ 121  25.07 +/- 7.45   2.855% *  0.0741% (0.45   0.02   0.02) =   0.005%
          HG2   GLN   30 - HA    LYS+ 121  22.07 +/- 5.21   0.810% *  0.1135% (0.69   0.02   0.02) =   0.002%
          QE    LYS+ 121 - HA    LYS+  65  16.83 +/- 3.25   2.900% *  0.0104% (0.06   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    LYS+  65  14.61 +/- 1.96   1.836% *  0.0087% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  15.05 +/- 2.59   1.768% *  0.0071% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  28.15 +/- 2.96   0.222% *  0.0255% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.62 +/- 3.78   1.189% *  0.0046% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  16.01 +/- 3.46   1.962% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 303.7:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.90 +/- 0.17  76.957% * 82.0902% (1.00  10.0 10.00   8.30 312.54) =  97.149%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.74 +/- 0.36  10.706% * 17.2305% (0.76   1.0  1.00   5.49   2.62) =   2.837%  kept
          QB    SER  117 - HB2   LYS+ 121   6.62 +/- 0.89   8.625% *  0.0686% (0.84   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LYS+  65 - HB2   LYS+ 121  17.02 +/- 2.58   0.655% *  0.2800% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - HB2   LYS+ 121  17.36 +/- 2.76   0.430% *  0.0814% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  11.79 +/- 1.66   1.441% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   LYS+ 121  21.76 +/- 3.57   0.275% *  0.0777% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.93 +/- 3.95   0.567% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.00 +/- 2.79   0.213% *  0.0814% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  27.08 +/- 4.07   0.133% *  0.0337% (0.41   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 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 = 312.5:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.83 +/- 0.19  86.448% * 99.7211% (1.00  10.0 10.00   7.75 312.54) =  99.991%  kept
          QG2   VAL  107 - HB2   LYS+ 121   9.71 +/- 2.88   4.428% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          HG13  ILE  119 - HB2   LYS+ 121   7.36 +/- 0.83   5.655% *  0.0308% (0.31   1.0  1.00   0.02   7.30) =   0.002%
          QB    ALA   20 - HB2   LYS+ 121  17.64 +/- 4.22   1.275% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB2   LYS+ 121  16.65 +/- 6.18   1.556% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   LYS+ 121  19.56 +/- 5.50   0.638% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 7.09, residual support = 308.1:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.80 +/- 0.25  90.561% * 81.0166% (1.00  10.0 10.00   7.18 312.54) =  98.559%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.77 +/- 0.70   5.734% * 18.6399% (0.49   1.0 10.00   0.95   2.35) =   1.436%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  14.30 +/- 2.78   0.932% *  0.2764% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB2   LYS+ 121  11.06 +/- 1.53   2.069% *  0.0491% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   LYS+ 121  19.72 +/- 5.38   0.705% *  0.0180% (0.22   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 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 8.4, residual support = 312.5:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.36 +/- 0.34  30.895% * 74.7463% (1.00  10.0 10.00   8.16 312.54) =  60.103%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  66.426% * 23.0703% (0.31  10.0 10.00   8.76 312.54) =  39.886%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  15.17 +/- 3.63   0.312% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  65 - HB2   LYS+ 121  17.02 +/- 3.62   0.209% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.82 +/- 2.74   0.061% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  14.04 +/- 7.75   1.269% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HB2   LYS+ 121  19.10 +/- 4.75   0.197% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  20.18 +/- 2.60   0.052% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  12.22 +/- 4.76   0.431% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  14.74 +/- 2.51   0.148% *  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 = 0.964, support = 7.03, residual support = 257.0:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.43 +/- 0.61  67.647% * 56.4812% (1.00   7.15 312.54) =  78.419%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.32 +/- 0.54  24.261% * 43.3152% (0.84   6.57  55.07) =  21.568%  kept
          HB3   ASN   28 - HB2   LYS+ 121  23.35 +/- 7.23   6.718% *  0.0708% (0.45   0.02   0.02) =   0.010%
          HG2   GLN   30 - HB2   LYS+ 121  20.51 +/- 4.96   1.170% *  0.1085% (0.69   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HB2   LYS+ 121  25.94 +/- 3.07   0.203% *  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 = 0.995, support = 7.29, residual support = 306.7:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.71 +/- 0.59  79.199% * 84.3962% (1.00  10.0 10.00   7.34 312.54) =  98.126%  kept
          HA    ALA  120 - HG2   LYS+ 121   6.68 +/- 0.66   8.500% * 14.9054% (0.76   1.0  1.00   4.62   2.62) =   1.860%  kept
          QB    SER  117 - HG2   LYS+ 121   7.41 +/- 1.70   8.063% *  0.0705% (0.84   1.0  1.00   0.02   0.02) =   0.008%
        T HA    LYS+  65 - HG2   LYS+ 121  18.35 +/- 3.38   0.899% *  0.2879% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HA    PHE   60 - HG2   LYS+ 121  13.50 +/- 2.23   1.868% *  0.0235% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG2   LYS+ 121  18.80 +/- 3.21   0.516% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HG2   LYS+ 121  23.23 +/- 3.63   0.255% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  24.58 +/- 2.90   0.186% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  19.51 +/- 3.62   0.390% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  28.51 +/- 4.33   0.125% *  0.0347% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 312.5:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.83 +/- 0.19  88.854% * 99.4783% (1.00  10.0 10.00   7.75 312.54) =  99.994%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.72 +/- 0.81   5.288% *  0.0307% (0.31   1.0  1.00   0.02   2.35) =   0.002%
          QD    LYS+  65 - HG2   LYS+ 121  17.33 +/- 3.80   1.578% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - HG2   LYS+ 121  17.24 +/- 6.06   1.437% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  18.40 +/- 6.40   0.834% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  14.76 +/- 1.77   0.826% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  21.07 +/- 3.13   0.308% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  27.49 +/- 4.32   0.143% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  18.03 +/- 2.70   0.412% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  18.95 +/- 1.97   0.320% *  0.0339% (0.34   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 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 = 312.5:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  98.144% * 99.3314% (1.00  10.0 10.00   6.31 312.54) =  99.998%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  15.26 +/- 3.38   0.337% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.56 +/- 0.90   1.026% *  0.0483% (0.49   1.0  1.00   0.02   2.35) =   0.001%
        T HG    LEU   31 - HG2   LYS+ 121  20.49 +/- 5.83   0.167% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.38 +/- 1.40   0.325% *  0.0602% (0.61   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 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.83, support = 7.31, residual support = 312.5:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.78 +/- 0.16  45.421% * 75.5250% (1.00  10.0 10.00   7.19 312.54) =  75.444%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.74 +/- 0.22  47.871% * 23.3106% (0.31  10.0 10.00   7.69 312.54) =  24.541%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  16.44 +/- 3.85   0.695% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU  104 - HG2   LYS+ 121  14.52 +/- 8.05   3.409% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 111 - HG2   LYS+ 121  15.82 +/- 2.68   0.307% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG2   LYS+ 121  19.69 +/- 5.24   0.541% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG2   LYS+ 121  18.36 +/- 4.34   0.525% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.81 +/- 3.09   0.107% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  13.16 +/- 5.06   0.981% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.32 +/- 3.39   0.143% *  0.0577% (0.76   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 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.992, support = 6.25, residual support = 299.7:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.97 +/- 0.47  79.645% * 81.4011% (1.00  10.0   6.30 312.54) =  95.016%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.37 +/- 1.13  18.384% * 18.4939% (0.84   1.0   5.44  55.07) =   4.983%  kept
          HB3   ASN   28 - HG2   LYS+ 121  24.04 +/- 7.60   1.392% *  0.0365% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  21.27 +/- 5.48   0.443% *  0.0559% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  27.68 +/- 3.43   0.135% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.994, support = 6.68, residual support = 308.1:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.04 +/- 0.51  56.279% * 85.0176% (1.00  10.0 10.00   6.73 312.54) =  98.574%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.30 +/- 0.42   4.107% * 12.8935% (0.76   1.0  1.00   3.97   2.62) =   1.091%  kept
          HA    PHE   60 - QD2   LEU   73   8.41 +/- 2.53  17.425% *  0.8414% (0.09   1.0  1.00   2.09   1.96) =   0.302%  kept
        T HA    LYS+  65 - QD2   LEU   73   8.48 +/- 1.98   5.528% *  0.0989% (0.12   1.0 10.00   0.02   0.02) =   0.011%
          QB    SER  117 - HG3   LYS+ 121   7.55 +/- 1.42   7.275% *  0.0710% (0.84   1.0  1.00   0.02   0.02) =   0.011%
        T HA    LYS+ 121 - QD2   LEU   73  15.91 +/- 2.82   0.516% *  0.2899% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 121  18.61 +/- 3.28   0.443% *  0.2900% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - QD2   LEU   73  10.59 +/- 2.13   1.908% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  18.85 +/- 3.36   0.365% *  0.0843% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD2   LEU   73  13.78 +/- 2.51   0.908% *  0.0274% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  14.40 +/- 2.98   0.787% *  0.0242% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.81 +/- 2.01   0.788% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  23.41 +/- 3.62   0.192% *  0.0804% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  13.06 +/- 3.94   1.056% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  24.95 +/- 3.00   0.147% *  0.0843% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  19.72 +/- 3.82   0.339% *  0.0350% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  15.54 +/- 3.42   0.950% *  0.0119% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  15.82 +/- 2.54   0.494% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  17.46 +/- 2.51   0.375% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  28.47 +/- 4.54   0.118% *  0.0350% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 7.15, residual support = 309.6:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.80 +/- 0.25  66.626% * 89.5935% (1.00  10.0 10.00   7.18 312.54) =  98.951%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.08 +/- 0.97   9.799% *  5.0667% (0.21   1.0  1.00   5.47  42.84) =   0.823%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.37 +/- 0.66   2.884% *  4.4504% (0.31   1.0 10.00   0.32   2.35) =   0.213%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  14.30 +/- 2.78   0.680% *  0.3055% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD    LYS+  65 - HG3   LYS+ 121  17.64 +/- 3.76   1.093% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - QD2   LEU   73  11.55 +/- 2.31   2.914% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU   73   9.41 +/- 1.73   2.560% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QD2   LEU   73  13.02 +/- 3.63   2.486% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG3   LYS+ 121  16.94 +/- 6.12   0.822% *  0.0804% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU   73  12.22 +/- 3.04   3.907% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG3   LYS+ 121  17.93 +/- 6.67   0.776% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QD2   LEU   73  10.47 +/- 2.23   2.462% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  15.21 +/- 1.87   0.522% *  0.0277% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  21.20 +/- 2.82   0.204% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.72 +/- 2.70   0.630% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  27.40 +/- 4.42   0.108% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  18.24 +/- 2.59   0.336% *  0.0249% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.22 +/- 1.99   0.253% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  15.92 +/- 2.50   0.462% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  18.79 +/- 3.87   0.475% *  0.0085% (0.09   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 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 6.3, residual support = 312.1:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  87.961% * 96.7692% (1.00  10.0 10.00   6.31 312.54) =  99.844%  kept
          QB    ALA   20 - QD2   LEU   73   6.72 +/- 2.93   5.703% *  2.2395% (0.27   1.0  1.00   1.70   0.02) =   0.150%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.50 +/- 2.65   1.780% *  0.0917% (0.09   1.0 10.00   0.02   1.60) =   0.002%
          QG2   VAL  107 - HG3   LYS+ 121  10.83 +/- 3.21   1.336% *  0.0893% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - QD2   LEU   73  15.26 +/- 3.38   0.303% *  0.3300% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  20.16 +/- 6.07   0.140% *  0.2691% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  18.56 +/- 4.98   0.350% *  0.0775% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  10.71 +/- 2.59   0.644% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  16.99 +/- 6.99   0.375% *  0.0471% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.60 +/- 0.74   0.577% *  0.0299% (0.31   1.0  1.00   0.02   7.30) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  12.28 +/- 2.94   0.365% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  12.69 +/- 2.89   0.466% *  0.0102% (0.11   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 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 = 0.757, support = 6.71, residual support = 306.5:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.93 +/- 0.09  27.138% * 67.7387% (1.00  10.0 10.00   6.59 312.54) =  65.115%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.48 +/- 0.25  44.100% * 20.9074% (0.31  10.0 10.00   7.02 312.54) =  32.659%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.25 +/- 0.94   9.642% *  5.3254% (0.26   1.0  1.00   6.03  42.84) =   1.819%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.02 +/- 0.90   2.310% *  4.5713% (0.07   1.0 10.00   2.92  42.84) =   0.374%  kept
        T QD    LYS+  66 - HG3   LYS+ 121  16.57 +/- 4.03   0.618% *  0.5424% (0.80   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  66 - QD2   LEU   73  10.88 +/- 2.01   0.971% *  0.1850% (0.27   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   26 - QD2   LEU   73   7.04 +/- 2.17   5.221% *  0.0223% (0.33   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   LYS+ 121 - QD2   LEU   73  14.47 +/- 3.27   0.432% *  0.2310% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HG3   LYS+ 121  14.13 +/- 8.30   3.382% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HG3   LYS+ 121  19.68 +/- 5.44   0.526% *  0.0654% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU   73   9.76 +/- 2.04   1.143% *  0.0229% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD2   LEU   73  14.42 +/- 3.09   0.354% *  0.0713% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG3   LYS+ 121  18.68 +/- 4.19   0.324% *  0.0671% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG3   LYS+ 121  21.95 +/- 2.75   0.080% *  0.1341% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   9.00 +/- 1.83   2.036% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  13.03 +/- 5.01   0.655% *  0.0119% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.42 +/- 3.25   0.111% *  0.0518% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  13.50 +/- 3.44   0.509% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  16.05 +/- 2.53   0.205% *  0.0151% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  16.70 +/- 3.24   0.244% *  0.0051% (0.08   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 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 5.97, residual support = 306.7:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.46 +/- 0.44  68.386% * 81.7816% (1.00  10.0   6.00 312.54) =  97.758%  kept
          HB3   HIS  122 - HG3   LYS+ 121   6.77 +/- 0.90   6.839% * 17.5365% (0.84   1.0   5.13  55.07) =   2.096%  kept
          HG2   GLN   30 - QD2   LEU   73   6.76 +/- 2.56  15.970% *  0.5084% (0.23   1.0   0.53   3.11) =   0.142%  kept
          HB3   ASN   28 - HG3   LYS+ 121  23.97 +/- 7.68   3.625% *  0.0367% (0.45   1.0   0.02   0.02) =   0.002%
          HG2   GLN   30 - HG3   LYS+ 121  21.23 +/- 5.58   0.550% *  0.0562% (0.69   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD2   LEU   73  13.80 +/- 3.05   0.964% *  0.0279% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.90 +/- 3.04   1.107% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   9.52 +/- 2.18   1.636% *  0.0125% (0.15   1.0   0.02   1.44) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  12.46 +/- 1.39   0.849% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  27.76 +/- 3.34   0.073% *  0.0126% (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 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.956, support = 7.21, residual support = 268.6:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.89 +/- 0.62  31.832% * 54.7916% (1.00 10.00   7.67 312.54) =  85.684%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.68 +/- 0.86   6.173% * 41.8733% (0.76 10.00   4.36   2.62) =  12.699%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.01 +/- 1.20  12.070% *  2.3240% (0.04 10.00   5.70  31.47) =   1.378%  kept
          QB    SER  117 - HD2   LYS+ 121   6.44 +/- 1.83  12.629% *  0.3343% (0.84  1.00   0.15   0.02) =   0.207%  kept
        T HA    LYS+  65 - HD3   LYS+  74   8.50 +/- 3.41   5.778% *  0.0292% (0.05 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  65 - HD2   LYS+ 121  17.46 +/- 3.11   0.783% *  0.1869% (0.34 10.00   0.02   0.02) =   0.007%
        T HA    LYS+ 121 - QD    LYS+  66  16.13 +/- 3.64   1.128% *  0.0681% (0.12 10.00   0.02   0.02) =   0.004%
          HB    THR   94 - HD2   LYS+ 121  17.45 +/- 2.92   0.501% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+  74  13.36 +/- 4.49   3.309% *  0.0081% (0.15  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  66  13.24 +/- 5.18   8.446% *  0.0028% (0.05  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD2   LYS+ 121  12.18 +/- 1.87   1.500% *  0.0152% (0.28  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+  74  22.20 +/- 2.68   0.197% *  0.0855% (0.16 10.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD    LYS+  66  16.94 +/- 5.69   2.431% *  0.0064% (0.12  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD2   LYS+ 121  21.96 +/- 3.38   0.290% *  0.0518% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD2   LYS+ 121  19.62 +/- 3.78   0.540% *  0.0225% (0.41  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD2   LYS+ 121  23.15 +/- 2.93   0.222% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD    LYS+  66  15.68 +/- 3.45   1.862% *  0.0057% (0.10  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+  74  13.32 +/- 2.24   1.141% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66  14.27 +/- 3.82   1.092% *  0.0052% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74  10.53 +/- 2.49   2.185% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  17.49 +/- 3.33   0.597% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66  10.09 +/- 1.03   2.191% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  19.12 +/- 3.13   0.568% *  0.0071% (0.13  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  17.41 +/- 2.36   0.497% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  27.18 +/- 4.09   0.117% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  18.84 +/- 2.86   0.390% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  18.00 +/- 6.55   0.653% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  20.89 +/- 3.12   0.229% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.43 +/- 1.88   0.410% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  22.29 +/- 3.22   0.237% *  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 = 0.827, support = 7.26, residual support = 284.2:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.36 +/- 0.34  26.382% * 79.1506% (1.00  10.0 10.00   8.16 312.54) =  80.799%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  56.871% *  7.4880% (0.09  10.0  1.00   3.34 186.86) =  16.478%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.66 +/- 1.41   7.043% *  9.8204% (0.12   1.0 10.00   4.38  31.47) =   2.676%  kept
        T QD    LYS+  65 - HD3   LYS+  74   8.69 +/- 4.14   4.188% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.020%
        T QD    LYS+  65 - HD2   LYS+ 121  16.52 +/- 3.67   0.327% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  38 - HD2   LYS+ 121  16.98 +/- 5.78   0.319% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+ 102 - HD2   LYS+ 121  18.08 +/- 5.68   0.122% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.87 +/- 2.86   0.055% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - QD    LYS+  66  15.17 +/- 3.63   0.269% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HD3   LYS+  74  23.19 +/- 5.35   0.638% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  16.95 +/- 2.81   0.092% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QD    LYS+  66  15.76 +/- 3.78   0.216% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.96 +/- 1.09   0.737% *  0.0244% (0.31   1.0  1.00   0.02   2.35) =   0.001%
        T QD    LYS+  38 - HD3   LYS+  74  18.12 +/- 4.16   0.111% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  20.18 +/- 2.60   0.044% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  21.17 +/- 4.77   0.066% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  13.74 +/- 1.54   0.133% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  22.35 +/- 3.38   0.036% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  11.40 +/- 2.36   0.388% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  26.00 +/- 4.02   0.024% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  21.65 +/- 3.84   0.066% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.57 +/- 1.76   0.064% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  14.62 +/- 2.70   0.136% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  11.05 +/- 3.14   0.431% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  13.46 +/- 3.50   0.310% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  20.54 +/- 4.02   0.117% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.22 +/- 2.19   0.345% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  13.89 +/- 4.16   0.329% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.54 +/- 2.80   0.094% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.95 +/- 3.65   0.045% *  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 = 7.18, residual support = 312.5:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.78 +/- 0.16  66.912% * 99.3656% (1.00  10.0 10.00   7.19 312.54) =  99.986%  kept
          QG2   VAL  107 - HD2   LYS+ 121   9.70 +/- 2.87   3.810% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   20 - HD3   LYS+  74   8.89 +/- 5.75  11.747% *  0.0124% (0.12   1.0  1.00   0.02   5.66) =   0.002%
        T HG2   LYS+ 121 - QD    LYS+  66  16.44 +/- 3.85   1.034% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HD2   LYS+ 121   7.87 +/- 0.72   3.381% *  0.0307% (0.31   1.0  1.00   0.02   7.30) =   0.002%
          QB    ALA   20 - HD2   LYS+ 121  18.04 +/- 4.42   0.849% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HD2   LYS+ 121  16.64 +/- 5.91   0.721% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.81 +/- 3.09   0.168% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  13.57 +/- 3.00   1.624% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  11.95 +/- 2.65   1.504% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  14.23 +/- 3.05   0.992% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  19.56 +/- 5.59   0.489% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  17.44 +/- 4.88   2.591% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  12.28 +/- 2.79   1.530% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  15.81 +/- 3.13   1.161% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  20.04 +/- 4.19   0.574% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  19.15 +/- 3.48   0.431% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  16.31 +/- 3.10   0.483% *  0.0048% (0.05   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 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 312.5:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.93 +/- 0.09  68.055% * 99.1222% (1.00  10.0 10.00   6.59 312.54) =  99.978%  kept
        T QD2   LEU   73 - HD2   LYS+ 121  14.47 +/- 3.27   1.213% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU   73 - HD3   LYS+  74   7.02 +/- 0.90   5.960% *  0.0527% (0.05   1.0 10.00   0.02  42.84) =   0.005%
        T HG3   LYS+ 121 - QD    LYS+  66  16.57 +/- 4.03   1.865% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD2   LYS+ 121   8.49 +/- 1.08   3.954% *  0.0482% (0.49   1.0  1.00   0.02   2.35) =   0.003%
        T QD2   LEU   73 - QD    LYS+  66  10.88 +/- 2.01   2.502% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HD2   LYS+ 121  11.22 +/- 1.57   1.715% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - QD    LYS+  66  10.28 +/- 3.64   6.759% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  21.95 +/- 2.75   0.211% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  19.79 +/- 5.48   1.026% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74  12.45 +/- 2.79   1.525% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  12.33 +/- 1.37   1.040% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  17.08 +/- 4.67   2.079% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.82 +/- 2.81   1.608% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.77 +/- 2.90   0.488% *  0.0075% (0.08   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 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 = 0.997, support = 6.46, residual support = 307.9:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.31 +/- 0.13  79.570% * 80.1274% (1.00  10.0  1.00   6.48 312.54) =  98.204%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.26 +/- 1.14   6.091% * 19.0649% (0.84   1.0  1.00   5.70  55.07) =   1.789%  kept
          HB3   ASN   28 - HD2   LYS+ 121  23.34 +/- 7.23   5.911% *  0.0359% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   GLN   30 - HD2   LYS+ 121  20.72 +/- 5.22   0.257% *  0.5504% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   GLN   30 - HD3   LYS+  74  14.29 +/- 2.58   0.419% *  0.0858% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD    LYS+  66  15.03 +/- 3.93   3.437% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   GLN   30 - QD    LYS+  66  16.33 +/- 2.95   0.418% *  0.0684% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD    LYS+  66  13.02 +/- 2.77   0.725% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  20.35 +/- 5.19   0.798% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  19.64 +/- 2.55   0.208% *  0.0125% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.50 +/- 1.79   1.219% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  18.35 +/- 2.86   0.215% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.74 +/- 2.70   0.261% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  26.28 +/- 3.17   0.067% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  17.67 +/- 3.95   0.403% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 76.1:
    * O T HB2   HIS  122 - HA    HIS  122   2.56 +/- 0.18  99.301% * 99.8210% (1.00  10.0 10.00   3.44  76.08) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  15.94 +/- 1.30   0.466% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.60 +/- 2.95   0.233% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 3.81, residual support = 75.1:
    * O T HB3   HIS  122 - HA    HIS  122   2.78 +/- 0.31  71.747% * 87.8958% (1.00  10.0 10.00   3.84  76.08) =  95.487%  kept
          QE    LYS+ 121 - HA    HIS  122   5.98 +/- 1.76  24.783% * 12.0227% (0.84   1.0  1.00   3.28  55.07) =   4.512%  kept
          HB3   ASN   28 - HA    HIS  122  23.07 +/- 7.68   2.817% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HA    HIS  122  19.62 +/- 5.19   0.563% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  26.77 +/- 2.60   0.090% *  0.0361% (0.41   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.1:
    * O T HA    HIS  122 - HB2   HIS  122   2.56 +/- 0.18  97.527% * 99.8702% (1.00  10.0 10.00   3.44  76.08) =  99.998%  kept
          HA    VAL   41 - HB2   HIS  122  13.20 +/- 5.86   1.969% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB2   HIS  122  18.57 +/- 2.89   0.303% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  20.86 +/- 1.84   0.201% *  0.0249% (0.25   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 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 = 4.41, residual support = 76.0:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  95.884% * 85.9687% (1.00  10.0 10.00   4.41  76.08) =  99.449%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.43 +/- 1.80   3.275% * 13.9516% (0.84   1.0  1.00   3.89  55.07) =   0.551%  kept
          HB3   ASN   28 - HB2   HIS  122  22.18 +/- 7.00   0.631% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  18.57 +/- 4.71   0.173% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  24.94 +/- 2.47   0.037% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.84, residual support = 76.1:
    * O T HA    HIS  122 - HB3   HIS  122   2.78 +/- 0.31  96.843% * 99.8702% (1.00  10.0 10.00   3.84  76.08) =  99.998%  kept
          HA    VAL   41 - HB3   HIS  122  13.37 +/- 5.84   2.370% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB3   HIS  122  18.29 +/- 3.14   0.462% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.37 +/- 2.14   0.325% *  0.0249% (0.25   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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 76.1:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.664% * 99.8210% (1.00  10.0 10.00   4.41  76.08) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.21 +/- 1.78   0.229% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.60 +/- 2.96   0.107% *  0.0895% (0.90   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 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 = 6.12, residual support = 204.8:
    * O T HB2   LEU  123 - HA    LEU  123   2.95 +/- 0.14  88.427% * 98.5720% (1.00  10.0 10.00   6.12 204.81) =  99.985%  kept
        T QD    LYS+  99 - HA    LEU  123  17.61 +/- 7.77   1.636% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+ 106 - HA    LEU  123  19.53 +/- 4.27   0.464% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LEU  123   7.84 +/- 0.38   4.926% *  0.0304% (0.31   1.0  1.00   0.02   2.35) =   0.002%
          QD    LYS+  38 - HA    LEU  123  18.68 +/- 6.89   1.630% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    LEU  123  22.44 +/- 6.61   0.682% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - HA    LEU  123  15.08 +/- 2.63   0.932% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  20.05 +/- 1.78   0.315% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  19.66 +/- 3.13   0.384% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  21.18 +/- 1.48   0.254% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  22.52 +/- 2.27   0.242% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  29.02 +/- 3.35   0.109% *  0.0405% (0.41   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 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 204.8:
    * O T HB3   LEU  123 - HA    LEU  123   2.53 +/- 0.19  86.279% * 99.6484% (1.00  10.0 10.00   5.50 204.81) =  99.985%  kept
          QD    LYS+  33 - HA    LEU  123  19.16 +/- 5.59  11.936% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.014%
          QB    ALA   57 - HA    LEU  123  13.81 +/- 2.43   1.180% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LEU  123  21.37 +/- 0.99   0.152% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  20.35 +/- 3.47   0.216% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  20.39 +/- 2.70   0.237% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.69, support = 5.31, residual support = 202.2:
    * O T HG    LEU  123 - HA    LEU  123   3.27 +/- 0.71  65.571% * 95.8161% (0.69  10.0 10.00   5.37 204.81) =  98.744%  kept
          HG3   PRO   68 - HA    LEU  123  12.89 +/- 8.25  26.224% *  3.0196% (0.92   1.0  1.00   0.47   0.02) =   1.245%  kept
        T HB    ILE   56 - HA    LEU  123  16.19 +/- 1.92   0.841% *  0.2443% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HA    LEU  123  19.90 +/- 5.96   1.334% *  0.1013% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  123  17.07 +/- 6.63   1.036% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HA    LEU  123  19.85 +/- 2.52   0.410% *  0.1210% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    LEU  123  12.56 +/- 4.17   1.990% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  22.49 +/- 6.07   0.337% *  0.1251% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  18.39 +/- 4.04   0.564% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    LEU  123  22.86 +/- 2.99   0.302% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  18.33 +/- 5.55   0.731% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  21.37 +/- 5.98   0.445% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  30.01 +/- 2.28   0.100% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  28.69 +/- 3.42   0.114% *  0.0790% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.93, residual support = 203.5:
    *   T QD1   LEU  123 - HA    LEU  123   3.06 +/- 0.53  75.083% * 96.8262% (1.00 10.00   5.96 204.81) =  99.361%  kept
          QG1   VAL   70 - HA    LEU  123  10.59 +/- 5.72  16.019% *  2.8822% (0.92  1.00   0.64   0.02) =   0.631%  kept
          QD1   LEU   71 - HA    LEU  123  13.08 +/- 4.77   2.443% *  0.0968% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - HA    LEU  123  18.13 +/- 7.88   1.649% *  0.0809% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU  123  12.09 +/- 3.54   3.564% *  0.0330% (0.34  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HA    LEU  123  14.82 +/- 2.76   1.243% *  0.0809% (0.84  1.00   0.02   0.02) =   0.001%
    Distance limit 2.92 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 204.8:
    *   T QD2   LEU  123 - HA    LEU  123   2.67 +/- 0.51  95.310% * 99.9316% (1.00 10.00   4.90 204.81) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   8.96 +/- 0.55   3.295% *  0.0486% (0.49  1.00   0.02   2.35) =   0.002%
          HB3   LEU  104 - HA    LEU  123  18.13 +/- 7.88   1.395% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 204.8:
    * O T HA    LEU  123 - HB2   LEU  123   2.95 +/- 0.14  92.770% * 98.7431% (1.00  10.0 10.00   6.12 204.81) =  99.990%  kept
        T HA    LYS+  99 - HB2   LEU  123  20.16 +/- 6.52   0.667% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   56 - HB2   LEU  123  13.59 +/- 2.07   1.313% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB2   LEU  123  12.33 +/- 1.65   1.682% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  12.87 +/- 2.02   1.549% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  16.25 +/- 5.66   1.028% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB2   LEU  123  21.99 +/- 5.21   0.388% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  20.53 +/- 3.65   0.341% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  24.06 +/- 4.47   0.262% *  0.0337% (0.34   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 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 = 0.686, support = 5.44, residual support = 204.6:
    * O T HG    LEU  123 - HB2   LEU  123   2.57 +/- 0.26  85.143% * 97.1450% (0.69  10.0 10.00   5.45 204.81) =  99.911%  kept
          HG3   PRO   68 - HB2   LEU  123  14.15 +/- 7.78   7.220% *  0.8739% (0.92   1.0  1.00   0.13   0.02) =   0.076%
        T QB    LYS+ 106 - HB2   LEU  123  17.08 +/- 3.59   0.532% *  0.7441% (0.53   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   41 - HB2   LEU  123  18.44 +/- 4.76   0.396% *  0.3932% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HB2   LEU  123  15.87 +/- 6.00   1.200% *  0.1181% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HB2   LEU  123  20.92 +/- 5.28   1.360% *  0.1027% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB2   LEU  123  12.92 +/- 4.21   2.186% *  0.0218% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   LEU  123  18.81 +/- 2.56   0.309% *  0.1227% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  21.70 +/- 5.18   0.285% *  0.1268% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  21.21 +/- 3.28   0.300% *  0.0971% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  20.74 +/- 5.04   0.302% *  0.0581% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  14.59 +/- 2.17   0.602% *  0.0248% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  28.08 +/- 3.30   0.091% *  0.0801% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  28.76 +/- 2.41   0.075% *  0.0915% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 204.8:
    * O T QD1   LEU  123 - HB2   LEU  123   2.35 +/- 0.36  92.043% * 99.6081% (1.00  10.0 10.00   5.98 204.81) =  99.993%  kept
          QG1   VAL   70 - HB2   LEU  123  11.19 +/- 5.35   4.093% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - HB2   LEU  123  14.15 +/- 4.29   1.247% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  17.41 +/- 6.97   0.664% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  11.98 +/- 3.51   1.478% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB2   LEU  123  15.29 +/- 2.74   0.475% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.998, support = 4.99, residual support = 204.0:
    * O T QD2   LEU  123 - HB2   LEU  123   3.00 +/- 0.23  93.809% * 92.7184% (1.00  10.0 10.00   5.01 204.81) =  99.616%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.37 +/- 0.66   4.617% *  7.2633% (0.49   1.0 10.00   0.32   2.35) =   0.384%  kept
          HB3   LEU  104 - HB2   LEU  123  17.41 +/- 6.97   1.574% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.37, residual support = 204.8:
    * O T HA    LEU  123 - HG    LEU  123   3.27 +/- 0.71  86.754% * 99.5102% (0.69  10.0 10.00   5.37 204.81) =  99.991%  kept
          HA    ILE   56 - HG    LEU  123  12.94 +/- 2.23   2.697% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.003%
          HA    PRO   58 - HG    LEU  123  11.71 +/- 2.12   4.268% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU  123  12.59 +/- 1.86   2.763% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HG    LEU  123  16.50 +/- 5.39   1.303% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU  123  20.63 +/- 6.42   0.784% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  22.03 +/- 5.04   0.490% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG    LEU  123  19.96 +/- 4.01   0.556% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  23.42 +/- 4.87   0.385% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 204.8:
    * O T HB2   LEU  123 - HG    LEU  123   2.57 +/- 0.26  92.897% * 96.6014% (0.69  10.0 10.00   5.45 204.81) =  99.986%  kept
        T HG3   PRO   93 - HG    LEU  123  18.11 +/- 2.05   0.340% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HG    LEU  123  22.82 +/- 5.37   0.357% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HG    LEU  123  14.25 +/- 2.21   0.695% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - HG    LEU  123  19.16 +/- 2.05   0.243% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HG    LEU  123   8.27 +/- 0.66   3.127% *  0.0298% (0.21   1.0  1.00   0.02   2.35) =   0.001%
          QD    LYS+  99 - HG    LEU  123  18.42 +/- 6.43   0.816% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  19.62 +/- 5.98   0.458% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  20.71 +/- 2.65   0.291% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  19.32 +/- 2.62   0.314% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  18.80 +/- 3.45   0.375% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  27.75 +/- 3.02   0.088% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 5.13, residual support = 204.7:
    * O T HB3   LEU  123 - HG    LEU  123   2.64 +/- 0.19  89.502% * 97.8109% (0.69  10.0 10.00   5.14 204.81) =  99.925%  kept
        T QD    LYS+  33 - HG    LEU  123  20.05 +/- 5.10   6.109% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.068%
          QB    ALA   57 - HG    LEU  123  12.05 +/- 2.55   3.354% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HG    LEU  123  19.34 +/- 1.68   0.244% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   ARG+  54 - HG    LEU  123  18.20 +/- 2.80   0.486% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG    LEU  123  19.49 +/- 3.20   0.305% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.58, residual support = 204.8:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  93.737% * 99.6081% (0.69  10.0 10.00   5.58 204.81) =  99.995%  kept
          QG1   VAL   70 - HG    LEU  123  10.70 +/- 5.42   3.116% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HG    LEU  123  13.82 +/- 4.29   0.667% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  123  11.15 +/- 3.46   1.735% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU  123  14.85 +/- 3.07   0.409% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  18.41 +/- 6.62   0.336% *  0.0832% (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 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.58, residual support = 204.8:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  98.615% * 99.9316% (0.69  10.0 10.00   4.58 204.81) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.87 +/- 0.74   1.030% *  0.0486% (0.33   1.0  1.00   0.02   2.35) =   0.001%
          HB3   LEU  104 - HG    LEU  123  18.41 +/- 6.62   0.355% *  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 = 5.96, residual support = 204.8:
    *   T HA    LEU  123 - QD1   LEU  123   3.06 +/- 0.53  80.188% * 99.5102% (1.00 10.00   5.96 204.81) =  99.985%  kept
          HA    ILE   56 - QD1   LEU  123   9.88 +/- 1.59   5.071% *  0.0975% (0.98  1.00   0.02   0.02) =   0.006%
          HA    PRO   58 - QD1   LEU  123   9.00 +/- 1.74   5.827% *  0.0373% (0.38  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD1   LEU  123   9.90 +/- 1.04   3.180% *  0.0524% (0.53  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - QD1   LEU  123  13.00 +/- 4.40   2.276% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  16.42 +/- 5.44   1.346% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU  123  17.79 +/- 3.95   0.730% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU  123  16.36 +/- 2.75   0.813% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  19.34 +/- 3.46   0.569% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.997, support = 5.97, residual support = 203.9:
    * O T HB2   LEU  123 - QD1   LEU  123   2.35 +/- 0.36  86.704% * 94.4940% (1.00  10.0 10.00   5.98 204.81) =  99.574%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.78 +/- 0.50   7.088% *  4.8971% (0.31   1.0  1.00   3.36   2.35) =   0.422%  kept
          QD    LYS+  99 - QD1   LEU  123  14.76 +/- 5.31   1.632% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD1   LEU  123  15.96 +/- 4.74   0.920% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU  123  14.27 +/- 1.83   0.434% *  0.0943% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD1   LEU  123  11.36 +/- 1.68   1.022% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  15.30 +/- 1.31   0.389% *  0.0847% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  18.35 +/- 4.56   0.333% *  0.0872% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  15.34 +/- 2.55   0.461% *  0.0611% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  16.43 +/- 2.05   0.313% *  0.0757% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  14.78 +/- 3.30   0.556% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.21 +/- 2.61   0.148% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 204.8:
    * O T HB3   LEU  123 - QD1   LEU  123   3.00 +/- 0.32  84.758% * 99.6484% (1.00  10.0 10.00   5.69 204.81) =  99.985%  kept
          QB    ALA   57 - QD1   LEU  123   9.41 +/- 2.03   8.828% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.009%
          QD    LYS+  33 - QD1   LEU  123  16.27 +/- 3.90   3.701% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 111 - QD1   LEU  123  15.47 +/- 1.16   0.705% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  15.54 +/- 2.50   0.786% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - QD1   LEU  123  14.51 +/- 2.00   1.222% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.57, residual support = 204.5:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  88.266% * 96.6414% (0.69  10.0 10.00   5.58 204.81) =  99.868%  kept
          HG3   PRO   68 - QD1   LEU  123  10.82 +/- 5.92   4.488% *  2.4060% (0.92   1.0  1.00   0.37   0.02) =   0.126%  kept
          HB3   ASP- 105 - QD1   LEU  123  12.93 +/- 5.04   0.932% *  0.1175% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   LEU  123  16.90 +/- 4.08   0.560% *  0.1022% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU  123   9.43 +/- 3.21   2.472% *  0.0217% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD1   LEU  123  14.04 +/- 1.95   0.379% *  0.1220% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   LEU  123  13.76 +/- 3.21   0.483% *  0.0740% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  16.36 +/- 2.60   0.333% *  0.0966% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  17.74 +/- 4.34   0.236% *  0.1262% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  10.80 +/- 1.64   0.934% *  0.0246% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.58 +/- 3.84   0.448% *  0.0391% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.78 +/- 4.33   0.301% *  0.0578% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  22.59 +/- 2.00   0.079% *  0.0910% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  22.25 +/- 2.55   0.089% *  0.0797% (0.57   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 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 = 4.99, residual support = 204.8:
    * O T QD2   LEU  123 - QD1   LEU  123   2.08 +/- 0.04  96.859% * 99.7540% (1.00  10.0 10.00   4.99 204.81) =  99.997%  kept
        T HB3   LEU  104 - QD1   LEU  123  14.44 +/- 5.73   0.777% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD1   LEU  123   7.31 +/- 0.54   2.364% *  0.0486% (0.49   1.0  1.00   0.02   2.35) =   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 = 4.9, residual support = 204.8:
    *   T HA    LEU  123 - QD2   LEU  123   2.67 +/- 0.51  87.513% * 99.5102% (1.00 10.00   4.90 204.81) =  99.991%  kept
          HA    ILE   56 - QD2   LEU  123  11.17 +/- 1.84   2.944% *  0.0975% (0.98  1.00   0.02   0.02) =   0.003%
          HA    PRO   58 - QD2   LEU  123   9.80 +/- 2.09   3.520% *  0.0373% (0.38  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD2   LEU  123  11.28 +/- 1.35   2.162% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD2   LEU  123  17.68 +/- 5.34   0.776% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD2   LEU  123  14.14 +/- 4.72   1.266% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD2   LEU  123  18.61 +/- 4.45   0.549% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD2   LEU  123  16.36 +/- 3.66   0.667% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  19.14 +/- 4.36   0.605% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.01, residual support = 204.8:
    * O T HB2   LEU  123 - QD2   LEU  123   3.00 +/- 0.23  85.311% * 99.0560% (1.00  10.0 10.00   5.01 204.81) =  99.974%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.77 +/- 0.70   5.510% *  0.3057% (0.31   1.0 10.00   0.02   2.35) =   0.020%
          QD    LYS+  38 - QD2   LEU  123  16.66 +/- 5.17   1.632% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU  123  15.57 +/- 1.70   0.731% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU  123  11.59 +/- 1.94   2.012% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU  123  19.63 +/- 4.52   0.709% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  15.78 +/- 5.34   1.400% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  16.78 +/- 1.46   0.546% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD2   LEU  123  16.34 +/- 2.51   0.708% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU  123  17.88 +/- 2.43   0.542% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD2   LEU  123  16.39 +/- 2.86   0.691% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.56 +/- 2.58   0.208% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 204.8:
    * O T HB3   LEU  123 - QD2   LEU  123   2.29 +/- 0.33  93.524% * 99.6484% (1.00  10.0 10.00   4.59 204.81) =  99.994%  kept
          QD    LYS+  33 - QD2   LEU  123  16.74 +/- 4.34   2.516% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   57 - QD2   LEU  123  10.15 +/- 2.24   2.752% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - QD2   LEU  123  16.94 +/- 0.92   0.269% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.42 +/- 2.73   0.392% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  15.25 +/- 2.50   0.546% *  0.0197% (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 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.57, residual support = 204.3:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  78.589% * 97.6043% (0.69  10.0 10.00   4.58 204.81) =  99.765%  kept
          HG3   PRO   68 - QD2   LEU  123  10.67 +/- 6.66  14.507% *  1.2097% (0.92   1.0  1.00   0.18   0.02) =   0.228%  kept
        T HB    ILE   56 - QD2   LEU  123  12.19 +/- 1.84   0.553% *  0.2488% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD2   LEU  123   9.55 +/- 3.75   3.543% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD2   LEU  123  17.42 +/- 4.57   0.729% *  0.1032% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  14.78 +/- 4.62   0.419% *  0.1187% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD2   LEU  123  14.84 +/- 2.42   0.356% *  0.1233% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD2   LEU  123  17.57 +/- 2.94   0.299% *  0.0976% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  15.43 +/- 2.70   0.259% *  0.0748% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  19.42 +/- 4.02   0.145% *  0.1274% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  15.86 +/- 4.05   0.299% *  0.0395% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.43 +/- 3.97   0.174% *  0.0584% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  23.96 +/- 2.15   0.060% *  0.0919% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  23.30 +/- 2.46   0.067% *  0.0804% (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 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 204.8:
    * O T QD1   LEU  123 - QD2   LEU  123   2.08 +/- 0.04  87.928% * 99.6081% (1.00  10.0 10.00   4.99 204.81) =  99.989%  kept
          QG1   VAL   70 - QD2   LEU  123   9.12 +/- 4.50   6.374% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - QD2   LEU  123  11.54 +/- 3.64   1.596% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - QD2   LEU  123   9.52 +/- 2.90   2.866% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU  123  12.30 +/- 2.62   0.829% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU  123  16.05 +/- 5.45   0.406% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 9.01:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  81.582% * 97.4620% (1.00  10.0 10.00   1.00   9.01) =  99.994%  kept
        T HB2   LEU   31 - HA    ALA   34   7.60 +/- 0.40   1.848% *  0.0730% (0.07   1.0 10.00   0.02  11.84) =   0.002%
        T HB2   LEU   31 - HA    ALA  124  25.29 +/- 6.64   0.135% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA  124 - HA    ALA   34  18.49 +/- 4.62   0.381% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  27.87 +/- 2.05   0.038% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  15.49 +/- 2.37   0.265% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.66 +/- 1.74   8.172% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  11.94 +/- 3.72   1.061% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  22.60 +/- 6.09   0.120% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  21.24 +/- 3.65   0.108% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  21.55 +/- 8.47   0.364% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.71 +/- 3.06   0.107% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  21.22 +/- 1.57   0.087% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  18.00 +/- 2.85   0.238% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  22.67 +/- 6.96   0.256% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  21.04 +/- 2.09   0.097% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34  11.97 +/- 5.60   1.500% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  14.65 +/- 2.52   0.436% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  21.34 +/- 4.66   0.117% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.95 +/- 2.60   1.724% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  25.47 +/- 7.42   0.136% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.01 +/- 1.53   0.230% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.41 +/- 3.81   0.030% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  22.62 +/- 3.27   0.093% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  20.37 +/- 2.97   0.151% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  21.78 +/- 4.77   0.132% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  16.89 +/- 5.08   0.309% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  18.28 +/- 2.40   0.146% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  26.40 +/- 3.31   0.055% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  25.04 +/- 4.21   0.081% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 9.01:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  97.946% * 98.8388% (1.00  10.0 10.00   1.00   9.01) =  99.996%  kept
        T HA    ALA   34 - QB    ALA  124  18.49 +/- 4.62   0.456% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASN   28 - QB    ALA  124  22.18 +/- 5.47   0.210% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  115 - QB    ALA  124  11.57 +/- 0.87   0.647% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  20.85 +/- 5.28   0.319% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  17.94 +/- 1.89   0.188% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  21.70 +/- 6.13   0.188% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.00 +/- 2.49   0.047% *  0.0755% (0.76   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 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 204.8:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  98.492% * 97.4949% (1.00  10.0 10.00   5.57 204.81) =  99.990%  kept
        T QD    LYS+  33 - HB2   LEU  123  20.23 +/- 4.97   0.806% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T HD3   LYS+ 111 - HB2   LEU  123  18.98 +/- 0.99   0.080% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HB2   LEU  123  20.43 +/- 3.48   0.083% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  12.95 +/- 2.31   0.440% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  19.37 +/- 2.65   0.100% *  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 = 5.57, residual support = 204.8:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.818% * 96.4170% (0.99  10.0 10.00   5.57 204.81) =  99.995%  kept
        T QD    LYS+  38 - HB3   LEU  123  20.08 +/- 6.48   0.219% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  23.12 +/- 5.89   0.119% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB3   LEU  123  15.38 +/- 2.70   0.199% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  19.90 +/- 1.68   0.072% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.30 +/- 0.59   0.981% *  0.0365% (0.38   1.0  1.00   0.02   2.35) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  29.15 +/- 2.90   0.023% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  18.57 +/- 6.87   0.257% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  19.56 +/- 2.12   0.080% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.06 +/- 2.42   0.059% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  20.60 +/- 2.88   0.073% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  19.48 +/- 3.76   0.099% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 204.8:
    * O T QD1   LEU  123 - HB3   LEU  123   3.00 +/- 0.32  87.844% * 99.6081% (1.00  10.0 10.00   5.69 204.81) =  99.989%  kept
          QG1   VAL   70 - HB3   LEU  123  11.64 +/- 5.56   6.312% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          QD1   LEU   71 - HB3   LEU  123  14.45 +/- 4.50   1.352% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HB3   LEU  123  15.59 +/- 3.01   1.078% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  12.62 +/- 3.62   2.440% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  18.63 +/- 7.16   0.975% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.59, residual support = 204.8:
    * O T QD2   LEU  123 - HB3   LEU  123   2.29 +/- 0.33  97.305% * 99.9316% (1.00  10.0 10.00   4.59 204.81) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.62 +/- 0.74   2.121% *  0.0486% (0.49   1.0  1.00   0.02   2.35) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  18.63 +/- 7.16   0.574% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.691, support = 5.03, residual support = 200.7:
    * O T HG    LEU  123 - HB3   LEU  123   2.64 +/- 0.19  75.278% * 89.2301% (0.69  10.0 10.00   5.14 204.81) =  97.975%  kept
        T HG3   PRO   68 - HB3   LEU  123  14.05 +/- 8.27  17.034% *  8.0273% (0.92   1.0 10.00   0.13   0.02) =   1.994%  kept
        T QB    LYS+  33 - HB3   LEU  123  21.34 +/- 5.69   1.674% *  0.9433% (0.73   1.0 10.00   0.02   0.02) =   0.023%
        T HG2   ARG+  54 - HB3   LEU  123  19.23 +/- 2.47   0.251% *  1.1268% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HB3   LEU  123  17.23 +/- 6.03   0.691% *  0.1085% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123  12.94 +/- 4.62   3.206% *  0.0200% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HB3   LEU  123  18.29 +/- 3.58   0.343% *  0.0683% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  22.97 +/- 5.32   0.198% *  0.1165% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  21.95 +/- 3.28   0.204% *  0.0892% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  21.96 +/- 5.22   0.222% *  0.0534% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.36 +/- 5.02   0.310% *  0.0361% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  15.42 +/- 1.99   0.454% *  0.0227% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  28.82 +/- 3.37   0.075% *  0.0735% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  29.66 +/- 2.37   0.060% *  0.0840% (0.65   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 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 204.8:
    * O T HA    LEU  123 - HB3   LEU  123   2.53 +/- 0.19  95.813% * 99.5102% (1.00  10.0 10.00   5.50 204.81) =  99.997%  kept
          HA    ILE   56 - HB3   LEU  123  14.33 +/- 2.01   0.673% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB3   LEU  123  13.37 +/- 1.59   0.785% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  21.15 +/- 6.87   0.443% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  17.11 +/- 5.87   0.680% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  13.26 +/- 2.18   0.878% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  22.65 +/- 5.54   0.283% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  20.60 +/- 4.12   0.253% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  23.99 +/- 4.95   0.192% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.976, support = 5.64, residual support = 312.5:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  85.555% * 76.1572% (1.00  10.0   5.59 312.54) =  96.476%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.82 +/- 0.43  10.119% * 23.5057% (0.31  10.0   7.04 312.54) =   3.522%  kept
          HG    LEU  104 - HD3   LYS+ 121  14.17 +/- 7.55   1.688% *  0.0235% (0.31   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HD3   LYS+ 121  19.40 +/- 5.59   0.455% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.40 +/- 4.65   0.396% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  16.64 +/- 4.15   0.483% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  12.95 +/- 4.97   0.918% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.91 +/- 3.77   0.123% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  15.40 +/- 2.97   0.194% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  21.40 +/- 3.32   0.069% *  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 = 312.5:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.49 +/- 0.28  91.493% * 99.7211% (1.00  10.0   6.28 312.54) =  99.994%  kept
          QG2   VAL  107 - HD3   LYS+ 121  10.30 +/- 3.04   3.450% *  0.0921% (0.92   1.0   0.02   0.02) =   0.003%
          QB    ALA   20 - HD3   LYS+ 121  18.40 +/- 5.02   1.364% *  0.0799% (0.80   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD3   LYS+ 121   9.20 +/- 0.69   2.072% *  0.0308% (0.31   1.0   0.02   7.30) =   0.001%
          HG13  ILE  103 - HD3   LYS+ 121  16.70 +/- 6.35   0.984% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LEU   31 - HD3   LYS+ 121  19.79 +/- 5.95   0.638% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 312.5:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.64 +/- 0.25  94.100% * 98.9917% (1.00  10.0 10.00   5.98 312.54) =  99.986%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.08 +/- 1.48   1.166% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU   73 - HD3   LYS+ 121  14.88 +/- 3.73   1.296% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  123 - HD3   LYS+ 121   9.37 +/- 0.98   2.691% *  0.0482% (0.49   1.0  1.00   0.02   2.35) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  20.05 +/- 5.86   0.747% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.11, residual support = 312.5:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.39 +/- 0.25  81.676% * 99.2313% (1.00  10.0  1.00   7.11 312.54) =  99.983%  kept
          QD    LYS+  38 - HD3   LYS+ 121  16.97 +/- 6.10   4.493% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - HD3   LYS+ 121  17.35 +/- 4.11   3.880% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.005%
        T HD3   LYS+ 111 - HD3   LYS+ 121  17.56 +/- 3.06   0.767% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU  123 - HD3   LYS+ 121   8.96 +/- 0.85   5.054% *  0.0306% (0.31   1.0  1.00   0.02   2.35) =   0.002%
          QD    LYS+ 102 - HD3   LYS+ 121  17.92 +/- 6.03   1.372% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD3   LYS+ 121  20.66 +/- 3.36   0.667% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  14.61 +/- 1.65   1.212% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  26.71 +/- 4.35   0.285% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.45 +/- 2.00   0.594% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.998, support = 5.74, residual support = 309.7:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.40 +/- 0.15  87.645% * 83.7451% (1.00  10.0   5.75 312.54) =  98.897%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.12 +/- 1.31   5.053% * 16.1470% (0.84   1.0   4.62  55.07) =   1.099%  kept
          HB3   ASN   28 - HD3   LYS+ 121  23.54 +/- 7.53   6.881% *  0.0375% (0.45   1.0   0.02   0.02) =   0.003%
          HG2   GLN   30 - HD3   LYS+ 121  20.95 +/- 5.68   0.348% *  0.0575% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  27.15 +/- 3.57   0.073% *  0.0129% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 6.6, residual support = 305.3:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.37 +/- 0.66  55.653% * 88.1708% (1.00 10.00   6.68 312.54) =  97.669%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.77 +/- 0.80  10.308% * 11.0996% (0.76  1.00   3.29   2.62) =   2.277%  kept
          QB    SER  117 - HD3   LYS+ 121   7.05 +/- 2.13  23.620% *  0.0736% (0.84  1.00   0.02   0.02) =   0.035%
        T HA    LYS+  65 - HD3   LYS+ 121  18.34 +/- 3.62   1.818% *  0.3008% (0.34 10.00   0.02   0.02) =   0.011%
          HB    THR   94 - HD3   LYS+ 121  18.10 +/- 3.23   1.392% *  0.0874% (0.99  1.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HD3   LYS+ 121  13.24 +/- 2.24   4.151% *  0.0245% (0.28  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HD3   LYS+ 121  22.72 +/- 3.45   0.647% *  0.0834% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD3   LYS+ 121  19.93 +/- 4.00   1.481% *  0.0362% (0.41  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+ 121  24.13 +/- 3.23   0.596% *  0.0874% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HD3   LYS+ 121  27.79 +/- 4.29   0.335% *  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 = 312.5:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.74 +/- 0.22  86.061% * 99.7211% (0.84  10.0 10.00   7.69 312.54) =  99.989%  kept
          QG2   VAL  107 - HB3   LYS+ 121  10.00 +/- 2.71   7.455% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.008%
          HG13  ILE  119 - HB3   LYS+ 121   8.17 +/- 0.86   3.817% *  0.0308% (0.26   1.0  1.00   0.02   7.30) =   0.001%
          QB    ALA   20 - HB3   LYS+ 121  17.82 +/- 4.43   0.912% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB3   LYS+ 121  16.41 +/- 6.44   1.233% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   LYS+ 121  19.50 +/- 5.92   0.521% *  0.0277% (0.23   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 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.02, residual support = 312.5:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.48 +/- 0.25  94.495% * 99.5295% (0.84  10.0 10.00   7.02 312.54) =  99.995%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  14.42 +/- 3.09   0.857% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HB3   LYS+ 121   8.21 +/- 0.59   3.004% *  0.0484% (0.41   1.0  1.00   0.02   2.35) =   0.002%
          QD1   ILE   56 - HB3   LYS+ 121  11.66 +/- 1.35   1.130% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  19.72 +/- 5.66   0.514% *  0.0222% (0.19   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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.75, residual support = 312.5:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  96.580% * 97.1314% (0.84  10.0 10.00   8.76 312.54) =  99.988%  kept
        T QD    LYS+  65 - HB3   LYS+ 121  16.64 +/- 3.41   0.651% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T QD    LYS+  38 - HB3   LYS+ 121  16.72 +/- 5.89   0.321% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HB3   LYS+ 121  17.67 +/- 6.23   0.318% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HB3   LYS+ 121   7.22 +/- 0.71   1.544% *  0.0300% (0.26   1.0  1.00   0.02   2.35) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  17.49 +/- 1.99   0.111% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  14.09 +/- 2.00   0.256% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.96 +/- 2.85   0.080% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  26.18 +/- 4.03   0.038% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  18.01 +/- 1.72   0.101% *  0.0331% (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 1670 (2.75, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.805, support = 6.68, residual support = 256.4:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.69 +/- 0.57  66.314% * 59.1207% (0.84  1.00   6.99 312.54) =  78.193%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.73 +/- 1.03  27.565% * 39.6149% (0.70  1.00   5.60  55.07) =  21.779%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  20.54 +/- 5.18   0.891% *  1.1625% (0.57 10.00   0.02   0.02) =   0.021%
          HB3   ASN   28 - HB3   LYS+ 121  23.42 +/- 7.26   4.971% *  0.0759% (0.37  1.00   0.02   0.02) =   0.008%
          HB3   ASP-  78 - HB3   LYS+ 121  26.40 +/- 3.12   0.259% *  0.0261% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 307.6:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.62 +/- 0.23  83.017% * 84.3850% (0.84  10.0 10.00   8.22 312.54) =  98.422%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.07 +/- 0.34   7.480% * 14.9167% (0.64   1.0  1.00   4.63   2.62) =   1.568%  kept
          QB    SER  117 - HB3   LYS+ 121   6.88 +/- 0.98   6.689% *  0.0705% (0.70   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  65 - HB3   LYS+ 121  17.48 +/- 2.86   0.479% *  0.2878% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB3   LYS+ 121  17.70 +/- 2.69   0.383% *  0.0836% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.43 +/- 1.76   1.008% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  22.22 +/- 3.67   0.239% *  0.0798% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.09 +/- 3.97   0.459% *  0.0347% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  23.69 +/- 2.69   0.135% *  0.0836% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  27.39 +/- 4.10   0.110% *  0.0347% (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 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.785, support = 8.6, residual support = 312.5:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  66.714% * 55.3563% (0.84  10.0 10.00   8.76 312.54) =  73.512%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.36 +/- 0.34  31.028% * 42.8727% (0.65  10.0 10.00   8.16 312.54) =  26.480%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  15.17 +/- 3.63   0.313% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  65 - HB2   LYS+ 121  17.02 +/- 3.62   0.210% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HB2   LYS+ 121  14.04 +/- 7.75   1.275% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  20.18 +/- 2.60   0.052% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.82 +/- 2.74   0.062% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  14.74 +/- 2.51   0.148% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  19.10 +/- 4.75   0.198% *  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 = 0.768, support = 8.01, residual support = 307.2:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.62 +/- 0.23  40.308% * 52.0655% (0.84  10.0 10.00   8.22 312.54) =  73.675%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.89 +/- 0.62  16.541% * 40.3240% (0.65   1.0 10.00   7.67 312.54) =  23.416%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.14 +/- 0.67  28.778% *  2.2150% (0.04  10.0 10.00   5.39 160.32) =   2.238%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.01 +/- 1.20   4.923% *  3.7757% (0.06   1.0 10.00   5.70  31.47) =   0.653%  kept
        T QD    LYS+  66 - HA    LYS+ 121  16.13 +/- 3.64   0.317% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  65 - HA    LYS+ 121  18.41 +/- 3.76   0.341% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HA    LYS+ 121  15.28 +/- 8.09   1.835% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   LYS+  74 - HA    LYS+  65   8.50 +/- 3.41   2.781% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+  74 - HA    LYS+ 121  22.20 +/- 2.68   0.075% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+ 121  16.23 +/- 1.73   0.181% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.48 +/- 2.86   0.239% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  20.41 +/- 4.87   0.239% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.46 +/- 3.11   0.216% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.70 +/- 2.75   1.347% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.85 +/- 2.23   1.542% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.83 +/- 2.78   0.089% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.08 +/- 2.61   0.135% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  20.06 +/- 3.50   0.110% *  0.0033% (0.05   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 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.973, support = 6.64, residual support = 308.3:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.37 +/- 0.66  21.237% * 97.6597% (1.00   1.0 10.00   6.68 312.54) =  97.268%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.95 +/- 0.56  47.644% *  1.2130% (0.01  10.0 10.00   5.38 160.32) =   2.710%  kept
        T HG3   LYS+  33 - HA    LYS+ 121  21.66 +/- 5.15   0.330% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HA    LYS+ 121  18.66 +/- 3.35   0.374% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          QB    LEU   98 - HA    LYS+ 121  16.43 +/- 5.61   0.810% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QB    ALA   61 - HA    LYS+ 121  14.10 +/- 2.21   0.844% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  18.34 +/- 3.62   0.393% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    LYS+ 121  15.64 +/- 1.46   0.407% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+  65   9.30 +/- 2.05   3.349% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  13.95 +/- 4.55   1.018% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   5.91 +/- 1.13   9.553% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+ 121  19.31 +/- 4.10   0.284% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  21.95 +/- 2.76   0.163% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LYS+ 121  22.23 +/- 3.98   0.182% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  16.03 +/- 3.81   0.512% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  28.13 +/- 3.86   0.078% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.83 +/- 1.04   5.496% *  0.0012% (0.01   1.0  1.00   0.02   0.33) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  16.73 +/- 3.03   0.395% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  12.73 +/- 4.62   1.485% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.71 +/- 3.98   0.353% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  28.42 +/- 4.94   0.086% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  17.94 +/- 3.89   0.641% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  18.30 +/- 4.39   0.697% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.39 +/- 2.82   0.382% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  10.64 +/- 1.74   1.544% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.34 +/- 1.59   1.102% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  17.25 +/- 2.78   0.330% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.09 +/- 2.44   0.312% *  0.0032% (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 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 = 6.21, residual support = 223.4:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  86.212% * 92.4967% (1.00  10.0 10.00   6.22 223.90) =  99.737%  kept
          QB    GLU- 114 - HB3   LEU  115   5.51 +/- 0.62   3.218% *  6.2925% (0.31   1.0  1.00   4.41  21.49) =   0.253%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.19 +/- 2.10   3.484% *  0.0869% (0.09   1.0 10.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - HB3   LEU  115   9.31 +/- 2.49   2.615% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   67 - HB3   LEU  115  14.38 +/- 2.36   0.196% *  0.7407% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU  115 - HB3   LEU   40  15.40 +/- 3.56   0.509% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB3   LEU  115  12.74 +/- 2.17   0.335% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  17.91 +/- 3.91   0.146% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.09 +/- 3.40   0.138% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.40 +/- 4.11   0.979% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.19 +/- 2.76   0.936% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.89 +/- 2.78   0.097% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  18.74 +/- 2.98   0.291% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  10.78 +/- 2.43   0.584% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  15.83 +/- 2.42   0.201% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  22.12 +/- 2.82   0.058% *  0.0030% (0.03   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 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 = 7.18, residual support = 238.2:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  96.680% * 98.3538% (1.00  10.0 10.00   7.18 238.20) =  99.996%  kept
        T HB    VAL   42 - HB3   LYS+ 112  16.20 +/- 3.00   0.214% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HB3   LYS+ 112  10.00 +/- 2.48   1.097% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.11 +/- 2.66   0.207% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.36 +/- 3.05   0.199% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  19.90 +/- 4.53   0.120% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  13.47 +/- 3.07   0.707% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  14.95 +/- 2.14   0.305% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  25.55 +/- 3.73   0.059% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.32 +/- 2.49   0.103% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  18.50 +/- 2.56   0.143% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  27.40 +/- 4.29   0.036% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.03 +/- 3.07   0.093% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  27.80 +/- 5.13   0.038% *  0.0517% (0.53   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 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.911, support = 4.53, residual support = 238.0:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  79.000% * 54.1507% (0.95  10.0   4.32 238.20) =  84.516%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.10 +/- 0.47  18.812% * 41.3835% (0.72  10.0   5.65 238.20) =  15.381%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.18 +/- 1.60   1.192% *  4.3520% (0.36   1.0   4.28  28.92) =   0.102%  kept
          QG2   THR   94 - HD3   LYS+ 112  11.82 +/- 2.66   0.846% *  0.0434% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   LEU   71 - HD3   LYS+ 112  23.11 +/- 3.73   0.048% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  18.80 +/- 3.08   0.101% *  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 = 6.79, residual support = 311.6:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  72.859% * 96.6927% (1.00  10.0   6.85 314.81) =  98.977%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.67 +/- 1.53  26.549% *  2.7413% (0.57   1.0   1.00   0.11) =   1.022%  kept
          HB    ILE  119 - HB3   LYS+ 111  11.45 +/- 1.55   0.297% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  25.96 +/- 3.52   0.033% *  0.0958% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  25.76 +/- 3.65   0.029% *  0.0958% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.82 +/- 2.49   0.032% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.01 +/- 5.02   0.026% *  0.0867% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.86 +/- 2.96   0.035% *  0.0471% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.53 +/- 3.19   0.041% *  0.0398% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.75 +/- 3.59   0.029% *  0.0471% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  25.10 +/- 3.60   0.035% *  0.0269% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.43 +/- 3.49   0.035% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 4.59, residual support = 60.0:
    * O T QG1   VAL  107 - HA    VAL  107   2.34 +/- 0.37  90.669% * 99.7711% (1.00  10.0 10.00   4.59  60.04) =  99.994%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.29 +/- 3.06   5.849% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.005%
          QG1   VAL   24 - HA    VAL  107  18.56 +/- 4.97   0.628% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  11.15 +/- 3.05   1.213% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  17.47 +/- 4.68   0.649% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  13.19 +/- 2.79   0.674% *  0.0154% (0.15   1.0  1.00   0.02   0.13) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.33 +/- 3.77   0.318% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 60.0:
    * O T QG2   VAL  107 - HA    VAL  107   2.52 +/- 0.28  91.191% * 99.7501% (1.00  10.0 10.00   3.62  60.04) =  99.994%  kept
          HG2   LYS+ 121 - HA    VAL  107  13.45 +/- 5.23   3.997% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HA    VAL  107  10.66 +/- 1.24   1.495% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  11.15 +/- 3.05   2.727% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.92 +/- 2.43   0.300% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.33 +/- 3.77   0.289% *  0.0135% (0.14   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 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 3.3, residual support = 41.0:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.93 +/- 0.09  60.433% * 83.9794% (1.00  10.0 10.00   3.24  41.97) =  94.516%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.43 +/- 0.39  19.061% * 15.3857% (0.87   1.0  1.00   4.22  23.85) =   5.462%  kept
          HB    ILE  103 - HA    ASP- 105   5.93 +/- 0.64   8.137% *  0.0832% (0.99   1.0  1.00   0.02   3.98) =   0.013%
          QB    LYS+  81 - HA    ASP- 105  21.59 +/- 5.14   4.023% *  0.0753% (0.90   1.0  1.00   0.02   0.02) =   0.006%
          HG12  ILE  103 - HA    ASP- 105   6.82 +/- 0.52   5.086% *  0.0130% (0.15   1.0  1.00   0.02   3.98) =   0.001%
          HG2   ARG+  54 - HA    ASP- 105  22.13 +/- 3.74   0.338% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HA    ASP- 105  20.49 +/- 4.47   0.896% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.39 +/- 2.33   0.238% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  20.96 +/- 4.01   0.235% *  0.0823% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  16.46 +/- 2.07   0.415% *  0.0377% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  22.73 +/- 2.81   0.158% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  18.82 +/- 5.01   0.378% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  18.33 +/- 2.26   0.282% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  19.20 +/- 3.67   0.321% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.16 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 = 3.4, residual support = 42.0:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  97.378% * 99.5527% (0.95  10.0 10.00   3.40  41.97) =  99.998%  kept
          HB2   MET   96 - HB3   ASP- 105   8.84 +/- 1.14   0.980% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   ASP- 105  20.53 +/- 3.89   0.316% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  13.52 +/- 1.61   0.267% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  12.51 +/- 4.52   0.523% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.85 +/- 1.65   0.102% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  14.97 +/- 3.78   0.255% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.22 +/- 4.49   0.094% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  19.37 +/- 2.92   0.086% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.99, residual support = 140.9:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  48.697% * 66.9933% (1.00  10.0  1.00   4.89 134.86) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  48.697% * 32.5339% (0.49  10.0  1.00   5.21 153.21) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  12.73 +/- 3.18   0.222% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  19.28 +/- 4.84   0.191% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65   9.22 +/- 4.42   1.355% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.73 +/- 1.91   0.210% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.62 +/- 2.84   0.034% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  18.70 +/- 3.99   0.060% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.49 +/- 3.13   0.067% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.50 +/- 2.12   0.029% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  23.37 +/- 4.15   0.028% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.94 +/- 2.98   0.036% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  19.27 +/- 3.83   0.065% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.52 +/- 4.01   0.033% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  19.05 +/- 5.28   0.057% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.78 +/- 4.94   0.043% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  17.13 +/- 2.35   0.065% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.52 +/- 2.83   0.067% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  27.19 +/- 3.46   0.016% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.63 +/- 4.10   0.028% *  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 = 137.9:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  95.518% * 81.2232% (0.80  10.0 10.00   4.30 138.60) =  99.376%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.07 +/- 0.69   2.657% * 18.2626% (0.73   1.0  1.00   4.96  23.01) =   0.621%  kept
          HB    VAL   41 - HG13  ILE  103   9.49 +/- 2.70   1.189% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG13  ILE  103  18.87 +/- 3.32   0.125% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  17.14 +/- 1.56   0.111% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  17.11 +/- 4.05   0.152% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.60 +/- 2.38   0.094% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  21.73 +/- 4.78   0.078% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.18 +/- 3.84   0.076% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.64, residual support = 186.9:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  95.781% * 99.4757% (0.80  10.0   5.64 186.86) =  99.998%  kept
          HG2   LYS+  65 - HB3   LYS+  74  10.66 +/- 2.86   1.013% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HB3   LYS+  74  13.64 +/- 3.40   0.493% *  0.1114% (0.90   1.0   0.02   0.02) =   0.001%
          QG2   THR   26 - HB3   LYS+  74  10.14 +/- 3.13   0.805% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HB3   LYS+  74  10.50 +/- 2.32   0.733% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  13.02 +/- 3.24   0.711% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.59 +/- 3.17   0.125% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.65 +/- 2.15   0.091% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.31 +/- 3.32   0.107% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.99 +/- 3.04   0.140% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 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 = 5.13, residual support = 215.3:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.227% * 99.3078% (1.00  10.0 10.00   5.13 215.30) =  99.999%  kept
        T HG3   LYS+  99 - HG13  ILE   89  24.69 +/- 5.22   0.055% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  17.07 +/- 3.62   0.175% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  18.41 +/- 3.55   0.239% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  16.31 +/- 2.06   0.150% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  24.58 +/- 3.64   0.045% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  24.11 +/- 3.26   0.047% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  24.95 +/- 5.78   0.063% *  0.0248% (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 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 = 24.1:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.02  93.463% * 99.6237% (1.00  10.0 10.00   2.81  24.13) =  99.997%  kept
          HA1   GLY   51 - QB    ALA   57   8.49 +/- 1.47   1.880% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - QB    ALA   57   8.80 +/- 1.42   1.639% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  11.82 +/- 2.91   1.210% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  12.42 +/- 1.92   0.671% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.98 +/- 3.25   0.345% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  18.76 +/- 1.73   0.158% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.43 +/- 2.42   0.365% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.45 +/- 2.66   0.174% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  25.39 +/- 5.07   0.095% *  0.0154% (0.15   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 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 = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.702% * 97.5263% (1.00  10.0 10.00   2.81  10.20) =  99.998%  kept
        T HA    SER   85 - HA2   GLY   51  19.91 +/- 3.65   0.095% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA2   GLY   51  10.40 +/- 0.78   0.499% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  25.83 +/- 4.09   0.052% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  29.30 +/- 2.21   0.023% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  20.91 +/- 2.74   0.084% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  15.06 +/- 3.24   0.244% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  19.93 +/- 4.30   0.104% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.36 +/- 1.78   0.180% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  36.78 +/- 6.42   0.017% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 64.9:
    * O   QG2   VAL   24 - QG1   VAL   24   2.03 +/- 0.06  97.102% * 99.5951% (1.00  10.0  1.00   2.70  64.94) =  99.995%  kept
        T QG1   VAL  107 - QG1   VAL   24  15.08 +/- 4.22   1.687% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   63 - QG1   VAL   24  16.27 +/- 3.47   1.033% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  20.93 +/- 4.79   0.178% *  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 = 6.58, residual support = 159.9:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  97.519% * 99.4743% (1.00  10.0 10.00   6.58 159.91) =  99.999%  kept
          HB3   ASN   28 - HG3   GLN   30   8.43 +/- 0.91   1.014% *  0.0918% (0.92   1.0  1.00   0.02  16.37) =   0.001%
        T HG2   GLN   30 - HB2   PRO   93  19.95 +/- 3.40   0.166% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  19.11 +/- 4.49   0.152% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  18.65 +/- 4.51   0.222% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.27 +/- 3.78   0.036% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  13.99 +/- 2.70   0.299% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  21.55 +/- 3.67   0.163% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  17.20 +/- 1.82   0.115% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.38 +/- 1.86   0.138% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  27.43 +/- 5.02   0.040% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.54 +/- 1.97   0.135% *  0.0026% (0.03   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 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 = 0.998, support = 4.55, residual support = 152.7:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.77 +/- 0.42  71.143% * 96.4730% (1.00  10.0   4.56 153.21) =  99.659%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.49 +/- 1.52   8.557% *  2.6618% (0.31   1.0   1.78   0.39) =   0.331%  kept
          HB2   ASN   28 - HG2   LYS+  33   9.41 +/- 1.14   2.300% *  0.0946% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HG2   LYS+  33   8.31 +/- 0.78   3.298% *  0.0329% (0.34   1.0   0.02   4.80) =   0.002%
          HB2   ASP-  86 - QG    LYS+  81   9.06 +/- 0.93   2.836% *  0.0317% (0.33   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.25 +/- 1.46   5.093% *  0.0103% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - QG    LYS+  81  20.03 +/- 5.91   0.689% *  0.0453% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  16.88 +/- 4.24   0.749% *  0.0414% (0.43   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  17.90 +/- 2.87   0.305% *  0.0865% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  17.84 +/- 6.54   0.532% *  0.0402% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  15.35 +/- 3.25   1.176% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  21.65 +/- 4.80   0.294% *  0.0574% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  19.89 +/- 2.79   0.275% *  0.0525% (0.54   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  26.20 +/- 7.24   0.206% *  0.0663% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.42 +/- 2.19   0.231% *  0.0585% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  21.50 +/- 3.88   0.257% *  0.0462% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  20.95 +/- 4.02   0.277% *  0.0378% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.50 +/- 2.96   0.158% *  0.0624% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.26 +/- 3.09   0.331% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  18.84 +/- 3.93   0.427% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  21.08 +/- 2.96   0.243% *  0.0200% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.82 +/- 4.44   0.312% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  24.74 +/- 4.34   0.159% *  0.0158% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  24.09 +/- 3.77   0.155% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 153.2:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.29 +/- 0.10  98.535% * 98.2551% (1.00  10.0 10.00   5.64 153.21) =  99.997%  kept
        T QG    LYS+  81 - QB    LYS+  33  21.60 +/- 3.51   0.164% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 106 - QB    LYS+  33  20.03 +/- 2.09   0.161% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  33  16.31 +/- 1.73   0.324% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  16.12 +/- 3.61   0.405% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  18.87 +/- 5.06   0.331% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  25.23 +/- 2.86   0.080% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.979, support = 4.82, residual support = 217.1:
    *     QE    LYS+  38 - HA    LYS+  38   3.93 +/- 1.04  41.933% * 93.8662% (1.00  1.00   4.84 221.19) =  97.795%  kept
          QE    LYS+  99 - HA    GLU- 100   5.92 +/- 1.07  18.810% *  4.3855% (0.05  1.00   4.17  38.37) =   2.050%  kept
          QE    LYS+  99 - HA    LYS+  38   9.99 +/- 4.89  10.921% *  0.3479% (0.90  1.00   0.02   0.02) =   0.094%
        T HB3   TRP   27 - HA    LYS+  38  14.35 +/- 1.32   1.151% *  0.8636% (0.22 10.00   0.02   0.02) =   0.025%
          QE    LYS+ 102 - HA    LYS+  38  14.54 +/- 4.45   2.316% *  0.3581% (0.92  1.00   0.02   0.02) =   0.021%
          QE    LYS+  38 - HA    GLU- 100   9.80 +/- 5.63  14.433% *  0.0234% (0.06  1.00   0.02   0.02) =   0.008%
          QE    LYS+ 102 - HA    GLU- 100   8.88 +/- 1.14   5.372% *  0.0216% (0.06  1.00   0.02   0.02) =   0.003%
          HB2   PHE   97 - HA    LYS+  38  14.52 +/- 1.93   1.195% *  0.0768% (0.20  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    GLU- 100  16.04 +/- 5.35   1.713% *  0.0522% (0.01 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    GLU- 100  11.18 +/- 0.73   2.156% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 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 = 0.912, support = 4.66, residual support = 157.5:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.51 +/- 0.51  50.713% * 54.8141% (1.00  10.0 10.00   4.35 160.32) =  61.099%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.76 +/- 0.58  41.676% * 42.4513% (0.77  10.0 10.00   5.14 153.21) =  38.887%  kept
        T QE    LYS+  33 - HG3   LYS+  65  16.88 +/- 3.16   0.336% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HG3   LYS+  33  17.88 +/- 2.94   0.239% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+ 102  18.36 +/- 4.71   0.213% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG3   LYS+  33   7.54 +/- 0.42   2.373% *  0.0287% (0.52   1.0  1.00   0.02   4.80) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33  10.07 +/- 1.30   1.090% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  19.49 +/- 2.28   0.147% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  24.70 +/- 2.81   0.076% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.68 +/- 2.36   0.132% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  65  20.19 +/- 3.98   0.271% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  16.97 +/- 6.17   0.398% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  17.81 +/- 6.29   0.478% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  23.12 +/- 8.24   0.240% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  21.14 +/- 5.06   0.213% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  26.49 +/- 7.52   0.151% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.83 +/- 6.01   0.153% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.02 +/- 4.14   0.283% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  22.81 +/- 4.49   0.096% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.82 +/- 3.69   0.320% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.90 +/- 4.74   0.117% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  20.21 +/- 2.94   0.125% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.87 +/- 2.99   0.081% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  26.97 +/- 2.96   0.080% *  0.0167% (0.31   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 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 = 4.4, residual support = 91.5:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.30 +/- 0.07  96.454% * 99.1144% (1.00  10.0 10.00   4.40  91.53) =  99.998%  kept
        T QG    GLN   90 - HG3   GLU-  29  26.42 +/- 4.53   0.089% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  15.54 +/- 3.47   1.134% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  18.80 +/- 6.61   0.580% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.13 +/- 1.59   0.385% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  24.97 +/- 5.14   0.172% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  15.95 +/- 3.09   0.582% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.09 +/- 4.81   0.157% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  20.05 +/- 4.44   0.213% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.82 +/- 3.50   0.078% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  20.03 +/- 1.82   0.156% *  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 = 4.11, residual support = 91.5:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.546% * 99.6674% (1.00  10.0 10.00   4.11  91.53) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  26.48 +/- 8.28   0.145% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  23.39 +/- 4.79   0.079% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  22.56 +/- 3.24   0.055% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  26.28 +/- 5.02   0.047% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  20.54 +/- 4.19   0.080% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.25 +/- 3.23   0.047% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.2:
    * O T QG    GLN   17 - HB3   GLN   17   2.36 +/- 0.09  96.020% * 98.5118% (0.76  10.0 10.00   4.31  84.19) =  99.970%  kept
        T HB    VAL   70 - HB3   GLN   17  10.99 +/- 4.96   2.480% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.028%
          HB2   GLU-  25 - HB3   GLN   17  17.75 +/- 3.50   0.497% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  19.74 +/- 3.81   0.260% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  20.73 +/- 6.26   0.301% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  19.30 +/- 6.83   0.311% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  22.24 +/- 2.56   0.130% *  0.0440% (0.34   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 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 = 84.0:
    * O T HA    GLN   17 - HB3   GLN   17   2.77 +/- 0.25  76.016% * 98.6730% (1.00  10.0 10.00   4.00  84.19) =  99.791%  kept
          HA    GLU-  15 - HB3   GLN   17   5.04 +/- 0.71  16.490% *  0.9258% (0.57   1.0  1.00   0.33   0.02) =   0.203%  kept
          HA    SER   13 - HB3   GLN   17   9.40 +/- 1.66   3.012% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   37 - HB3   GLN   17  14.15 +/- 3.52   1.530% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - HB3   GLN   17  18.36 +/- 3.66   1.238% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  15.67 +/- 3.84   0.572% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  14.14 +/- 3.19   0.918% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  21.95 +/- 4.84   0.226% *  0.0978% (0.99   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 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 83.7:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  91.886% * 77.7346% (1.00  10.0 10.00   4.14  84.19) =  99.446%  kept
        T QB    GLU-  15 - HB3   GLN   17   5.93 +/- 0.81   3.172% *  8.2340% (1.00   1.0 10.00   0.21   0.02) =   0.364%  kept
        T HB3   PRO   68 - HB3   GLN   17  12.29 +/- 6.48   0.992% * 13.3845% (0.80   1.0 10.00   0.43   0.02) =   0.185%  kept
        T HG3   GLN   30 - HB3   GLN   17  11.29 +/- 2.28   0.974% *  0.3196% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HB3   GLN   17   7.87 +/- 0.84   1.234% *  0.0440% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB3   GLN   17  13.14 +/- 5.89   0.526% *  0.0378% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  18.27 +/- 3.73   0.215% *  0.0735% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  11.57 +/- 2.40   0.730% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  26.93 +/- 3.32   0.032% *  0.0770% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.36 +/- 1.92   0.048% *  0.0503% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.31 +/- 5.98   0.108% *  0.0173% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  19.65 +/- 2.95   0.084% *  0.0136% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.877, support = 3.28, residual support = 45.7:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.69 +/- 0.21  58.289% * 72.0932% (1.00  10.0 10.00   3.10  45.24) =  80.388%  kept
      O T HG3   MET   11 - HA    MET   11   3.32 +/- 0.63  38.265% * 26.7625% (0.37  10.0 10.00   4.00  47.54) =  19.590%  kept
        T HG3   MET   11 - HA    GLU-  14  10.68 +/- 1.40   1.165% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   GLU-  14 - HA    MET   11  10.57 +/- 1.52   1.191% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.006%
          HB3   MET   96 - HA    GLU-  14  23.33 +/- 3.61   0.204% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.13 +/- 2.18   0.317% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  24.04 +/- 2.98   0.104% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.02 +/- 5.99   0.155% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.39 +/- 2.47   0.106% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.53 +/- 3.55   0.057% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.42 +/- 6.17   0.099% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  35.92 +/- 5.74   0.048% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.7:
    * O T HB2   MET   92 - HA    MET   92   2.88 +/- 0.21  84.015% * 99.5277% (1.00  10.0 10.00   3.87  62.67) =  99.993%  kept
          HB    ILE   56 - HA    MET   92  10.28 +/- 3.55   3.496% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  81 - HA    MET   92  13.31 +/- 2.92   4.357% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    MET   92   7.85 +/- 0.90   5.078% *  0.0197% (0.20   1.0  1.00   0.02   0.17) =   0.001%
          HB3   PRO   58 - HA    MET   92  15.21 +/- 1.58   0.679% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    MET   92  21.79 +/- 3.27   0.333% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.56 +/- 0.85   1.114% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  26.87 +/- 3.03   0.136% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.86 +/- 6.34   0.446% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  36.35 +/- 6.67   0.156% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.05 +/- 2.68   0.191% *  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 = 0.99, support = 4.25, residual support = 60.2:
    * O T HB3   MET   92 - HA    MET   92   2.74 +/- 0.14  74.913% * 83.8475% (1.00  10.0 10.00   4.22  62.67) =  95.861%  kept
          HG3   PRO   93 - HA    MET   92   4.50 +/- 0.23  17.431% * 15.5343% (0.76   1.0  1.00   4.85   1.91) =   4.132%  kept
          HD2   LYS+ 111 - HA    MET   92  13.97 +/- 4.38   1.790% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    MET   92  16.24 +/- 3.49   1.537% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    MET   92  13.33 +/- 1.47   0.776% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92   8.99 +/- 2.80   2.935% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    MET   92  24.37 +/- 3.25   0.151% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  21.97 +/- 2.21   0.162% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.37 +/- 1.44   0.154% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.46 +/- 1.60   0.150% *  0.0475% (0.57   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 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 62.7:
    * O T HG2   MET   92 - HA    MET   92   2.73 +/- 0.61  74.087% * 99.5593% (1.00  10.0 10.00   2.49  62.67) =  99.976%  kept
          HG2   PRO   52 - HA    MET   92   9.15 +/- 4.59  21.452% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.019%
          QG    GLU- 114 - HA    MET   92  12.03 +/- 2.62   2.851% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HA    MET   92  13.79 +/- 2.68   1.262% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HA    MET   92  29.86 +/- 2.42   0.076% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  25.11 +/- 3.94   0.166% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  31.82 +/- 5.36   0.106% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 0.989, support = 3.93, residual support = 61.8:
    * O T HG3   MET   92 - HA    MET   92   3.18 +/- 0.67  72.130% * 90.0121% (1.00  10.0 10.00   3.97  62.67) =  98.598%  kept
        T HB2   ASP-  44 - HA    MET   92  10.06 +/- 2.51   9.565% *  9.5830% (0.20   1.0 10.00   1.08   0.38) =   1.392%  kept
          HB3   ASP-  76 - HA    MET   92  12.99 +/- 2.76   5.197% *  0.0510% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - HA    MET   92   7.76 +/- 0.87   7.146% *  0.0307% (0.34   1.0  1.00   0.02   0.17) =   0.003%
          HG12  ILE  119 - HA    MET   92  15.87 +/- 1.33   0.796% *  0.0618% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    MET   92  17.25 +/- 0.93   0.586% *  0.0721% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    MET   92  25.89 +/- 6.61   2.751% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    MET   92  25.66 +/- 3.43   0.286% *  0.0882% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.51 +/- 2.21   0.717% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  26.16 +/- 5.84   0.668% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.02 +/- 1.56   0.159% *  0.0438% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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 = 1.88, residual support = 5.91:
          HB    VAL  108 - QB    LYS+ 106   4.20 +/- 0.31  74.388% * 80.3208% (0.92  1.00   1.89   5.95) =  99.296%  kept
          HB    ILE  119 - QB    LYS+ 106  13.39 +/- 3.12   3.351% *  6.4716% (1.00  1.00   0.14   0.02) =   0.360%  kept
        T HB2   GLN   30 - QB    LYS+ 106  17.45 +/- 2.07   1.199% *  9.2027% (1.00 10.00   0.02   0.02) =   0.183%  kept
          HB2   ARG+  54 - QB    LYS+ 106  17.23 +/- 3.85   3.397% *  0.7983% (0.87  1.00   0.02   0.02) =   0.045%
          HB2   PRO   93 - QB    LYS+ 106  11.35 +/- 0.75   4.075% *  0.5210% (0.57  1.00   0.02   0.02) =   0.035%
          HB3   GLU- 100 - QB    LYS+ 106  14.58 +/- 1.10   1.898% *  0.9121% (0.99  1.00   0.02   0.02) =   0.029%
          HB2   LYS+ 111 - QB    LYS+ 106  10.31 +/- 2.13   7.878% *  0.2049% (0.22  1.00   0.02   0.02) =   0.027%
          HG3   GLN   30 - QB    LYS+ 106  18.83 +/- 2.31   0.963% *  0.7983% (0.87  1.00   0.02   0.02) =   0.013%
          HB3   PRO   68 - QB    LYS+ 106  20.45 +/- 2.22   0.757% *  0.4479% (0.49  1.00   0.02   0.02) =   0.006%
          QB    GLU-  15 - QB    LYS+ 106  20.36 +/- 3.53   1.410% *  0.1612% (0.18  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QB    LYS+ 106  21.33 +/- 2.22   0.684% *  0.1612% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.72 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  97.030% * 99.8873% (0.76  10.0   4.64  26.43) =  99.998%  kept
          HN    HIS   22 - HA    VAL   75  11.99 +/- 4.69   2.655% *  0.0636% (0.49   1.0   0.02   0.02) =   0.002%
          HN    VAL  108 - HA    VAL   75  16.72 +/- 3.04   0.315% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.21, residual support = 82.5:
      O   HN    VAL   75 - HA    VAL   75   2.88 +/- 0.04  93.934% * 93.4309% (0.90  10.0   5.23  82.87) =  99.548%  kept
          HN    ASP-  78 - HA    VAL   75   7.24 +/- 0.35   6.066% *  6.5691% (0.95   1.0   1.33   0.32) =   0.452%  kept
    Distance limit 3.80 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 = 0.498, support = 0.686, residual support = 16.2:
          HA    PHE   45 - HB    VAL   75   5.38 +/- 3.46  68.072% * 76.6138% (0.45   0.75  17.95) =  90.414%  kept
          HA    VAL   41 - HB    VAL   75   9.59 +/- 2.18  27.959% * 19.1796% (0.97   0.09   0.02) =   9.297%  kept
          HA    HIS  122 - HB    VAL   75  18.30 +/- 3.08   3.969% *  4.2066% (0.92   0.02   0.02) =   0.289%  kept
    Distance limit 3.76 A violated in 2 structures by 1.01 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 2.11, residual support = 17.9:
          QD    PHE   45 - HB    VAL   75   5.37 +/- 2.89  80.481% * 98.5674% (0.87   2.12  17.95) =  99.824%  kept
          HD2   HIS  122 - HB    VAL   75  15.33 +/- 2.71   9.758% *  0.7378% (0.69   0.02   0.02) =   0.091%
          HE22  GLN  116 - HB    VAL   75  19.21 +/- 2.99   9.761% *  0.6948% (0.65   0.02   0.02) =   0.085%
    Distance limit 3.83 A violated in 5 structures by 1.56 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 1.68:
        T HZ    PHE   72 - HB    VAL   75   6.35 +/- 1.32  72.216% * 97.5882% (0.80 10.00   0.02   1.69) =  99.058%  kept
          HZ2   TRP   27 - HB    VAL   75  10.37 +/- 2.59  27.784% *  2.4118% (0.20  1.00   0.02   0.86) =   0.942%  kept
    Distance limit 4.20 A violated in 15 structures by 2.09 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 4.44, residual support = 82.8:
      O   HN    VAL   75 - HB    VAL   75   2.41 +/- 0.46  97.032% * 97.4786% (0.99  10.0   4.44  82.87) =  99.921%  kept
          HN    ASP-  78 - HB    VAL   75   8.26 +/- 0.36   2.968% *  2.5214% (0.65   1.0   0.79   0.32) =   0.079%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.359, support = 2.44, residual support = 17.2:
        T QE    PHE   45 - QG1   VAL   75   3.80 +/- 2.66  62.889% * 84.9265% (0.34 10.00   2.51  17.95) =  95.153%  kept
          HZ    PHE   72 - QG1   VAL   75   6.95 +/- 1.33  21.826% *  6.3649% (0.90  1.00   0.57   1.69) =   2.475%  kept
          QD    PHE   72 - QG1   VAL   75   5.97 +/- 0.74  15.286% *  8.7086% (0.53  1.00   1.33   1.69) =   2.372%  kept
    Distance limit 3.36 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 3.12, residual support = 17.9:
          QD    PHE   45 - QG1   VAL   75   3.26 +/- 2.67  80.966% * 99.5840% (1.00   3.12  17.95) =  99.951%  kept
          HE22  GLN  116 - QG1   VAL   75  16.48 +/- 2.82  11.580% *  0.1976% (0.31   0.02   0.02) =   0.028%
          HD2   HIS  122 - QG1   VAL   75  13.75 +/- 2.25   7.454% *  0.2184% (0.34   0.02   0.02) =   0.020%
    Distance limit 3.44 A violated in 2 structures by 0.78 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.902, support = 4.91, residual support = 74.1:
          HN    VAL   75 - QG1   VAL   75   3.38 +/- 0.44  79.215% * 68.9003% (0.90   5.23  82.87) =  89.411%  kept
          HN    ASP-  78 - QG1   VAL   75   5.51 +/- 0.32  20.785% * 31.0997% (0.95   2.24   0.32) =  10.589%  kept
    Distance limit 3.90 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 = 26.4:
          HN    ASP-  76 - QG1   VAL   75   3.09 +/- 0.49  93.301% * 99.1032% (0.41   4.97  26.43) =  99.974%  kept
          HN    VAL  108 - QG1   VAL   75  12.00 +/- 2.35   2.156% *  0.7048% (0.73   0.02   0.02) =   0.016%
          HN    HIS   22 - QG1   VAL   75  11.88 +/- 2.83   4.543% *  0.1921% (0.20   0.02   0.02) =   0.009%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 0.02, residual support = 1.2:
          HB2   CYS   21 - QG2   VAL   75   8.63 +/- 4.73  53.222% * 67.1992% (0.76   0.02   1.45) =  82.557%  kept
          QE    LYS+  81 - QG2   VAL   75  11.36 +/- 2.51  29.137% * 15.3994% (0.18   0.02   0.02) =  10.357%  kept
          QE    LYS+ 111 - QG2   VAL   75  15.36 +/- 3.43  17.641% * 17.4014% (0.20   0.02   0.02) =   7.086%  kept
    Distance limit 3.75 A violated in 16 structures by 3.36 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.675, support = 0.75, residual support = 13.1:
          HZ    PHE   45 - QG2   VAL   75   5.34 +/- 3.59  60.028% * 63.0260% (0.76   0.75  17.95) =  71.909%  kept
          HZ3   TRP   27 - QG2   VAL   75   6.56 +/- 2.97  39.972% * 36.9740% (0.45   0.75   0.86) =  28.091%  kept
    Distance limit 3.44 A violated in 4 structures by 0.90 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.951, support = 1.88, residual support = 13.9:
          QE    PHE   45 - QG2   VAL   75   4.37 +/- 3.00  50.093% * 64.8216% (0.97   2.20  17.95) =  75.259%  kept
          QD    PHE   72 - QG2   VAL   75   4.47 +/- 1.18  36.086% * 26.1061% (1.00   0.86   1.69) =  21.835%  kept
          HZ    PHE   72 - QG2   VAL   75   6.30 +/- 1.15  13.821% *  9.0723% (0.25   1.19   1.69) =   2.906%  kept
    Distance limit 3.92 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.792, support = 0.519, residual support = 0.788:
          HE3   TRP   27 - QG2   VAL   75   7.14 +/- 3.13  31.259% * 79.3258% (0.80   0.56   0.86) =  91.295%  kept
          QE    PHE   95 - QG2   VAL   75   7.69 +/- 2.13  24.833% *  3.4553% (0.98   0.02   0.02) =   3.159%  kept
          HD2   HIS   22 - QG2   VAL   75  11.98 +/- 3.86   8.533% *  7.3907% (0.20   0.21   0.02) =   2.322%  kept
          HN    THR   23 - QG2   VAL   75  10.19 +/- 3.82  10.619% *  3.4020% (0.97   0.02   0.02) =   1.330%  kept
          HN    LEU   67 - QG2   VAL   75   9.97 +/- 1.87  14.383% *  2.2804% (0.65   0.02   0.02) =   1.208%  kept
          QD    PHE   55 - QG2   VAL   75  14.18 +/- 1.47   3.730% *  3.0578% (0.87   0.02   0.02) =   0.420%  kept
          HD1   TRP   49 - QG2   VAL   75  13.16 +/- 3.26   6.643% *  1.0880% (0.31   0.02   0.02) =   0.266%  kept
    Distance limit 3.64 A violated in 12 structures by 1.79 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 4.89, residual support = 80.8:
          HN    VAL   75 - QG2   VAL   75   3.03 +/- 0.51  90.388% * 80.7228% (0.90   4.98  82.87) =  97.523%  kept
          HN    ASP-  78 - QG2   VAL   75   7.22 +/- 0.58   9.612% * 19.2772% (0.95   1.13   0.32) =   2.477%  kept
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.611, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   5.62 +/- 2.32  89.092% * 48.3894% (0.61   0.02   0.02) =  88.450%  kept
          HN    VAL  108 - QG2   VAL   75  12.76 +/- 2.57  10.908% * 51.6106% (0.65   0.02   0.02) =  11.550%  kept
    Distance limit 4.09 A violated in 5 structures by 1.51 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   3.03 +/- 0.57  97.619% * 99.4520% (0.15  10.0   3.71  35.72) =  99.987%  kept
          HN    VAL  108 - HB3   ASP-  76  19.02 +/- 3.86   2.381% *  0.5480% (0.84   1.0   0.02   0.02) =   0.013%
    Distance limit 3.44 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.67, residual support = 35.7:
      O   HN    ASP-  76 - HB2   ASP-  76   2.95 +/- 0.42  78.478% * 99.6604% (0.41  10.0   3.67  35.72) =  99.985%  kept
          HN    VAL  108 - HB2   ASP-  76  18.98 +/- 3.89   3.510% *  0.1760% (0.73   1.0   0.02   0.02) =   0.008%
          HN    HIS   22 - HB2   ASP-  76  13.65 +/- 6.39   8.039% *  0.0480% (0.20   1.0   0.02   0.02) =   0.005%
          HN    ASP-  76 - QE    LYS+  66  15.11 +/- 3.65   3.369% *  0.0207% (0.09   1.0   0.02   0.02) =   0.001%
          HN    HIS   22 - QE    LYS+  33  10.51 +/- 2.30   4.172% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  19.79 +/- 3.85   0.772% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.39 +/- 3.33   0.814% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  17.43 +/- 2.67   0.652% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.00 +/- 1.35   0.194% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.611, residual support = 0.606:
          HN    LEU   80 - HA    THR   77   4.80 +/- 1.34  85.347% * 88.3024% (0.38   0.62   0.61) =  99.162%  kept
          HN    CYS   53 - HA    THR   77  14.27 +/- 3.24   7.883% *  4.6328% (0.61   0.02   0.02) =   0.481%  kept
          HN    THR   26 - HA    THR   77  17.92 +/- 4.83   4.533% *  4.9412% (0.65   0.02   0.02) =   0.295%  kept
          HN    ALA   34 - HA    THR   77  20.19 +/- 2.45   2.237% *  2.1237% (0.28   0.02   0.02) =   0.063%
    Distance limit 3.69 A violated in 7 structures by 1.16 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 = 4.61, residual support = 27.3:
      O   HN    ASP-  78 - HA    THR   77   3.51 +/- 0.10  89.986% * 91.7537% (0.65  10.0   4.64  27.53) =  99.010%  kept
          HN    VAL   75 - HA    THR   77   7.65 +/- 0.71  10.014% *  8.2463% (0.99   1.0   1.17   0.73) =   0.990%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.02, residual support = 37.5:
      O   HN    THR   77 - HA    THR   77   2.84 +/- 0.04 100.000% *100.0000% (0.53  10.0   4.02  37.46) = 100.000%  kept
    Distance limit 3.61 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 = 3.16, residual support = 10.0:
        T QD    PHE   45 - QG2   THR   77   3.70 +/- 2.17 100.000% *100.0000% (0.80 10.00   3.16  10.03) = 100.000%  kept
    Distance limit 3.28 A violated in 2 structures by 0.75 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 3.57, residual support = 10.8:
          HN    THR   46 - QG2   THR   77   3.85 +/- 2.74  52.809% * 98.1583% (0.87   3.59  10.84) =  99.582%  kept
          HN    MET   92 - QG2   THR   77   6.14 +/- 2.49  18.389% *  0.4333% (0.69   0.02   0.02) =   0.153%  kept
          HN    LYS+  74 - QG2   THR   77   8.99 +/- 0.83  11.645% *  0.6184% (0.98   0.02   0.02) =   0.138%  kept
          HN    MET   11 - QG2   THR   77  26.95 +/- 5.12   7.233% *  0.4581% (0.73   0.02   0.02) =   0.064%
          HN    LYS+ 112 - QG2   THR   77  13.43 +/- 3.21   9.924% *  0.3319% (0.53   0.02   0.02) =   0.063%
    Distance limit 3.50 A violated in 2 structures by 0.65 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.02, residual support = 37.5:
          HN    THR   77 - QG2   THR   77   2.24 +/- 0.38 100.000% *100.0000% (0.87   4.02  37.46) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.617, support = 1.41, residual support = 4.78:
          HA    ALA   20 - HB2   LYS+  74   7.52 +/- 7.06  66.126% * 70.7007% (0.61   1.58   5.66) =  82.489%  kept
          HA    LEU   71 - HB2   LYS+  74   8.72 +/- 1.96  33.874% * 29.2993% (0.64   0.62   0.66) =  17.511%  kept
    Distance limit 3.85 A violated in 2 structures by 0.59 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.772, support = 2.12, residual support = 4.56:
          HA    ALA   20 - HB3   LYS+  74   7.17 +/- 6.92  66.077% * 64.6406% (0.76   2.37   5.66) =  78.074%  kept
          HA    LEU   71 - HB3   LYS+  74   8.89 +/- 2.14  33.923% * 35.3594% (0.80   1.24   0.66) =  21.926%  kept
    Distance limit 3.77 A violated in 3 structures by 0.61 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.9:
      O   HA    LYS+  74 - HB3   LYS+  74   2.87 +/- 0.19  96.958% * 99.8966% (0.80  10.0   6.20 186.86) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  14.30 +/- 2.41   1.098% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  15.48 +/- 2.94   1.944% *  0.0278% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.35 +/- 0.13  99.747% * 99.9221% (0.49  10.0 10.00   5.98 132.35) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.89 +/- 3.16   0.253% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.437, support = 1.55, residual support = 1.63:
          HB3   MET   92 - HB3   PRO   93   5.55 +/- 0.61  23.326% * 75.0684% (0.41  1.00   1.81   1.91) =  85.193%  kept
        T HB2   LEU   73 - HB3   PRO   93  13.30 +/- 3.97  12.025% * 11.3961% (0.57 10.00   0.02   0.02) =   6.667%  kept
          QG1   ILE   56 - HB3   PRO   93   5.24 +/- 3.44  45.722% *  1.8052% (0.90  1.00   0.02   0.02) =   4.016%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  12.02 +/- 4.00  12.396% *  6.2128% (0.31 10.00   0.02   0.02) =   3.747%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.51 +/- 1.15   2.439% *  1.5383% (0.76  1.00   0.02   0.02) =   0.183%  kept
          HB    ILE   89 - HB3   PRO   93  11.11 +/- 1.49   3.036% *  0.7555% (0.38  1.00   0.02   0.02) =   0.112%  kept
          QD    LYS+  99 - HB3   PRO   93  18.78 +/- 1.46   0.568% *  1.6118% (0.80  1.00   0.02   0.02) =   0.045%
          HB3   LYS+  99 - HB3   PRO   93  19.49 +/- 0.88   0.488% *  1.6118% (0.80  1.00   0.02   0.02) =   0.038%
    Distance limit 3.49 A violated in 0 structures by 0.51 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  96.668% * 99.4465% (0.80  10.0   6.01 132.35) =  99.998%  kept
          HG3   PRO   52 - HB3   PRO   93  11.98 +/- 3.73   0.618% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HB3   PRO   93  10.75 +/- 2.40   0.580% *  0.0853% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HB3   PRO   93  10.93 +/- 2.82   0.688% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93   9.82 +/- 1.93   0.742% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.45 +/- 1.80   0.313% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  18.81 +/- 3.46   0.271% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.83 +/- 4.55   0.053% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  32.62 +/- 5.18   0.024% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  23.36 +/- 1.38   0.043% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.69 +/- 0.13 100.000% *100.0000% (0.92  10.0   5.12 132.35) = 100.000%  kept
    Distance limit 3.65 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 = 0.534:
          QD    PHE   45 - HB3   PRO   93   6.48 +/- 1.02 100.000% *100.0000% (0.76   0.02   0.53) = 100.000%  kept
    Distance limit 4.19 A violated in 15 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.934, support = 1.95, residual support = 12.3:
          QD1   ILE   19 - HG2   GLN   30   4.71 +/- 1.22  47.873% * 66.9450% (0.95   2.13  13.91) =  88.576%  kept
          QD2   LEU  104 - HG2   GLN   30  14.14 +/- 4.56  14.280% * 18.0481% (0.84   0.65   0.02) =   7.123%  kept
          QG2   VAL   18 - HG2   GLN   30   8.90 +/- 1.56  10.680% * 13.5876% (0.90   0.46   0.02) =   4.011%  kept
          QG1   VAL   41 - HG2   GLN   30   8.40 +/- 3.48  17.307% *  0.3230% (0.49   0.02   0.02) =   0.155%  kept
          QG1   VAL   43 - HG2   GLN   30  11.06 +/- 2.93   7.704% *  0.4558% (0.69   0.02   0.02) =   0.097%
          QG2   THR   46 - HG2   GLN   30  16.32 +/- 2.97   2.157% *  0.6404% (0.97   0.02   0.02) =   0.038%
    Distance limit 3.89 A violated in 3 structures by 0.56 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 0.748, residual support = 4.72:
        T QG2   THR   26 - HG2   GLN   30   3.42 +/- 0.64  82.143% * 87.3618% (0.61 10.00   0.75   4.73) =  99.687%  kept
        T QD    LYS+  66 - HG2   GLN   30  16.33 +/- 2.95   2.358% *  3.8324% (1.00 10.00   0.02   0.02) =   0.126%  kept
        T HD3   LYS+  74 - HG2   GLN   30  14.29 +/- 2.58   2.566% *  2.1746% (0.57 10.00   0.02   0.02) =   0.078%
        T HD2   LYS+ 121 - HG2   GLN   30  20.72 +/- 5.22   1.070% *  2.9354% (0.76 10.00   0.02   0.02) =   0.044%
        T HB3   LYS+ 121 - HG2   GLN   30  20.54 +/- 5.18   0.843% *  2.7891% (0.73 10.00   0.02   0.02) =   0.033%
          HG    LEU  104 - HG2   GLN   30  18.23 +/- 5.43   3.269% *  0.2789% (0.73  1.00   0.02   0.02) =   0.013%
          HG2   LYS+  65 - HG2   GLN   30  16.74 +/- 2.99   3.278% *  0.2638% (0.69  1.00   0.02   0.02) =   0.012%
          HB2   LYS+  74 - HG2   GLN   30  11.66 +/- 2.53   4.185% *  0.1310% (0.34  1.00   0.02   0.02) =   0.008%
          HB3   LYS+ 111 - HG2   GLN   30  25.74 +/- 3.55   0.288% *  0.2330% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.02, residual support = 238.2:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.69 +/- 0.27  94.504% * 99.8036% (0.95  10.0 10.00   7.02 238.20) =  99.994%  kept
          QB    ALA   47 - HB3   LYS+ 112  11.84 +/- 2.89   3.284% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   42 - HB3   LYS+ 112  12.14 +/- 2.24   2.213% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.43 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 = 6.5, residual support = 238.2:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.69 +/- 0.27  95.086% * 99.8561% (0.73  10.0 10.00   6.50 238.20) =  99.998%  kept
          HB    THR   46 - HB3   LYS+ 112  13.50 +/- 3.41   3.575% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - HB3   LYS+ 112  26.39 +/- 6.05   0.784% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB3   LYS+ 112  16.41 +/- 2.05   0.556% *  0.0617% (0.45   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 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 238.2:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.70 +/- 0.60  95.760% * 99.7523% (0.97  10.0   5.98 238.20) =  99.998%  kept
          HN    THR   46 - HB3   LYS+ 112  14.82 +/- 2.73   2.391% *  0.0388% (0.38   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB3   LYS+ 112  20.08 +/- 3.58   0.428% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  14.14 +/- 2.45   1.360% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  36.28 +/- 6.64   0.060% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.73, residual support = 238.2:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.85 +/- 0.63  75.846% * 99.6310% (0.84  10.0   5.73 238.20) =  99.989%  kept
          HN    LYS+  74 - HB    VAL   42   8.81 +/- 3.30  20.710% *  0.0310% (0.26   1.0   0.02   0.02) =   0.009%
          HN    LYS+ 112 - HB    VAL   42  16.43 +/- 2.70   1.006% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB    VAL   42  15.63 +/- 2.35   1.152% *  0.0343% (0.29   1.0   0.02   0.17) =   0.001%
          HN    ASP-  78 - HB2   LYS+ 112  19.43 +/- 3.81   0.555% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  19.97 +/- 3.50   0.475% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  25.48 +/- 2.47   0.163% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  36.23 +/- 6.87   0.092% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.805, support = 2.37, residual support = 4.05:
          HA    PHE   72 - HB    VAL   42   6.00 +/- 2.64  57.023% * 87.7097% (0.85   2.44   4.35) =  93.056%  kept
          HA    MET   96 - HB    VAL   42   8.21 +/- 1.63  31.812% * 11.6684% (0.19   1.43   0.02) =   6.906%  kept
          HA    MET   96 - HB2   LYS+ 112  14.75 +/- 2.61   9.275% *  0.1151% (0.14   0.02   0.02) =   0.020%
          HA    PHE   72 - HB2   LYS+ 112  20.20 +/- 3.52   1.891% *  0.5068% (0.60   0.02   0.02) =   0.018%
    Distance limit 3.86 A violated in 12 structures by 1.75 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.49, residual support = 82.7:
      O   HN    VAL   42 - HB    VAL   42   2.78 +/- 0.40  73.559% * 85.8988% (0.80  10.0   5.59  86.33) =  95.685%  kept
          HN    LEU   73 - HB    VAL   42   6.46 +/- 2.60  20.581% * 13.8332% (0.80   1.0   3.22   1.04) =   4.311%  kept
          HN    LYS+ 106 - HB    VAL   42  11.74 +/- 1.79   1.536% *  0.0602% (0.56   1.0   0.02   0.02) =   0.001%
          HN    ILE   19 - HB    VAL   42  10.49 +/- 3.57   2.086% *  0.0259% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LYS+ 112  14.46 +/- 2.57   0.997% *  0.0425% (0.40   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HB2   LYS+ 112  17.97 +/- 3.13   0.604% *  0.0606% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   73 - HB2   LYS+ 112  19.47 +/- 3.78   0.449% *  0.0606% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.57 +/- 3.77   0.188% *  0.0183% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.563, support = 1.83, residual support = 3.8:
          QD    PHE   60 - HB    VAL   42   6.86 +/- 1.51  22.691% * 70.8447% (0.66   2.14   4.82) =  76.279%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.77 +/- 2.69  36.660% *  5.3211% (0.12   0.88   0.86) =   9.256%  kept
          HE3   TRP   27 - HB    VAL   42   9.52 +/- 2.65  14.804% * 11.8093% (0.22   1.09   0.51) =   8.296%  kept
          QD    PHE   60 - HB2   LYS+ 112   9.86 +/- 2.26  12.857% *  9.8213% (0.47   0.42   0.02) =   5.992%  kept
          HN    LYS+  66 - HB    VAL   42  10.26 +/- 1.61   6.442% *  0.2413% (0.24   0.02   0.02) =   0.074%
          HN    LYS+  81 - HB    VAL   42  19.24 +/- 3.08   1.246% *  0.8603% (0.86   0.02   0.02) =   0.051%
          HN    LYS+  66 - HB2   LYS+ 112  16.84 +/- 2.15   2.041% *  0.1703% (0.17   0.02   0.02) =   0.016%
          HN    LYS+  81 - HB2   LYS+ 112  23.94 +/- 3.32   0.503% *  0.6071% (0.61   0.02   0.02) =   0.014%
          QD    PHE   55 - HB    VAL   42  15.94 +/- 2.07   1.558% *  0.1718% (0.17   0.02   0.02) =   0.013%
          HE3   TRP   27 - HB2   LYS+ 112  22.15 +/- 3.96   1.198% *  0.1527% (0.15   0.02   0.02) =   0.009%
    Distance limit 4.07 A violated in 5 structures by 0.67 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.484, support = 0.836, residual support = 4.34:
        T QD    PHE   72 - HB    VAL   42   4.29 +/- 1.96  52.059% * 80.3556% (0.46 10.00   0.82   4.35) =  91.228%  kept
          HZ    PHE   72 - HB    VAL   42   6.45 +/- 2.63  22.259% * 17.8000% (0.78  1.00   1.06   4.35) =   8.641%  kept
        T QD    PHE   72 - HB2   LYS+ 112  16.05 +/- 2.62   2.245% *  1.3897% (0.32 10.00   0.02   0.02) =   0.068%
          QE    PHE   45 - HB    VAL   42   8.87 +/- 1.16  14.266% *  0.1277% (0.30  1.00   0.02   0.02) =   0.040%
          QE    PHE   45 - HB2   LYS+ 112  14.76 +/- 3.11   7.639% *  0.0901% (0.21  1.00   0.02   0.02) =   0.015%
          HZ    PHE   72 - HB2   LYS+ 112  16.62 +/- 2.82   1.531% *  0.2369% (0.55  1.00   0.02   0.02) =   0.008%
    Distance limit 3.99 A violated in 4 structures by 0.75 A, kept.
 
    Peak 2273 (8.88, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA1   GLY  101   2.70 +/- 0.20  97.138% * 99.2681% (0.14  10.0   2.86  15.43) =  99.978%  kept
          HN    LEU   40 - HA1   GLY  101  13.01 +/- 6.52   2.862% *  0.7319% (1.00   1.0   0.02   0.02) =   0.022%
    Distance limit 3.44 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   2.74 +/- 0.22  97.191% * 99.7871% (0.38  10.0   2.86  15.43) =  99.994%  kept
          HN    LEU   40 - HA2   GLY  101  13.47 +/- 6.41   2.809% *  0.2129% (0.80   1.0   0.02   0.02) =   0.006%
    Distance limit 3.30 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   2.60 +/- 0.45  98.848% * 99.9814% (0.84  10.0   1.72   5.16) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.64 +/- 2.06   1.152% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.5:
      O   HN    ALA   12 - HA    ALA   12   2.66 +/- 0.26  99.219% * 99.8617% (0.85  10.0   2.38  12.51) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  18.98 +/- 3.31   0.560% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.82 +/- 3.62   0.136% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  31.31 +/- 4.15   0.085% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.5:
      O   HN    ALA   12 - QB    ALA   12   2.82 +/- 0.20  97.813% * 99.7294% (0.46  10.0   2.29  12.51) =  99.998%  kept
          HN    ASN   35 - QB    ALA   12  15.86 +/- 2.98   0.873% *  0.1891% (0.87   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - QB    ALA   12  19.34 +/- 3.49   0.742% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.75 +/- 4.75   0.571% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 3.51, residual support = 11.9:
      O   HN    ALA   12 - HA    MET   11   2.56 +/- 0.27  94.078% * 99.5700% (0.65  10.0   3.51  11.85) =  99.998%  kept
          HN    ALA   12 - HA    GLU-  14   7.59 +/- 0.68   4.439% *  0.0391% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    MET   11  20.32 +/- 3.84   0.313% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  15.52 +/- 2.55   0.752% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.89 +/- 3.77   0.078% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  33.35 +/- 4.99   0.065% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.72 +/- 3.05   0.165% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.39 +/- 2.74   0.110% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.58, residual support = 11.8:
          HN    ALA   12 - HG3   MET   11   4.29 +/- 0.32  80.539% * 98.7312% (0.97   3.59  11.85) =  99.957%  kept
          HN    ALA   12 - HB3   GLU-  14   8.71 +/- 1.24  12.113% *  0.1955% (0.34   0.02   0.02) =   0.030%
          HN    ASN   35 - HB3   GLU-  14  14.99 +/- 3.01   4.257% *  0.1147% (0.20   0.02   0.02) =   0.006%
          HN    ASN   35 - HG3   MET   11  21.54 +/- 3.66   1.012% *  0.3230% (0.57   0.02   0.02) =   0.004%
          HN    PHE   97 - HB3   GLU-  14  23.20 +/- 3.63   1.167% *  0.0833% (0.15   0.02   0.02) =   0.001%
          HN    PHE   97 - HG3   MET   11  31.07 +/- 4.43   0.300% *  0.2346% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  34.57 +/- 5.65   0.210% *  0.2346% (0.41   0.02   0.02) =   0.001%
          HN    LEU  115 - HB3   GLU-  14  27.11 +/- 3.22   0.402% *  0.0833% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.11, residual support = 6.65:
      O   HN    GLU-  14 - HA    SER   13   2.60 +/- 0.36  85.148% * 99.1146% (0.92  10.0   2.11   6.65) =  99.992%  kept
          HN    GLU-  29 - HA    SER   13  18.18 +/- 4.55   4.824% *  0.0331% (0.31   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HA    SER   13  16.87 +/- 3.67   1.331% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    SER   37  17.95 +/- 5.63   2.087% *  0.0459% (0.43   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    SER   37  14.04 +/- 3.91   0.970% *  0.0530% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   37  11.73 +/- 1.22   1.059% *  0.0459% (0.43   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    THR   46  13.98 +/- 2.25   0.885% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  15.03 +/- 4.77   0.891% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.03 +/- 3.26   0.294% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.50 +/- 3.35   0.446% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  34.13 +/- 7.59   0.210% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  27.19 +/- 4.17   0.265% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.84 +/- 4.84   0.191% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  13.69 +/- 1.56   0.678% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.69 +/- 2.08   0.237% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  20.70 +/- 2.59   0.207% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  21.71 +/- 2.94   0.189% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  29.72 +/- 5.89   0.087% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.6, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  13.46 +/- 2.05  13.989% * 21.8157% (0.99   0.02   0.02) =  27.982%  kept
          HN    ILE   19 - HA    SER   37  13.03 +/- 2.38  15.279% * 11.6574% (0.53   0.02   0.02) =  16.331%  kept
          HN    ILE   19 - HA    THR   46  18.39 +/- 5.21   8.088% * 13.2032% (0.60   0.02   0.02) =   9.791%  kept
          HN    VAL   42 - HA    SER   37  12.50 +/- 1.94  15.798% *  6.6588% (0.30   0.02   0.02) =   9.646%  kept
          HN    LEU   73 - HA    THR   46  13.81 +/- 2.20  12.417% *  7.5418% (0.34   0.02   0.02) =   8.586%  kept
          HN    VAL   42 - HA    THR   46  13.80 +/- 0.60  11.198% *  7.5418% (0.34   0.02   0.02) =   7.744%  kept
          HN    LEU   73 - HA    SER   37  13.37 +/- 2.10  12.448% *  6.6588% (0.30   0.02   0.02) =   7.600%  kept
          HN    LEU   73 - HA    SER   13  17.90 +/- 2.83   6.173% * 12.4613% (0.57   0.02   0.02) =   7.053%  kept
          HN    VAL   42 - HA    SER   13  19.42 +/- 2.67   4.610% * 12.4613% (0.57   0.02   0.02) =   5.267%  kept
    Distance limit 3.46 A violated in 20 structures by 5.70 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB3   SER   37   2.91 +/- 0.56  94.885% * 99.5355% (0.83  10.0   3.80  29.70) =  99.997%  kept
          HN    SER   37 - QB    SER   13  14.04 +/- 2.87   1.887% *  0.0762% (0.63   1.0   0.02   0.02) =   0.002%
          HN    CYS   21 - HB3   SER   37  14.60 +/- 1.97   1.011% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  21.28 +/- 4.80   0.432% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  15.79 +/- 2.65   1.143% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.10 +/- 3.26   0.310% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  31.00 +/- 5.97   0.198% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  29.47 +/- 4.51   0.134% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.606, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  21.49 +/- 2.78  26.540% * 22.8936% (0.69   0.02   0.02) =  42.315%  kept
          HA    TRP   87 - HB3   GLU-  14  33.73 +/- 8.02   8.836% * 33.2545% (1.00   0.02   0.02) =  20.463%  kept
          HA    LEU  104 - HB3   GLU-  14  24.67 +/- 4.65  20.524% * 12.5086% (0.38   0.02   0.02) =  17.879%  kept
          HA    PHE   59 - HG3   MET   11  28.64 +/- 5.79  14.974% *  8.1279% (0.24   0.02   0.02) =   8.476%  kept
          HA    TRP   87 - HG3   MET   11  40.76 +/- 8.10   4.715% * 11.8063% (0.35   0.02   0.02) =   3.877%  kept
          HA    ASP- 113 - HB3   GLU-  14  29.51 +/- 3.58  10.273% *  5.1424% (0.15   0.02   0.02) =   3.679%  kept
          HA    LEU  104 - HG3   MET   11  31.97 +/- 5.45   8.310% *  4.4409% (0.13   0.02   0.02) =   2.570%  kept
          HA    ASP- 113 - HG3   MET   11  36.81 +/- 6.42   5.829% *  1.8257% (0.05   0.02   0.02) =   0.741%  kept
    Distance limit 3.67 A violated in 20 structures by 14.30 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.76, residual support = 45.2:
      O   HN    GLU-  14 - HB3   GLU-  14   3.15 +/- 0.46  85.777% * 99.5831% (0.92  10.0   3.76  45.24) =  99.993%  kept
          HN    GLU-  14 - HG3   MET   11   9.48 +/- 1.68   9.323% *  0.0354% (0.33   1.0   0.02   0.02) =   0.004%
          HN    LYS+  99 - HB3   GLU-  14  21.89 +/- 5.35   0.948% *  0.1079% (1.00   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  14  19.17 +/- 3.47   0.630% *  0.1069% (0.99   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB3   GLU-  14  14.94 +/- 3.06   1.632% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HG3   MET   11  26.26 +/- 5.31   0.636% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  29.24 +/- 5.76   0.203% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  21.98 +/- 4.44   0.513% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  31.75 +/- 7.93   0.209% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  38.58 +/- 7.90   0.128% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.76, residual support = 45.2:
      O   HN    GLU-  14 - HB2   GLU-  14   2.63 +/- 0.55  91.538% * 99.3938% (0.49  10.0   3.76  45.24) =  99.995%  kept
          HN    GLU-  14 - HG2   MET   11   9.02 +/- 1.54   4.627% *  0.0372% (0.18   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   GLU-  14  15.16 +/- 3.12   1.429% *  0.0839% (0.41   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  14  22.15 +/- 5.37   0.392% *  0.1483% (0.73   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLU-  14  19.59 +/- 3.16   0.285% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  25.74 +/- 4.96   0.232% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  21.26 +/- 3.62   0.346% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  17.94 +/- 2.74   0.531% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.80 +/- 5.39   0.125% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  25.73 +/- 3.44   0.237% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  30.24 +/- 4.19   0.124% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  28.00 +/- 3.59   0.135% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.55:
      O   HN    GLY   16 - HA    GLU-  15   2.62 +/- 0.26  90.026% * 99.5949% (0.97  10.0   2.05   5.55) =  99.996%  kept
          HN    GLY   16 - HA    LEU   40  12.63 +/- 4.19   1.385% *  0.0805% (0.78   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HA    ASN   35  13.75 +/- 4.44   5.998% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    LEU   40  16.92 +/- 4.17   1.224% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    GLU-  15  28.18 +/- 7.76   0.665% *  0.0709% (0.69   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    GLU-  15  24.54 +/- 2.38   0.136% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.36 +/- 3.87   0.181% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  23.21 +/- 3.86   0.234% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  25.49 +/- 4.71   0.152% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 5.97, residual support = 105.6:
      O   HN    ASN   28 - HA    ASN   28   2.70 +/- 0.04  99.598% * 99.8927% (0.84  10.0   5.97 105.59) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  18.75 +/- 2.64   0.402% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 2.53, residual support = 19.7:
        T HB2   LEU   31 - HA    ASN   28   3.83 +/- 0.43  63.751% * 92.7908% (0.38 10.00   2.54  19.77) =  99.758%  kept
          HB3   LEU   73 - HA    ASN   28   9.80 +/- 3.10   5.648% *  0.8978% (0.38  1.00   0.19   1.44) =   0.086%
        T QB    ALA   84 - HA    ASN   28  17.85 +/- 4.92   1.351% *  2.4669% (1.00 10.00   0.02   0.02) =   0.056%
        T QB    ALA  124 - HA    ASN   28  22.18 +/- 5.47   0.882% *  2.2173% (0.90 10.00   0.02   0.02) =   0.033%
          HG    LEU   98 - HA    ASN   28  13.43 +/- 4.69   4.488% *  0.2386% (0.97  1.00   0.02   0.02) =   0.018%
          HB2   LEU   63 - HA    ASN   28  16.77 +/- 4.15   5.884% *  0.1599% (0.65  1.00   0.02   0.02) =   0.016%
          HB3   PRO   93 - HA    ASN   28  19.41 +/- 3.54   1.877% *  0.2472% (1.00  1.00   0.02   0.02) =   0.008%
          HG3   LYS+  33 - HA    ASN   28   8.99 +/- 1.08   5.901% *  0.0616% (0.25  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HA    ASN   28  15.46 +/- 2.39   1.585% *  0.1889% (0.76  1.00   0.02   0.02) =   0.005%
          HB    VAL   42 - HA    ASN   28  13.46 +/- 2.53   3.059% *  0.0763% (0.31  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - HA    ASN   28  18.30 +/- 6.30   1.745% *  0.1301% (0.53  1.00   0.02   0.60) =   0.004%
          HG3   LYS+ 106 - HA    ASN   28  18.39 +/- 4.55   1.020% *  0.1500% (0.61  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HA    ASN   28  18.70 +/- 5.60   1.082% *  0.1016% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    ASN   28  18.53 +/- 4.05   0.969% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASN   28  25.38 +/- 4.74   0.431% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  26.07 +/- 4.43   0.327% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.61, support = 3.97, residual support = 19.3:
          HG    LEU   31 - HA    ASN   28   3.13 +/- 1.12  81.620% * 87.9900% (0.61   4.05  19.77) =  97.673%  kept
          QD2   LEU   73 - HA    ASN   28   7.53 +/- 2.28  15.938% * 10.6609% (0.76   0.39   1.44) =   2.311%  kept
          QD1   ILE   56 - HA    ASN   28  18.13 +/- 2.89   0.962% *  0.6912% (0.97   0.02   0.02) =   0.009%
          HG3   LYS+ 121 - HA    ASN   28  22.25 +/- 6.85   0.761% *  0.5473% (0.76   0.02   0.02) =   0.006%
          QD2   LEU  123 - HA    ASN   28  20.22 +/- 5.33   0.719% *  0.1105% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.19 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   2.86 +/- 0.13  99.490% * 99.8461% (0.97  10.0   2.69   5.39) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  23.28 +/- 3.80   0.253% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  29.66 +/- 8.04   0.257% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.2:
      O   HN    GLN   17 - HA2   GLY   16   3.51 +/- 0.06  86.713% * 99.5709% (0.65  10.0   3.26  17.23) =  99.990%  kept
          HD21  ASN   69 - HA2   GLY   16  11.60 +/- 6.82  11.042% *  0.0690% (0.45   1.0   0.02   0.02) =   0.009%
          HN    ALA   61 - HA2   GLY   16  18.49 +/- 4.25   0.829% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA2   GLY   16  32.90 +/- 8.80   0.199% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  17.78 +/- 1.44   0.742% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  29.65 +/- 6.79   0.262% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  31.93 +/- 8.05   0.212% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 17.2:
      O   HN    GLN   17 - HA1   GLY   16   3.15 +/- 0.09  86.115% * 99.5709% (0.65  10.0   3.26  17.23) =  99.989%  kept
          HD21  ASN   69 - HA1   GLY   16  11.07 +/- 6.83  11.968% *  0.0690% (0.45   1.0   0.02   0.02) =   0.010%
          HN    ALA   61 - HA1   GLY   16  17.68 +/- 4.51   0.720% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA1   GLY   16  31.79 +/- 8.92   0.160% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  28.62 +/- 6.97   0.264% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  16.98 +/- 1.45   0.599% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  30.90 +/- 8.22   0.174% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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   2.32 +/- 0.14  99.005% * 99.6694% (0.57  10.0   2.69   5.39) =  99.999%  kept
          HN    SER   82 - HA1   GLY   16  28.82 +/- 8.19   0.160% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.97 +/- 5.62   0.523% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  30.01 +/- 7.39   0.157% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  22.33 +/- 3.93   0.156% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 84.0:
      O T HB3   GLN   17 - QG    GLN   17   2.36 +/- 0.09  71.812% * 92.0894% (0.58  10.0 10.00   4.31  84.19) =  99.568%  kept
          HB2   LEU   71 - HB    VAL   70   6.50 +/- 0.62   3.836% *  7.0932% (0.15   1.0  1.00   5.86  34.20) =   0.410%  kept
          HB2   LEU   71 - QG    GLN   17   9.35 +/- 5.59   3.794% *  0.1181% (0.75   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   GLN   17 - HB    VAL   70  10.99 +/- 4.96   1.857% *  0.1886% (0.12   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - QG    GLN   17  10.14 +/- 3.76   4.692% *  0.0495% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - QG    GLN   17  10.61 +/- 3.80   1.820% *  0.1163% (0.74   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB    VAL   70   8.53 +/- 0.95   1.837% *  0.0238% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB    VAL   70   7.55 +/- 1.03   4.291% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG    GLN   17  18.75 +/- 4.41   0.252% *  0.1081% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  19.96 +/- 4.73   0.285% *  0.0828% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  13.50 +/- 4.05   0.748% *  0.0300% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.39 +/- 2.21   2.052% *  0.0062% (0.04   1.0  1.00   0.02   2.60) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  16.52 +/- 4.36   0.496% *  0.0221% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  16.34 +/- 3.20   0.457% *  0.0170% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.82 +/- 5.43   0.358% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.14 +/- 4.06   0.264% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  14.31 +/- 5.65   0.705% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  15.24 +/- 3.96   0.445% *  0.0038% (0.02   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 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.486, support = 5.56, residual support = 82.8:
          HN    GLN   17 - QG    GLN   17   3.10 +/- 0.80  64.817% * 88.1956% (0.49   5.60  84.19) =  97.816%  kept
          HD21  ASN   69 - HB    VAL   70   6.21 +/- 0.88  12.654% *  9.3134% (0.07   4.17  24.51) =   2.017%  kept
          HD21  ASN   69 - QG    GLN   17  11.26 +/- 5.41   8.119% *  1.0544% (0.34   0.10   0.02) =   0.146%  kept
          HN    GLN   17 - HB    VAL   70  10.30 +/- 5.13   6.433% *  0.0645% (0.10   0.02   0.02) =   0.007%
          HN    ALA   61 - QG    GLN   17  14.46 +/- 3.19   1.249% *  0.2369% (0.37   0.02   0.02) =   0.005%
          HN    ALA   61 - HB    VAL   70  10.30 +/- 1.70   3.044% *  0.0485% (0.08   0.02   0.02) =   0.003%
          HN    TRP   27 - QG    GLN   17  13.61 +/- 2.14   1.348% *  0.0751% (0.12   0.02   0.02) =   0.002%
          HE3   TRP   87 - QG    GLN   17  26.91 +/- 7.26   0.259% *  0.3898% (0.61   0.02   0.02) =   0.002%
          HN    TRP   87 - QG    GLN   17  25.72 +/- 6.61   0.235% *  0.2369% (0.37   0.02   0.02) =   0.001%
          HN    ALA   91 - QG    GLN   17  23.76 +/- 5.46   0.276% *  0.2001% (0.31   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  24.64 +/- 5.48   0.265% *  0.0798% (0.13   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  21.26 +/- 2.89   0.318% *  0.0410% (0.06   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  23.64 +/- 3.66   0.243% *  0.0485% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.68 +/- 1.41   0.740% *  0.0154% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 49.7:
          HN    VAL   18 - QG    GLN   17   3.39 +/- 0.68  77.721% * 99.7447% (0.76   5.80  49.73) =  99.980%  kept
          HN    VAL   18 - HB    VAL   70   9.57 +/- 5.77   9.823% *  0.0704% (0.16   0.02   0.02) =   0.009%
          HN    SER   13 - QG    GLN   17   9.39 +/- 1.70   6.723% *  0.0767% (0.17   0.02   0.02) =   0.007%
          HN    GLU-  29 - QG    GLN   17  14.19 +/- 3.22   3.529% *  0.0767% (0.17   0.02   0.02) =   0.003%
          HN    GLU-  29 - HB    VAL   70  16.32 +/- 1.92   1.245% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  17.66 +/- 2.27   0.958% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 84.2:
      O   HN    GLN   17 - HB3   GLN   17   2.98 +/- 0.44  91.527% * 99.5709% (0.65  10.0   5.27  84.19) =  99.994%  kept
          HD21  ASN   69 - HB3   GLN   17  12.92 +/- 5.96   5.272% *  0.0690% (0.45   1.0   0.02   0.02) =   0.004%
          HN    ALA   61 - HB3   GLN   17  16.51 +/- 3.65   1.494% *  0.0749% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   GLN   17  14.60 +/- 1.96   1.125% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  30.55 +/- 7.89   0.159% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  27.10 +/- 5.95   0.249% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  29.24 +/- 7.16   0.174% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.46, residual support = 49.7:
          HN    VAL   18 - HB3   GLN   17   3.85 +/- 0.54  84.400% * 99.8369% (1.00   5.46  49.73) =  99.985%  kept
          HN    SER   13 - HB3   GLN   17   9.88 +/- 1.74  11.422% *  0.0815% (0.22   0.02   0.02) =   0.011%
          HN    GLU-  29 - HB3   GLN   17  15.09 +/- 3.10   4.178% *  0.0815% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.90 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.1:
      O T HB3   GLN   17 - HA    GLN   17   2.77 +/- 0.25  76.603% * 98.2956% (0.76  10.0 10.00   4.00  84.19) =  99.924%  kept
          QB    LYS+  65 - HA    GLN   17  11.67 +/- 4.97   3.069% *  1.2500% (0.97   1.0  1.00   0.20   0.02) =   0.051%
          HB2   LEU   71 - HA    GLN   17   9.65 +/- 7.07  11.599% *  0.1261% (0.98   1.0  1.00   0.02   0.02) =   0.019%
          QB    LYS+  66 - HA    GLN   17  11.12 +/- 4.89   5.442% *  0.0529% (0.41   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - HA    GLN   17  14.36 +/- 5.23   1.780% *  0.0321% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    GLN   17  20.36 +/- 4.74   0.314% *  0.1154% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  21.87 +/- 5.72   0.363% *  0.0884% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  19.20 +/- 5.79   0.534% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.70 +/- 4.60   0.296% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.186, support = 4.12, residual support = 83.6:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  78.845% * 63.3717% (0.18  10.0 10.00   4.14  84.19) =  99.353%  kept
        T HB3   GLN   17 - HB3   PRO   68  12.29 +/- 6.48   0.853% * 34.1895% (0.46   1.0 10.00   0.43   0.02) =   0.580%  kept
        T HB3   GLN   17 - QB    GLU-  15   5.93 +/- 0.81   2.720% *  0.7113% (0.21   1.0 10.00   0.02   0.02) =   0.038%
          HB2   LEU   71 - HB2   GLN   17  10.05 +/- 6.30   7.320% *  0.0813% (0.24   1.0  1.00   0.02   0.02) =   0.012%
          HB2   LEU   71 - QB    GLU-  15   9.50 +/- 6.50   3.047% *  0.0912% (0.27   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HB3   PRO   68   6.96 +/- 1.19   1.697% *  0.0855% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HB3   PRO   68   9.98 +/- 1.12   0.547% *  0.2008% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB3   PRO   68  10.09 +/- 1.53   0.519% *  0.2039% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB2   GLN   17  11.91 +/- 4.24   0.759% *  0.0800% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   GLN   17  11.71 +/- 4.05   0.942% *  0.0341% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QB    GLU-  15  14.11 +/- 2.90   0.227% *  0.0898% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  23.18 +/- 5.62   0.285% *  0.0639% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  21.13 +/- 4.56   0.095% *  0.1866% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.18 +/- 4.50   0.159% *  0.0835% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  20.96 +/- 3.82   0.089% *  0.1429% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  13.07 +/- 2.88   0.321% *  0.0383% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  14.09 +/- 4.43   0.280% *  0.0232% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.79 +/- 1.65   0.121% *  0.0519% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  14.92 +/- 4.23   0.277% *  0.0207% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  20.97 +/- 4.43   0.073% *  0.0744% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  22.33 +/- 5.17   0.089% *  0.0570% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  19.15 +/- 6.07   0.118% *  0.0321% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.52 +/- 4.75   0.247% *  0.0144% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  17.43 +/- 5.16   0.149% *  0.0144% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  21.18 +/- 3.61   0.057% *  0.0321% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.04 +/- 5.49   0.097% *  0.0128% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.35 +/- 3.80   0.067% *  0.0128% (0.04   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 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.0:
      O   HA    PRO   68 - HB3   PRO   68   2.47 +/- 0.21  91.608% * 99.9155% (0.19  10.0   2.96  36.05) =  99.996%  kept
          HA    PRO   68 - QB    GLU-  15  11.18 +/- 5.81   4.778% *  0.0447% (0.08   1.0   0.02   0.02) =   0.002%
          HA    PRO   68 - HB2   GLN   17  11.38 +/- 6.29   3.614% *  0.0398% (0.07   1.0   0.02   0.02) =   0.002%
    Distance limit 3.57 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 = 0.257, support = 5.24, residual support = 47.6:
          HN    VAL   18 - HB2   GLN   17   3.30 +/- 0.60  58.958% * 82.6866% (0.24   5.46  49.73) =  95.642%  kept
          HN    VAL   18 - HB3   PRO   68  12.13 +/- 6.93  13.339% * 16.3482% (0.61   0.43   0.02) =   4.278%  kept
          HN    VAL   18 - QB    GLU-  15   8.07 +/- 0.48   5.292% *  0.3397% (0.27   0.02   0.02) =   0.035%
          HN    SER   13 - HB3   PRO   68  16.71 +/- 5.42   5.785% *  0.1694% (0.14   0.02   0.02) =   0.019%
          HN    SER   13 - QB    GLU-  15   6.73 +/- 1.00  10.278% *  0.0758% (0.06   0.02   0.02) =   0.015%
          HN    SER   13 - HB2   GLN   17  10.58 +/- 1.60   3.101% *  0.0675% (0.05   0.02   0.02) =   0.004%
          HN    GLU-  29 - HB2   GLN   17  14.89 +/- 3.30   1.738% *  0.0675% (0.05   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB3   PRO   68  21.31 +/- 3.26   0.500% *  0.1694% (0.14   0.02   0.02) =   0.002%
          HN    GLU-  29 - QB    GLU-  15  14.91 +/- 2.44   1.008% *  0.0758% (0.06   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.46, residual support = 49.7:
      O   HN    VAL   18 - HA    GLN   17   2.38 +/- 0.10  99.294% * 99.9233% (0.84  10.0   5.46  49.73) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  15.53 +/- 2.88   0.616% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  28.77 +/- 7.77   0.090% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 0.628, support = 0.02, residual support = 0.564:
        T QB    ALA   64 - HA    GLN   17   9.45 +/- 4.87  55.621% * 38.1619% (0.69 10.00   0.02   0.83) =  66.999%  kept
        T QG1   VAL   42 - HA    GLN   17  11.72 +/- 3.82  30.144% * 27.0421% (0.49 10.00   0.02   0.02) =  25.730%  kept
        T QB    ALA   47 - HA    GLN   17  20.08 +/- 5.38   6.587% * 33.6965% (0.61 10.00   0.02   0.02) =   7.006%  kept
          HG2   LYS+ 112 - HA    GLN   17  23.77 +/- 4.53   7.648% *  1.0994% (0.20  1.00   0.02   0.02) =   0.265%  kept
    Distance limit 3.16 A violated in 20 structures by 5.54 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.98, residual support = 76.4:
      O   HN    VAL   18 - HB    VAL   18   2.50 +/- 0.36  99.008% * 99.9233% (0.84  10.0   4.98  76.43) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  14.29 +/- 2.22   0.766% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  25.76 +/- 8.55   0.226% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.555, support = 0.892, residual support = 2.35:
        T HB2   PHE   72 - HA    VAL   18   7.67 +/- 5.29  39.077% * 85.1733% (0.49 10.00   0.92   1.42) =  85.395%  kept
          HA    ALA   64 - HA    VAL   18   8.38 +/- 5.87  39.414% * 13.9800% (0.98  1.00   0.75   8.04) =  14.137%  kept
        T HB3   ASN   35 - HA    VAL   18  14.89 +/- 3.09  21.510% *  0.8467% (0.22 10.00   0.02   0.02) =   0.467%  kept
    Distance limit 3.87 A violated in 5 structures by 2.41 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.87, residual support = 22.8:
      O   HN    ILE   19 - HA    VAL   18   2.21 +/- 0.03  91.084% * 95.9958% (0.73  10.0   4.89  22.88) =  99.720%  kept
          HN    LEU   73 - HA    VAL   18   8.10 +/- 5.92   6.282% *  3.8527% (0.92   1.0   0.63   0.21) =   0.276%  kept
          HN    VAL   42 - HA    VAL   18  10.07 +/- 5.41   2.495% *  0.1220% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   18  20.07 +/- 2.50   0.140% *  0.0294% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.757, support = 0.254, residual support = 0.12:
          HG    LEU   73 - QG1   VAL   18   7.87 +/- 5.11  17.436% * 33.5776% (0.61   0.31   0.21) =  51.632%  kept
          HG    LEU   40 - QG1   VAL   18  10.04 +/- 3.49   8.595% * 47.0552% (0.99   0.26   0.02) =  35.669%  kept
          HG    LEU   67 - QG1   VAL   18   8.51 +/- 5.34  13.583% *  3.6107% (1.00   0.02   0.02) =   4.325%  kept
          QB    ALA  120 - QG1   VAL   18  13.79 +/- 1.83   8.336% *  2.4857% (0.69   0.02   0.02) =   1.827%  kept
          HG2   LYS+ 102 - QG1   VAL   18  17.81 +/- 3.74   5.787% *  2.6277% (0.73   0.02   0.02) =   1.341%  kept
          HB3   LEU   67 - QG1   VAL   18   8.24 +/- 5.55  16.269% *  0.9023% (0.25   0.02   0.02) =   1.295%  kept
          QG    LYS+  66 - QG1   VAL   18   9.68 +/- 3.93   8.331% *  1.4877% (0.41   0.02   0.02) =   1.093%  kept
          HB3   LEU   40 - QG1   VAL   18  10.14 +/- 3.29   6.964% *  1.6224% (0.45   0.02   0.02) =   0.996%  kept
          HB3   LEU  115 - QG1   VAL   18  14.59 +/- 3.34   2.625% *  3.5867% (0.99   0.02   0.02) =   0.830%  kept
          HG    LEU  115 - QG1   VAL   18  15.12 +/- 3.56   2.338% *  2.4857% (0.69   0.02   0.02) =   0.512%  kept
          QB    ALA   61 - QG1   VAL   18   8.86 +/- 4.34   9.735% *  0.5583% (0.15   0.02   0.47) =   0.479%  kept
    Distance limit 2.99 A violated in 10 structures by 2.30 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 = 0.486, support = 3.11, residual support = 8.22:
        T QB    ALA   34 - QG1   VAL   41   3.85 +/- 2.46  37.601% * 97.8928% (0.49 10.00   3.12   8.25) =  99.646%  kept
        T QB    ALA   34 - QG2   VAL   18   9.01 +/- 1.83   7.034% *  0.7481% (0.37 10.00   0.02   0.02) =   0.142%  kept
        T QG2   ILE   56 - QG1   VAL   41  13.16 +/- 2.31   8.087% *  0.6207% (0.31 10.00   0.02   0.02) =   0.136%  kept
          QG2   THR   23 - QG2   VAL   18   9.57 +/- 2.17  10.836% *  0.1284% (0.64  1.00   0.02   0.02) =   0.038%
          QG2   THR   77 - QG1   VAL   41  12.11 +/- 1.57   2.619% *  0.1220% (0.61  1.00   0.02   0.02) =   0.009%
          HG3   LYS+  38 - QG1   VAL   41   8.20 +/- 1.67   7.886% *  0.0352% (0.18  1.00   0.02   0.02) =   0.008%
          QG2   THR   77 - QG2   VAL   18  11.98 +/- 5.05   2.907% *  0.0932% (0.46  1.00   0.02   0.02) =   0.007%
          QG2   THR   23 - QG1   VAL   41  12.31 +/- 2.80   1.505% *  0.1680% (0.84  1.00   0.02   0.02) =   0.007%
          QG2   ILE   56 - QG2   VAL   18  13.22 +/- 2.91   1.700% *  0.0474% (0.24  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QG1   VAL   41  17.45 +/- 3.29   1.039% *  0.0501% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD2   LEU  104  15.95 +/- 4.52   4.773% *  0.0090% (0.04  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD2   LEU  104   8.66 +/- 2.79   6.514% *  0.0053% (0.03  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   VAL   18  15.58 +/- 3.34   1.070% *  0.0269% (0.13  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   18  19.35 +/- 5.17   0.414% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  13.79 +/- 1.69   1.062% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.24 +/- 2.20   1.693% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  17.22 +/- 4.56   1.364% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  11.82 +/- 2.98   1.896% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 5 structures by 1.03 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.83, support = 3.97, residual support = 73.0:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.01  52.451% * 88.9274% (0.84  10.0 10.00   3.98  73.47) =  99.110%  kept
          HB3   GLN   17 - QG2   VAL   18   5.23 +/- 0.95   5.128% *  3.3305% (0.15   1.0  1.00   4.14  49.73) =   0.363%  kept
          QB    LYS+  65 - QG2   VAL   18   8.08 +/- 4.60   4.614% *  2.6911% (0.55   1.0  1.00   0.91   0.02) =   0.264%  kept
          HG12  ILE  103 - QD2   LEU  104   4.95 +/- 1.02   5.426% *  1.1032% (0.04   1.0  1.00   5.62  38.45) =   0.127%  kept
          QB    LYS+  66 - QG2   VAL   18   8.76 +/- 3.84   1.768% *  2.2360% (0.74   1.0  1.00   0.57   0.02) =   0.084%
        T HB    VAL   41 - QG2   VAL   18  11.14 +/- 3.92   1.639% *  0.6796% (0.64   1.0 10.00   0.02   0.02) =   0.024%
          HG12  ILE  103 - QG1   VAL   41   7.91 +/- 2.50   5.922% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU   71 - QG1   VAL   41   6.72 +/- 2.64   4.440% *  0.0731% (0.69   1.0  1.00   0.02   0.76) =   0.007%
          QB    LYS+ 102 - QG1   VAL   41   8.89 +/- 2.90   1.586% *  0.0889% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   41 - QD2   LEU  104   7.63 +/- 2.16   2.633% *  0.0478% (0.04   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QG2   VAL   18   9.20 +/- 4.59   1.438% *  0.0559% (0.52   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QG1   VAL   41  12.06 +/- 1.80   0.392% *  0.1027% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   4.48 +/- 0.92   8.145% *  0.0048% (0.04   1.0  1.00   0.02   0.27) =   0.001%
          QB    LYS+  65 - QG1   VAL   41  12.18 +/- 1.89   0.379% *  0.0773% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG1   VAL   41  15.44 +/- 2.67   0.262% *  0.1044% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QG2   VAL   18  15.63 +/- 4.63   0.319% *  0.0798% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG2   VAL   18  16.50 +/- 3.79   0.203% *  0.0680% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.06 +/- 3.69   0.626% *  0.0211% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  16.03 +/- 3.27   0.186% *  0.0559% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  14.78 +/- 3.21   0.275% *  0.0334% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  15.63 +/- 3.95   0.194% *  0.0438% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.46 +/- 2.80   0.091% *  0.0438% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  20.37 +/- 4.17   0.078% *  0.0334% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  14.29 +/- 3.62   0.400% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  12.90 +/- 4.14   0.427% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.05 +/- 1.97   0.184% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.67 +/- 2.43   0.214% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  16.01 +/- 5.05   0.291% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  19.86 +/- 3.70   0.130% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  16.82 +/- 3.60   0.159% *  0.0011% (0.01   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 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.515, support = 2.83, residual support = 15.0:
          HB3   LEU   40 - QG1   VAL   41   5.02 +/- 0.41   9.760% * 65.7705% (0.46   3.77  20.55) =  72.772%  kept
          HG2   LYS+  65 - QG2   VAL   18   9.12 +/- 5.65  12.373% *  8.1491% (0.76   0.28   0.02) =  11.431%  kept
          HB3   LEU   40 - QG2   VAL   18  10.87 +/- 3.06   6.966% *  8.9504% (0.61   0.39   0.02) =   7.068%  kept
          QD    LYS+  66 - QG2   VAL   18   9.47 +/- 4.07   6.435% *  5.1298% (0.31   0.44   0.02) =   3.742%  kept
          QG2   THR   26 - QG1   VAL   41   9.49 +/- 3.15   2.672% *  6.9628% (0.64   0.29   0.02) =   2.109%  kept
          HB2   LYS+  74 - QG2   VAL   18   7.31 +/- 6.71  19.460% *  0.7452% (0.99   0.02   1.22) =   1.644%  kept
          QG2   THR   26 - QG2   VAL   18   7.77 +/- 2.13  10.350% *  0.6280% (0.84   0.02   0.02) =   0.737%  kept
          HB2   LYS+  74 - QG1   VAL   41  10.67 +/- 2.45   1.301% *  0.5695% (0.76   0.02   0.02) =   0.084%
          QG2   THR   26 - QD2   LEU  104  13.86 +/- 4.44   7.451% *  0.0965% (0.13   0.02   0.02) =   0.082%
          HB3   LEU   40 - QD2   LEU  104   8.36 +/- 3.85   7.577% *  0.0701% (0.09   0.02   0.02) =   0.060%
          HD2   LYS+ 121 - QG1   VAL   41  13.02 +/- 4.09   1.195% *  0.3947% (0.52   0.02   0.02) =   0.053%
          HD2   LYS+ 121 - QD2   LEU  104  11.83 +/- 5.37   3.845% *  0.0794% (0.11   0.02   0.02) =   0.035%
          QD    LYS+  66 - QG1   VAL   41  12.72 +/- 2.44   1.619% *  0.1774% (0.24   0.02   0.02) =   0.033%
          HG    LEU  115 - QG1   VAL   41  14.45 +/- 3.45   1.145% *  0.2157% (0.29   0.02   0.02) =   0.028%
          HG2   LYS+  65 - QG1   VAL   41  13.98 +/- 2.19   0.502% *  0.4391% (0.58   0.02   0.02) =   0.025%
          HD2   LYS+ 121 - QG2   VAL   18  15.66 +/- 2.41   0.395% *  0.5165% (0.69   0.02   0.02) =   0.023%
          QB    ALA  120 - QG2   VAL   18  13.98 +/- 2.29   0.488% *  0.2822% (0.38   0.02   0.02) =   0.016%
          QB    ALA  120 - QG1   VAL   41  13.20 +/- 2.87   0.632% *  0.2157% (0.29   0.02   0.02) =   0.015%
          HG    LEU  115 - QG2   VAL   18  15.60 +/- 3.12   0.408% *  0.2822% (0.38   0.02   0.02) =   0.013%
          QD    LYS+  66 - QD2   LEU  104  15.05 +/- 4.30   2.639% *  0.0357% (0.05   0.02   0.02) =   0.011%
          QB    ALA  120 - QD2   LEU  104  12.17 +/- 3.51   1.248% *  0.0434% (0.06   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QD2   LEU  104  15.68 +/- 3.43   0.379% *  0.1145% (0.15   0.02   0.02) =   0.005%
          HG    LEU  115 - QD2   LEU  104  13.85 +/- 2.88   0.785% *  0.0434% (0.06   0.02   0.02) =   0.004%
          HG2   LYS+  65 - QD2   LEU  104  16.76 +/- 2.75   0.372% *  0.0883% (0.12   0.02   0.02) =   0.004%
    Distance limit 2.96 A violated in 0 structures by 0.44 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.819, support = 0.02, residual support = 0.34:
        T HA    ALA   61 - QG2   VAL   18   9.33 +/- 4.83  21.357% * 46.5616% (0.87 10.00   0.02   0.47) =  71.299%  kept
        T HA    ALA   61 - QG1   VAL   41  12.17 +/- 1.94   6.203% * 35.5837% (0.66 10.00   0.02   0.02) =  15.827%  kept
          HD2   PRO   68 - QG2   VAL   18  10.00 +/- 5.04  18.117% *  5.2615% (0.98  1.00   0.02   0.02) =   6.835%  kept
          HD2   PRO   68 - QG1   VAL   41  11.36 +/- 1.59   6.805% *  4.0210% (0.75  1.00   0.02   0.02) =   1.962%  kept
          HA    VAL   24 - QG2   VAL   18  11.06 +/- 1.21   8.452% *  2.6128% (0.49  1.00   0.02   0.02) =   1.583%  kept
          HA    VAL   24 - QG1   VAL   41  11.41 +/- 3.18   7.827% *  1.9968% (0.37  1.00   0.02   0.02) =   1.121%  kept
          HA    VAL   24 - QD2   LEU  104  15.31 +/- 5.40  12.578% *  0.4015% (0.07  1.00   0.02   0.02) =   0.362%  kept
          HD2   PRO   68 - QD2   LEU  104  14.06 +/- 4.08   6.239% *  0.8085% (0.15  1.00   0.02   0.02) =   0.362%  kept
          HD3   PRO   58 - QG2   VAL   18  14.44 +/- 3.11   3.607% *  1.0623% (0.20  1.00   0.02   0.02) =   0.275%  kept
          HD3   PRO   58 - QG1   VAL   41  16.25 +/- 1.73   2.999% *  0.8118% (0.15  1.00   0.02   0.02) =   0.175%  kept
          HA    ALA   61 - QD2   LEU  104  14.90 +/- 2.55   3.344% *  0.7155% (0.13  1.00   0.02   0.02) =   0.172%  kept
          HD3   PRO   58 - QD2   LEU  104  16.92 +/- 2.44   2.471% *  0.1632% (0.03  1.00   0.02   0.02) =   0.029%
    Distance limit 2.96 A violated in 18 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.26, residual support = 73.4:
      O T HA    VAL   41 - QG1   VAL   41   2.72 +/- 0.33  79.215% * 98.8372% (0.65  10.0 10.00   4.26  73.47) =  99.940%  kept
        T HA    VAL   41 - QG2   VAL   18  10.15 +/- 4.09   5.280% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.051%
        T HA    VAL   41 - QD2   LEU  104   8.42 +/- 2.40   4.462% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   45 - QG2   VAL   18  13.30 +/- 5.51   1.836% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   45 - QG1   VAL   41  12.27 +/- 0.86   1.027% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  12.89 +/- 4.94   1.824% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  14.30 +/- 2.34   0.814% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  12.96 +/- 6.85   4.676% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  13.98 +/- 1.79   0.866% *  0.0082% (0.05   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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.818, support = 0.02, residual support = 0.11:
          QD    PHE   60 - QG1   VAL   18   9.06 +/- 4.53  34.798% * 36.4324% (1.00   0.02   0.20) =  49.363%  kept
          HN    LYS+  66 - QG1   VAL   18   8.69 +/- 5.04  40.027% * 25.0257% (0.69   0.02   0.02) =  39.003%  kept
          QE    PHE   59 - QG1   VAL   18  11.32 +/- 2.78  20.935% *  8.1111% (0.22   0.02   0.02) =   6.612%  kept
          HN    LYS+  81 - QG1   VAL   18  17.89 +/- 7.78   4.240% * 30.4309% (0.84   0.02   0.02) =   5.023%  kept
    Distance limit 3.16 A violated in 19 structures by 3.90 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 = 76.4:
          HN    VAL   18 - QG1   VAL   18   3.51 +/- 0.34  96.835% * 99.8226% (0.92   5.47  76.43) =  99.994%  kept
          HN    SER   13 - QG1   VAL   18  12.96 +/- 1.75   3.165% *  0.1774% (0.45   0.02   0.02) =   0.006%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.314, support = 1.45, residual support = 1.2:
          HN    LYS+  74 - QG1   VAL   18   6.88 +/- 6.79  64.362% * 92.2844% (0.31   1.47   1.22) =  98.669%  kept
          HN    THR   46 - QG1   VAL   18  13.34 +/- 6.53  11.352% *  2.9472% (0.73   0.02   0.02) =   0.556%  kept
          HN    MET   92 - QG1   VAL   18  17.06 +/- 5.96   7.672% *  3.6399% (0.90   0.02   0.02) =   0.464%  kept
          HN    ASP- 113 - QG1   VAL   18  18.89 +/- 3.64  16.614% *  1.1285% (0.28   0.02   0.02) =   0.311%  kept
    Distance limit 3.61 A violated in 6 structures by 3.03 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.822, support = 4.81, residual support = 22.4:
          HN    ILE   19 - QG1   VAL   18   2.98 +/- 0.36  64.176% * 94.2465% (0.84   4.89  22.88) =  97.868%  kept
          HN    LEU   73 - QG1   VAL   18   6.79 +/- 5.53  23.070% *  5.6620% (0.20   1.24   0.21) =   2.114%  kept
          HN    VAL   42 - QG1   VAL   18   8.57 +/- 5.01  12.754% *  0.0914% (0.20   0.02   0.02) =   0.019%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.738, support = 0.435, residual support = 0.13:
          QD    PHE   60 - QG2   VAL   18   9.50 +/- 3.97  12.790% * 36.1979% (0.80   0.50   0.20) =  45.776%  kept
          QD    PHE   60 - QG1   VAL   41  10.10 +/- 1.21   7.981% * 35.4115% (0.61   0.64   0.12) =  27.944%  kept
          HN    LYS+  66 - QG2   VAL   18   8.32 +/- 4.95  21.917% *  7.2373% (0.98   0.08   0.02) =  15.683%  kept
          QE    PHE   59 - QG1   VAL   41  10.53 +/- 3.00  11.192% *  4.0056% (0.43   0.10   0.02) =   4.433%  kept
          QE    PHE   59 - QG2   VAL   18  11.77 +/- 2.53   4.246% *  7.6537% (0.57   0.15   0.02) =   3.213%  kept
          HN    PHE   59 - QG2   VAL   18  13.22 +/- 2.99   2.698% *  3.0097% (0.22   0.15   0.02) =   0.803%  kept
          HN    PHE   59 - QG1   VAL   41  14.55 +/- 1.86   2.508% *  2.8765% (0.17   0.19   0.02) =   0.713%  kept
          HN    LYS+  66 - QG1   VAL   41  12.05 +/- 1.73   5.012% *  1.3487% (0.75   0.02   0.02) =   0.668%  kept
          QE    PHE   59 - QD2   LEU  104  10.57 +/- 3.18  12.877% *  0.1566% (0.09   0.02   0.02) =   0.199%  kept
          HN    LYS+  81 - QG1   VAL   41  17.34 +/- 3.09   2.710% *  0.6169% (0.34   0.02   0.02) =   0.165%  kept
          QD    PHE   60 - QD2   LEU  104  11.90 +/- 2.08   5.729% *  0.2215% (0.12   0.02   0.02) =   0.125%  kept
          HN    LYS+  81 - QG2   VAL   18  18.32 +/- 6.98   1.554% *  0.8072% (0.45   0.02   0.02) =   0.124%  kept
          HN    LYS+  66 - QD2   LEU  104  14.95 +/- 3.15   4.077% *  0.2712% (0.15   0.02   0.02) =   0.109%  kept
          HN    LYS+  81 - QD2   LEU  104  19.82 +/- 3.41   2.229% *  0.1240% (0.07   0.02   0.02) =   0.027%
          HN    PHE   59 - QD2   LEU  104  15.33 +/- 2.29   2.479% *  0.0616% (0.03   0.02   0.02) =   0.015%
    Distance limit 3.21 A violated in 13 structures by 2.23 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 = 5.24, residual support = 76.4:
          HN    VAL   18 - QG2   VAL   18   2.45 +/- 0.64  73.256% * 98.1376% (0.61   5.25  76.43) =  99.923%  kept
          HN    VAL   18 - QG1   VAL   41  11.24 +/- 4.15   9.994% *  0.2859% (0.46   0.02   0.02) =   0.040%
          HN    GLU-  29 - QG2   VAL   18  11.84 +/- 2.09   2.170% *  0.4479% (0.73   0.02   0.02) =   0.014%
          HN    GLU-  29 - QG1   VAL   41  10.48 +/- 3.29   1.571% *  0.3423% (0.55   0.02   0.02) =   0.007%
          HN    GLN   30 - QG2   VAL   18  10.64 +/- 1.64   2.868% *  0.1538% (0.25   0.02   0.02) =   0.006%
          HN    GLN   30 - QG1   VAL   41   8.69 +/- 3.27   3.126% *  0.1175% (0.19   0.02   0.02) =   0.005%
          HN    GLU-  29 - QD2   LEU  104  15.17 +/- 4.62   2.243% *  0.0688% (0.11   0.02   0.02) =   0.002%
          HN    GLN   30 - QD2   LEU  104  13.85 +/- 4.24   2.994% *  0.0236% (0.04   0.02   0.02) =   0.001%
          HN    ASP-  86 - QG2   VAL   18  21.12 +/- 6.53   0.313% *  0.1904% (0.31   0.02   0.02) =   0.001%
          HN    ASP-  86 - QG1   VAL   41  18.38 +/- 4.44   0.407% *  0.1455% (0.24   0.02   0.02) =   0.001%
          HN    VAL   18 - QD2   LEU  104  15.81 +/- 3.94   0.758% *  0.0575% (0.09   0.02   0.02) =   0.001%
          HN    ASP-  86 - QD2   LEU  104  19.18 +/- 5.36   0.301% *  0.0293% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.54, residual support = 73.4:
          HN    VAL   41 - QG1   VAL   41   2.35 +/- 0.46  80.255% * 96.5052% (0.14   4.54  73.47) =  99.875%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.10 +/- 0.84   3.781% *  2.0515% (0.01   1.23   0.02) =   0.100%  kept
          HN    VAL   41 - QG2   VAL   18  11.38 +/- 3.03   3.150% *  0.3246% (0.10   0.02   0.02) =   0.013%
          HN    LYS+ 106 - QG1   VAL   41  11.78 +/- 1.76   0.773% *  0.6211% (0.20   0.02   0.02) =   0.006%
          HN    VAL   41 - QD2   LEU  104   6.80 +/- 3.04  11.722% *  0.0228% (0.01   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QG2   VAL   18  17.41 +/- 2.53   0.319% *  0.4747% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.33, residual support = 85.2:
          HN    VAL   83 - QG1   VAL   83   2.40 +/- 0.50  95.316% * 98.5330% (0.36   5.33  85.24) =  99.980%  kept
          HN    CYS   50 - QG1   VAL   83  13.59 +/- 2.75   1.001% *  0.7800% (0.75   0.02   0.02) =   0.008%
          HN    TRP   49 - QG1   VAL   83  13.08 +/- 2.95   1.226% *  0.5091% (0.49   0.02   0.02) =   0.007%
          HE22  GLN   30 - QG1   VAL   83  16.11 +/- 5.94   2.457% *  0.1779% (0.17   0.02   0.02) =   0.005%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 0.02:
        T QG1   VAL  107 - QG1   VAL   83  13.07 +/- 3.08  24.352% * 62.4465% (0.75 10.00   0.02   0.02) =  73.116%  kept
        T HG    LEU   63 - QG1   VAL   83  16.61 +/- 3.21  12.027% * 27.0188% (0.33 10.00   0.02   0.02) =  15.624%  kept
          QG2   VAL   24 - QG1   VAL   83  11.36 +/- 5.53  29.035% *  3.7876% (0.46  1.00   0.02   0.02) =   5.288%  kept
          QG1   VAL   24 - QG1   VAL   83  11.56 +/- 5.54  26.377% *  3.7876% (0.46  1.00   0.02   0.02) =   4.804%  kept
          HD3   LYS+ 112 - QG1   VAL   83  18.33 +/- 2.66   8.209% *  2.9596% (0.36  1.00   0.02   0.02) =   1.168%  kept
    Distance limit 3.05 A violated in 16 structures by 5.29 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 = 0.508, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  14.39 +/- 3.31  24.703% * 27.9530% (0.14 10.00   0.02   0.02) =  42.930%  kept
          HB2   PRO   58 - HA    ILE   19  19.25 +/- 2.80  14.427% * 19.0666% (0.92  1.00   0.02   0.02) =  17.101%  kept
          HB3   PHE   97 - HA    ILE   19  18.20 +/- 3.18  13.416% * 19.0666% (0.92  1.00   0.02   0.02) =  15.904%  kept
          HB2   GLU- 100 - HA    ILE   19  19.99 +/- 5.49  12.230% * 14.1878% (0.69  1.00   0.02   0.02) =  10.788%  kept
          HB2   GLN  116 - HA    ILE   19  22.77 +/- 2.98   7.587% * 16.5389% (0.80  1.00   0.02   0.02) =   7.801%  kept
          QG    GLU-  79 - HA    ILE   19  16.41 +/- 6.38  27.637% *  3.1869% (0.15  1.00   0.02   0.02) =   5.476%  kept
    Distance limit 3.88 A violated in 18 structures by 7.27 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 = 25.7:
      O   HN    ALA   20 - HA    ILE   19   2.22 +/- 0.03  99.630% * 99.9363% (0.73  10.0   5.04  25.74) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  16.92 +/- 3.45   0.290% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  24.52 +/- 2.21   0.080% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 6.74, residual support = 172.6:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.04  88.694% * 99.8764% (0.98  10.0   6.74 172.63) =  99.992%  kept
          HN    LEU   73 - HA    ILE   19   8.14 +/- 4.29   9.005% *  0.0618% (0.61   1.0   0.02   4.43) =   0.006%
          HN    VAL   42 - HA    ILE   19  11.45 +/- 3.58   2.301% *  0.0618% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.71 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 = 2.25, residual support = 4.43:
          HA    LEU   73 - HB    ILE   19   6.59 +/- 5.49 100.000% *100.0000% (0.95   2.25   4.43) = 100.000%  kept
    Distance limit 3.93 A violated in 7 structures by 3.10 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 5.86, residual support = 168.8:
      O   HN    ILE   19 - HB    ILE   19   2.71 +/- 0.51  77.670% * 90.5562% (0.65  10.0   5.96 172.63) =  97.734%  kept
          HN    LEU   73 - HB    ILE   19   6.55 +/- 4.36  17.523% *  9.2698% (0.97   1.0   1.37   4.43) =   2.257%  kept
          HN    VAL   42 - HB    ILE   19   9.73 +/- 3.66   4.477% *  0.1351% (0.97   1.0   0.02   0.02) =   0.008%
          HN    LYS+ 106 - HB    ILE   19  20.18 +/- 2.45   0.331% *  0.0389% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.88, residual support = 172.3:
      O   HG13  ILE   19 - QG2   ILE   19   2.70 +/- 0.35  60.216% * 98.1968% (0.28  10.0   4.89 172.63) =  99.828%  kept
          QB    ALA   34 - QG2   ILE   19   6.05 +/- 1.54  13.187% *  0.3501% (0.99   1.0   0.02   0.02) =   0.078%
          QG2   THR   39 - QG2   ILE   19   7.66 +/- 2.66  14.836% *  0.2142% (0.61   1.0   0.02   0.02) =   0.054%
          QG2   THR   23 - QG2   ILE   19   7.36 +/- 0.90   4.555% *  0.2699% (0.76   1.0   0.02   0.02) =   0.021%
          HG3   LYS+  38 - QG2   ILE   19  12.87 +/- 2.25   2.045% *  0.3064% (0.87   1.0   0.02   0.02) =   0.011%
          QG2   ILE   56 - QG2   ILE   19  15.21 +/- 2.06   0.678% *  0.3462% (0.98   1.0   0.02   0.02) =   0.004%
          HG2   LYS+  74 - QG2   ILE   19  10.09 +/- 3.89   2.891% *  0.0478% (0.14   1.0   0.02   7.68) =   0.002%
          QB    ALA   91 - QG2   ILE   19  16.52 +/- 3.20   0.465% *  0.2142% (0.61   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  99 - QG2   ILE   19  14.68 +/- 5.03   1.127% *  0.0545% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 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 = 172.4:
      O   HG12  ILE   19 - QG2   ILE   19   2.98 +/- 0.32  67.116% * 98.6190% (0.95  10.0  1.00   5.44 172.63) =  99.851%  kept
          HG    LEU   73 - QG2   ILE   19   6.82 +/- 3.68  15.985% *  0.5376% (0.53   1.0  1.00   0.20   4.43) =   0.130%  kept
        T QB    LEU   98 - QG2   ILE   19  12.20 +/- 3.07   1.447% *  0.1826% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   61 - QG2   ILE   19  11.23 +/- 2.51   2.400% *  0.1022% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QG2   ILE   19   8.56 +/- 3.95   5.703% *  0.0391% (0.38   1.0  1.00   0.02   7.68) =   0.003%
          HB3   LEU   67 - QG2   ILE   19  10.87 +/- 2.54   1.929% *  0.0935% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   80 - QG2   ILE   19  16.16 +/- 6.22   1.243% *  0.1033% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   ILE   19  12.02 +/- 1.77   1.306% *  0.0757% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG2   ILE   19  16.22 +/- 5.78   1.005% *  0.0590% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   ILE   19  17.05 +/- 4.47   0.985% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   ILE   19  18.18 +/- 2.07   0.329% *  0.1022% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   ILE   19  17.60 +/- 4.16   0.553% *  0.0429% (0.41   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 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.793, support = 4.86, residual support = 170.6:
      O   HB    ILE   19 - QG2   ILE   19   2.11 +/- 0.02  64.197% * 96.2824% (0.80  10.0   4.89 172.63) =  98.724%  kept
          HG3   GLN   30 - QG2   ILE   19   4.00 +/- 1.53  26.195% *  3.0116% (0.22   1.0   2.25  13.91) =   1.260%  kept
          HB2   GLN   17 - QG2   ILE   19   6.40 +/- 1.27   4.095% *  0.1110% (0.92   1.0   0.02   0.02) =   0.007%
          QB    GLU-  15 - QG2   ILE   19   7.84 +/- 1.36   1.596% *  0.1110% (0.92   1.0   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QG2   ILE   19  10.00 +/- 1.43   1.299% *  0.1200% (1.00   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - QG2   ILE   19  13.45 +/- 3.34   1.731% *  0.0681% (0.57   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - QG2   ILE   19  13.82 +/- 2.88   0.688% *  0.0873% (0.73   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - QG2   ILE   19  17.98 +/- 2.25   0.128% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.63 +/- 2.93   0.071% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 0.646, support = 2.1, residual support = 13.9:
          HG2   GLN   30 - QG2   ILE   19   3.84 +/- 1.37  67.470% * 96.5229% (0.65   2.10  13.91) =  99.696%  kept
          HB3   ASN   28 - QG2   ILE   19   9.32 +/- 1.31  16.810% *  0.5831% (0.41   0.02   0.02) =   0.150%  kept
          QE    LYS+ 121 - QG2   ILE   19  15.75 +/- 3.83   3.415% *  1.4152% (1.00   0.02   0.02) =   0.074%
          HB3   HIS  122 - QG2   ILE   19  14.88 +/- 3.02   2.197% *  1.2303% (0.87   0.02   0.02) =   0.041%
          HB3   ASP-  78 - QG2   ILE   19  16.77 +/- 5.20  10.108% *  0.2484% (0.18   0.02   0.02) =   0.038%
    Distance limit 3.93 A violated in 2 structures by 0.31 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 172.6:
      O   HA    ILE   19 - QG2   ILE   19   2.41 +/- 0.29  96.834% * 99.7522% (0.92  10.0   5.74 172.63) =  99.997%  kept
          HA    GLU-  25 - QG2   ILE   19   9.49 +/- 1.28   2.482% *  0.1081% (1.00   1.0   0.02   0.02) =   0.003%
          HA    CYS   53 - QG2   ILE   19  19.32 +/- 2.82   0.383% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  20.19 +/- 6.26   0.301% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 3.67, residual support = 25.7:
          HN    ALA   20 - QG2   ILE   19   3.25 +/- 0.42  97.997% * 97.9017% (0.31   3.67  25.74) =  99.976%  kept
          HN    PHE   45 - QG2   ILE   19  14.31 +/- 2.97   1.557% *  1.2562% (0.73   0.02   0.02) =   0.020%
          HN    ALA  110 - QG2   ILE   19  20.84 +/- 2.21   0.446% *  0.8421% (0.49   0.02   0.02) =   0.004%
    Distance limit 3.34 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.74, residual support = 172.2:
          HN    ILE   19 - QG2   ILE   19   3.45 +/- 0.44  67.822% * 98.8275% (0.65   5.75 172.63) =  99.757%  kept
          HN    LEU   73 - QG2   ILE   19   6.61 +/- 3.44  24.826% *  0.5124% (0.97   0.02   4.43) =   0.189%  kept
          HN    VAL   42 - QG2   ILE   19   9.43 +/- 2.91   6.824% *  0.5124% (0.97   0.02   0.02) =   0.052%
          HN    LYS+ 106 - QG2   ILE   19  18.10 +/- 2.23   0.528% *  0.1476% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.85 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 = 0.273, support = 0.134, residual support = 0.852:
          QD1   LEU   40 - HG    LEU   71   6.26 +/- 1.67  33.065% * 29.2445% (0.06   0.24   1.60) =  52.524%  kept
          QD2   LEU   67 - HG13  ILE   19   9.90 +/- 3.65  16.004% * 28.7454% (0.69   0.02   0.02) =  24.988%  kept
          QD1   LEU   40 - HG13  ILE   19   9.53 +/- 2.18  15.795% * 17.2041% (0.41   0.02   0.02) =  14.761%  kept
          QD2   LEU   67 - HG    LEU   71   7.67 +/- 1.78  21.374% *  4.1205% (0.10   0.02   0.02) =   4.784%  kept
          QG2   ILE  119 - HG13  ILE   19  15.66 +/- 2.41   2.029% * 11.6352% (0.28   0.02   0.02) =   1.283%  kept
          QD1   ILE  103 - HG13  ILE   19  15.93 +/- 3.40   2.823% *  6.4569% (0.15   0.02   0.02) =   0.990%  kept
          QG2   ILE  119 - HG    LEU   71  13.50 +/- 3.38   5.513% *  1.6678% (0.04   0.02   0.02) =   0.499%  kept
          QD1   ILE  103 - HG    LEU   71  14.96 +/- 3.03   3.397% *  0.9256% (0.02   0.02   0.02) =   0.171%  kept
    Distance limit 3.09 A violated in 14 structures by 2.16 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 = 0.638, support = 5.89, residual support = 169.7:
          HN    ILE   19 - HG13  ILE   19   2.93 +/- 0.64  62.674% * 88.5047% (0.65   5.97 172.63) =  98.293%  kept
          HN    LEU   73 - HG    LEU   71   8.06 +/- 1.35   8.726% *  6.5844% (0.14   2.08   1.19) =   1.018%  kept
          HN    VAL   42 - HG    LEU   71   8.07 +/- 2.13   9.334% *  2.5981% (0.14   0.82   0.78) =   0.430%  kept
          HN    ILE   19 - HG    LEU   71   9.23 +/- 4.81   7.519% *  1.2818% (0.09   0.60   1.25) =   0.171%  kept
          HN    LEU   73 - HG13  ILE   19   8.10 +/- 4.47   8.163% *  0.4426% (0.97   0.02   4.43) =   0.064%
          HN    VAL   42 - HG13  ILE   19  10.55 +/- 3.87   3.076% *  0.4426% (0.97   0.02   0.02) =   0.024%
          HN    LYS+ 106 - HG13  ILE   19  21.00 +/- 2.45   0.224% *  0.1275% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   71  19.39 +/- 2.18   0.284% *  0.0183% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.412, support = 2.23, residual support = 13.9:
          HE22  GLN   30 - QG2   ILE   19   3.90 +/- 1.52  90.930% * 97.4584% (0.41   2.23  13.91) =  99.873%  kept
          HD22  ASN   69 - QG2   ILE   19  13.39 +/- 2.65   4.372% *  2.1210% (1.00   0.02   0.02) =   0.105%  kept
          QE    PHE   45 - QG2   ILE   19  12.86 +/- 3.46   4.698% *  0.4207% (0.20   0.02   0.02) =   0.022%
    Distance limit 4.12 A violated in 1 structures by 0.36 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.02, residual support = 13.9:
          HE21  GLN   30 - QG2   ILE   19   3.70 +/- 1.80  74.081% * 97.4381% (1.00   2.03  13.91) =  99.700%  kept
          HD1   TRP   27 - QG2   ILE   19   8.20 +/- 1.16  20.555% *  0.8361% (0.87   0.02   0.02) =   0.237%  kept
          QD    PHE   59 - QG2   ILE   19  13.58 +/- 1.31   4.662% *  0.8361% (0.87   0.02   0.02) =   0.054%
          HH2   TRP   49 - QG2   ILE   19  20.12 +/- 4.95   0.702% *  0.8897% (0.92   0.02   0.02) =   0.009%
    Distance limit 4.10 A violated in 1 structures by 0.29 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.25, support = 2.07, residual support = 13.9:
          HE22  GLN   30 - QD1   ILE   19   4.62 +/- 1.56  87.895% * 93.5321% (0.25   2.07  13.91) =  99.714%  kept
          HN    CYS   50 - QD1   ILE   19  20.48 +/- 3.27   3.326% *  2.8954% (0.80   0.02   0.02) =   0.117%  kept
          HN    VAL   83 - QD1   ILE   19  19.34 +/- 5.44   5.929% *  1.2334% (0.34   0.02   0.02) =   0.089%
          HN    TRP   49 - QD1   ILE   19  20.58 +/- 3.88   2.850% *  2.3391% (0.65   0.02   0.02) =   0.081%
    Distance limit 4.26 A violated in 4 structures by 0.81 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  17.94 +/- 1.95 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.05 A violated in 20 structures by 13.88 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 = 25.7:
          HA    ILE   19 - QB    ALA   20   3.92 +/- 0.04  85.648% * 98.7210% (0.92   3.84  25.74) =  99.911%  kept
          HA    GLU-  25 - QB    ALA   20   9.91 +/- 2.21  11.865% *  0.5577% (1.00   0.02   0.02) =   0.078%
          HA    SER   82 - QB    ALA   20  19.34 +/- 6.41   1.332% *  0.3382% (0.61   0.02   0.02) =   0.005%
          HA    CYS   53 - QB    ALA   20  18.22 +/- 3.00   1.155% *  0.3831% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.822, support = 0.02, residual support = 2.95:
          QE    LYS+  74 - QB    ALA   20   8.09 +/- 4.99  44.019% * 25.4326% (0.90   0.02   5.66) =  51.992%  kept
          HB2   PHE   72 - QB    ALA   20   9.00 +/- 2.89  30.934% * 16.0552% (0.57   0.02   0.02) =  23.065%  kept
          HB3   ASN   69 - QB    ALA   20  14.68 +/- 2.98  10.918% * 27.3678% (0.97   0.02   0.02) =  13.877%  kept
          QB    CYS   50 - QB    ALA   20  15.87 +/- 3.41   7.925% * 26.1780% (0.92   0.02   0.02) =   9.635%  kept
          HB3   ASP-  78 - QB    ALA   20  14.63 +/- 6.18   6.204% *  4.9664% (0.18   0.02   0.02) =   1.431%  kept
    Distance limit 3.71 A violated in 12 structures by 2.98 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 = 0.827, support = 2.22, residual support = 5.31:
          HD2   HIS   22 - QB    ALA   20   3.56 +/- 0.63  59.004% * 62.1729% (0.92   2.21   6.10) =  75.911%  kept
          HN    THR   23 - QB    ALA   20   4.83 +/- 1.29  32.256% * 35.9662% (0.53   2.24   2.82) =  24.006%  kept
          HN    LEU   67 - QB    ALA   20  11.21 +/- 3.20   3.537% *  0.5463% (0.90   0.02   0.02) =   0.040%
          HD1   TRP   49 - QB    ALA   20  19.25 +/- 6.03   1.946% *  0.6037% (0.99   0.02   0.02) =   0.024%
          QE    PHE   95 - QB    ALA   20  13.54 +/- 2.04   1.518% *  0.2965% (0.49   0.02   0.02) =   0.009%
          HD21  ASN   35 - QB    ALA   20  15.49 +/- 2.51   1.254% *  0.3205% (0.53   0.02   0.02) =   0.008%
          QD    PHE   55 - QB    ALA   20  18.57 +/- 2.06   0.485% *  0.0940% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.50 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 = 3.9, residual support = 16.6:
          HN    CYS   21 - QB    ALA   20   3.54 +/- 0.05  92.852% * 99.1321% (0.95   3.90  16.64) =  99.981%  kept
          HN    LYS+  33 - QB    ALA   20  11.57 +/- 1.37   3.210% *  0.3257% (0.61   0.02   0.02) =   0.011%
          HN    ILE  119 - QB    ALA   20  17.53 +/- 3.35   1.513% *  0.2825% (0.53   0.02   0.02) =   0.005%
          HN    SER   37 - QB    ALA   20  14.04 +/- 1.44   1.676% *  0.0940% (0.18   0.02   0.02) =   0.002%
          HN    ILE   89 - QB    ALA   20  20.28 +/- 4.82   0.749% *  0.1657% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.98 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   2.09 +/- 0.13  99.458% * 99.6086% (0.31  10.0   3.73  15.22) =  99.999%  kept
          HN    PHE   45 - QB    ALA   20  13.99 +/- 2.70   0.410% *  0.2343% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA  110 - QB    ALA   20  20.37 +/- 2.57   0.133% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.606, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  11.25 +/- 3.89  18.256% *  9.0526% (0.65   0.02   0.02) =  23.631%  kept
          HG    LEU  123 - HB2   CYS   21  21.83 +/- 4.90   7.570% * 13.7167% (0.98   0.02   0.02) =  14.847%  kept
          QB    LYS+  33 - HB2   CYS   21  10.19 +/- 1.90  19.119% *  4.7734% (0.34   0.02   0.02) =  13.050%  kept
          HG12  ILE  103 - HB2   CYS   21  16.59 +/- 4.26   5.686% * 11.2053% (0.80   0.02   0.02) =   9.110%  kept
          HG3   PRO   68 - HB2   CYS   21  19.03 +/- 3.62   6.424% *  7.9226% (0.57   0.02   0.02) =   7.278%  kept
          QB    LYS+  66 - HB2   CYS   21  15.23 +/- 2.92   7.893% *  6.2738% (0.45   0.02   0.02) =   7.081%  kept
          HB    ILE  103 - HB2   CYS   21  18.71 +/- 4.56   5.059% *  7.3624% (0.53   0.02   0.02) =   5.326%  kept
          HB3   PRO   52 - HB2   CYS   21  25.06 +/- 4.58   2.053% * 13.7167% (0.98   0.02   0.02) =   4.026%  kept
          QB    LYS+  81 - HB2   CYS   21  17.87 +/- 6.95   8.619% *  3.1155% (0.22   0.02   0.02) =   3.840%  kept
          HG2   PRO   93 - HB2   CYS   21  18.73 +/- 4.66   7.240% *  3.1155% (0.22   0.02   0.02) =   3.226%  kept
          HG2   ARG+  54 - HB2   CYS   21  22.02 +/- 4.95   3.282% *  6.8115% (0.49   0.02   0.02) =   3.196%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.21 +/- 4.51   3.082% *  6.2738% (0.45   0.02   0.02) =   2.765%  kept
          QB    LYS+ 106 - HB2   CYS   21  17.55 +/- 2.94   3.476% *  2.7693% (0.20   0.02   0.02) =   1.377%  kept
          HB3   GLN   90 - HB2   CYS   21  23.13 +/- 5.75   2.243% *  3.8908% (0.28   0.02   0.02) =   1.248%  kept
    Distance limit 3.80 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 = 1.44, residual support = 8.88:
          QD1   LEU   73 - HB2   CYS   21   5.02 +/- 3.81  37.833% * 79.4718% (0.80   1.50   9.33) =  95.079%  kept
          QD1   LEU   63 - HB2   CYS   21  12.27 +/- 2.70   7.594% * 16.7888% (0.80   0.32   0.02) =   4.032%  kept
          QD2   LEU   63 - HB2   CYS   21  12.61 +/- 2.87   8.377% *  1.2216% (0.92   0.02   0.02) =   0.324%  kept
          QG2   VAL   41 - HB2   CYS   21   9.31 +/- 3.28   9.468% *  0.4967% (0.38   0.02   0.02) =   0.149%  kept
          QD2   LEU   80 - HB2   CYS   21  13.25 +/- 6.96   6.185% *  0.5440% (0.41   0.02   0.02) =   0.106%  kept
          QD1   LEU  104 - HB2   CYS   21  15.64 +/- 4.88  11.400% *  0.2946% (0.22   0.02   0.02) =   0.106%  kept
          QD1   LEU   80 - HB2   CYS   21  14.02 +/- 7.55   9.980% *  0.2946% (0.22   0.02   0.02) =   0.093%
          QD2   LEU   98 - HB2   CYS   21  11.70 +/- 3.68   6.441% *  0.2946% (0.22   0.02   0.02) =   0.060%
          QD2   LEU  115 - HB2   CYS   21  16.73 +/- 3.47   2.722% *  0.5933% (0.45   0.02   0.02) =   0.051%
    Distance limit 3.82 A violated in 3 structures by 0.54 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.76, residual support = 30.1:
      O T HA    CYS   21 - HB2   CYS   21   2.64 +/- 0.23  97.555% * 99.6850% (0.92  10.0 10.00   2.76  30.08) =  99.998%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.82 +/- 5.35   1.732% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   50 - HB2   CYS   21  21.61 +/- 4.97   0.331% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  23.59 +/- 5.78   0.232% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  23.77 +/- 2.64   0.150% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.783, support = 3.3, residual support = 6.86:
          HD2   HIS   22 - HB2   CYS   21   5.67 +/- 0.90  38.103% * 71.1876% (0.92   3.72   8.38) =  64.861%  kept
          HN    THR   23 - HB2   CYS   21   4.65 +/- 1.13  53.259% * 27.5462% (0.53   2.53   4.04) =  35.081%  kept
          HN    LEU   67 - HB2   CYS   21  14.83 +/- 3.21   2.890% *  0.3717% (0.90   0.02   0.02) =   0.026%
          QE    PHE   95 - HB2   CYS   21  14.91 +/- 2.95   2.435% *  0.2017% (0.49   0.02   0.02) =   0.012%
          HD1   TRP   49 - HB2   CYS   21  22.33 +/- 6.46   1.094% *  0.4108% (0.99   0.02   0.02) =   0.011%
          HD21  ASN   35 - HB2   CYS   21  15.79 +/- 2.44   1.504% *  0.2180% (0.53   0.02   0.02) =   0.008%
          QD    PHE   55 - HB2   CYS   21  22.08 +/- 3.59   0.716% *  0.0639% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 30.1:
      O   HN    CYS   21 - HB2   CYS   21   2.71 +/- 0.46  95.632% * 99.8294% (0.95  10.0   3.42  30.08) =  99.998%  kept
          HN    LYS+  33 - HB2   CYS   21  11.07 +/- 2.07   2.156% *  0.0640% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB2   CYS   21  20.42 +/- 4.00   0.985% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HB2   CYS   21  14.52 +/- 2.04   0.844% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  21.97 +/- 6.26   0.382% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.416, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB3   CYS   21  11.80 +/- 4.05  17.076% *  9.0526% (0.44   0.02   0.02) =  22.201%  kept
          HG    LEU  123 - HB3   CYS   21  22.47 +/- 4.81   7.450% * 13.7167% (0.67   0.02   0.02) =  14.676%  kept
          QB    LYS+  33 - HB3   CYS   21  10.50 +/- 2.06  19.400% *  4.7734% (0.23   0.02   0.02) =  13.300%  kept
          HG12  ILE  103 - HB3   CYS   21  16.97 +/- 4.35   5.555% * 11.2053% (0.55   0.02   0.02) =   8.939%  kept
          QB    LYS+  66 - HB3   CYS   21  15.80 +/- 2.77   7.462% *  6.2738% (0.31   0.02   0.02) =   6.723%  kept
          HG3   PRO   68 - HB3   CYS   21  19.78 +/- 3.34   5.582% *  7.9226% (0.39   0.02   0.02) =   6.352%  kept
          HB    ILE  103 - HB3   CYS   21  19.04 +/- 4.81   5.504% *  7.3624% (0.36   0.02   0.02) =   5.820%  kept
          HB3   PRO   52 - HB3   CYS   21  25.20 +/- 4.86   2.473% * 13.7167% (0.67   0.02   0.02) =   4.872%  kept
          HG2   ARG+  54 - HB3   CYS   21  22.20 +/- 5.42   4.416% *  6.8115% (0.33   0.02   0.02) =   4.320%  kept
          QB    LYS+  81 - HB3   CYS   21  17.79 +/- 7.11   8.841% *  3.1155% (0.15   0.02   0.02) =   3.956%  kept
          HG2   PRO   93 - HB3   CYS   21  19.00 +/- 4.51   6.961% *  3.1155% (0.15   0.02   0.02) =   3.115%  kept
          HB3   ASP- 105 - HB3   CYS   21  19.68 +/- 4.75   3.266% *  6.2738% (0.31   0.02   0.02) =   2.943%  kept
          QB    LYS+ 106 - HB3   CYS   21  17.87 +/- 3.13   3.568% *  2.7693% (0.14   0.02   0.02) =   1.419%  kept
          HB3   GLN   90 - HB3   CYS   21  23.08 +/- 5.77   2.445% *  3.8908% (0.19   0.02   0.02) =   1.366%  kept
    Distance limit 3.90 A violated in 17 structures by 3.99 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.604, support = 1.99, residual support = 3.23:
          QG2   THR   26 - HB3   CYS   21   4.60 +/- 2.14  49.868% * 75.0721% (0.60   2.18   2.44) =  88.345%  kept
          HB2   LYS+  74 - HB3   CYS   21   9.82 +/- 4.95  21.503% * 22.4539% (0.69   0.57   9.41) =  11.394%  kept
          HG2   LYS+  65 - HB3   CYS   21  15.96 +/- 4.16   5.033% *  0.6357% (0.55   0.02   0.02) =   0.075%
          QB    ALA  120 - HB3   CYS   21  19.92 +/- 4.17  10.514% *  0.2708% (0.23   0.02   0.02) =   0.067%
          HB3   LEU   40 - HB3   CYS   21  15.24 +/- 2.52   3.740% *  0.4495% (0.39   0.02   0.02) =   0.040%
          HD2   LYS+ 121 - HB3   CYS   21  21.18 +/- 5.12   2.702% *  0.5765% (0.50   0.02   0.02) =   0.037%
          HG    LEU  115 - HB3   CYS   21  20.49 +/- 4.57   3.828% *  0.2708% (0.23   0.02   0.02) =   0.024%
          QD    LYS+  66 - HB3   CYS   21  16.72 +/- 2.81   2.813% *  0.2708% (0.23   0.02   0.02) =   0.018%
    Distance limit 4.19 A violated in 3 structures by 0.65 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.553, support = 1.7, residual support = 8.66:
          QD1   LEU   73 - HB3   CYS   21   5.38 +/- 3.82  34.673% * 75.5440% (0.55   1.80   9.33) =  92.707%  kept
          QD2   LEU   63 - HB3   CYS   21  13.14 +/- 3.19   8.564% * 21.6291% (0.63   0.45   0.02) =   6.556%  kept
          QD2   LEU   80 - HB3   CYS   21  13.24 +/- 7.20  11.951% *  0.4299% (0.28   0.02   0.02) =   0.182%  kept
          QD1   LEU   63 - HB3   CYS   21  12.80 +/- 2.85   5.024% *  0.8373% (0.55   0.02   0.02) =   0.149%  kept
          QG2   VAL   41 - HB3   CYS   21   9.74 +/- 3.36   8.612% *  0.3925% (0.26   0.02   0.02) =   0.120%  kept
          QD1   LEU  104 - HB3   CYS   21  16.12 +/- 5.03  10.783% *  0.2328% (0.15   0.02   0.02) =   0.089%
          QD1   LEU   80 - HB3   CYS   21  14.04 +/- 7.75  10.560% *  0.2328% (0.15   0.02   0.02) =   0.087%
          QD2   LEU  115 - HB3   CYS   21  17.08 +/- 3.82   3.595% *  0.4688% (0.31   0.02   0.02) =   0.060%
          QD2   LEU   98 - HB3   CYS   21  12.07 +/- 3.71   6.237% *  0.2328% (0.15   0.02   0.02) =   0.051%
    Distance limit 4.00 A violated in 3 structures by 0.79 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.42, residual support = 30.1:
      O   HN    CYS   21 - HB3   CYS   21   3.28 +/- 0.45  91.986% * 99.8294% (0.65  10.0   3.42  30.08) =  99.996%  kept
          HN    LYS+  33 - HB3   CYS   21  11.38 +/- 2.27   3.179% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   CYS   21  20.89 +/- 4.40   2.708% *  0.0555% (0.36   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   CYS   21  21.98 +/- 6.32   0.918% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.00 +/- 1.92   1.210% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.695, residual support = 1.37:
          HN    TRP   27 - HB3   CYS   21   4.98 +/- 2.67  51.005% * 87.9576% (0.52   0.71   1.39) =  98.290%  kept
          HD1   TRP   87 - HB3   CYS   21  20.66 +/- 7.58   5.931% *  3.0060% (0.63   0.02   0.02) =   0.391%  kept
          HN    ALA   61 - HB3   CYS   21  15.83 +/- 4.18  15.633% *  1.1108% (0.23   0.02   0.02) =   0.380%  kept
          HN    LYS+ 102 - HB3   CYS   21  18.71 +/- 6.31  13.653% *  1.2222% (0.26   0.02   0.02) =   0.366%  kept
          HN    THR   39 - HB3   CYS   21  15.12 +/- 2.21   4.538% *  3.0804% (0.65   0.02   0.02) =   0.306%  kept
          HN    GLU-  36 - HB3   CYS   21  15.03 +/- 2.08   3.509% *  1.8436% (0.39   0.02   0.02) =   0.142%  kept
          HN    ALA   91 - HB3   CYS   21  20.85 +/- 5.32   3.542% *  1.3387% (0.28   0.02   0.02) =   0.104%  kept
          HE3   TRP   87 - HB3   CYS   21  23.53 +/- 7.30   2.189% *  0.4407% (0.09   0.02   0.02) =   0.021%
    Distance limit 4.18 A violated in 6 structures by 1.05 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.542, support = 3.49, residual support = 6.93:
          HD2   HIS   22 - HB3   CYS   21   5.46 +/- 1.04  37.034% * 73.9688% (0.63   4.05   8.38) =  66.448%  kept
          HN    THR   23 - HB3   CYS   21   4.22 +/- 1.17  55.647% * 24.8233% (0.36   2.39   4.04) =  33.507%  kept
          HN    LEU   67 - HB3   CYS   21  15.55 +/- 3.00   1.882% *  0.3546% (0.62   0.02   0.02) =   0.016%
          HD1   TRP   49 - HB3   CYS   21  22.37 +/- 6.57   1.118% *  0.3919% (0.68   0.02   0.02) =   0.011%
          QE    PHE   95 - HB3   CYS   21  15.28 +/- 3.11   2.189% *  0.1925% (0.33   0.02   0.02) =   0.010%
          HD21  ASN   35 - HB3   CYS   21  16.12 +/- 2.66   1.438% *  0.2080% (0.36   0.02   0.02) =   0.007%
          QD    PHE   55 - HB3   CYS   21  22.28 +/- 4.01   0.693% *  0.0610% (0.11   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.77, residual support = 30.1:
      O T HA    CYS   21 - HB3   CYS   21   2.62 +/- 0.24  96.556% * 99.6850% (0.63  10.0 10.00   2.77  30.08) =  99.997%  kept
          HA    LYS+ 102 - HB3   CYS   21  19.14 +/- 5.60   2.549% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   50 - HB3   CYS   21  21.70 +/- 5.38   0.465% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  23.65 +/- 6.08   0.274% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  24.06 +/- 3.12   0.156% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.709, support = 2.93, residual support = 33.9:
      O   HD2   HIS   22 - HB2   HIS   22   3.94 +/- 0.05  55.980% * 87.2440% (0.74  10.0   2.71  35.22) =  90.493%  kept
          HN    THR   23 - HB2   HIS   22   4.38 +/- 0.24  41.140% * 12.4673% (0.42   1.0   5.01  21.66) =   9.504%  kept
          HN    LEU   67 - HB2   HIS   22  18.47 +/- 2.49   0.621% *  0.0848% (0.72   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   HIS   22  23.78 +/- 6.57   0.551% *  0.0937% (0.79   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB2   HIS   22  18.45 +/- 3.18   0.863% *  0.0460% (0.39   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  21.12 +/- 2.19   0.407% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  24.20 +/- 4.89   0.439% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.932, support = 3.33, residual support = 35.0:
      O   HD2   HIS   22 - HB3   HIS   22   2.99 +/- 0.25  72.153% * 94.8213% (0.95  10.0   3.28  35.22) =  98.139%  kept
          HN    THR   23 - HB3   HIS   22   4.27 +/- 0.17  26.251% *  4.9382% (0.18   1.0   5.63  21.66) =   1.860%  kept
          HD21  ASN   35 - HB3   HIS   22  20.23 +/- 2.35   0.271% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  24.08 +/- 6.52   0.282% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  18.12 +/- 2.59   0.422% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  18.34 +/- 3.19   0.620% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.342, support = 3.45, residual support = 21.6:
          QG2   THR   23 - HB3   HIS   22   3.82 +/- 0.58  83.926% * 96.1325% (0.34   3.45  21.66) =  99.801%  kept
          QG2   THR   77 - HB3   HIS   22  15.13 +/- 3.76   6.913% *  1.6170% (0.99   0.02   0.02) =   0.138%  kept
          HG2   LYS+  99 - HB3   HIS   22  22.61 +/- 7.19   7.625% *  0.4536% (0.28   0.02   0.02) =   0.043%
          QB    ALA   88 - HB3   HIS   22  22.42 +/- 4.52   0.904% *  1.1847% (0.73   0.02   0.02) =   0.013%
          HG2   LYS+  38 - HB3   HIS   22  21.84 +/- 2.49   0.632% *  0.6123% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.02 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.428, support = 2.96, residual support = 10.6:
          HN    ALA   47 - HB    THR   46   3.85 +/- 0.55  80.974% * 69.7912% (0.38   3.20  11.64) =  90.768%  kept
          QD    PHE   95 - HB    THR   46   7.96 +/- 2.21  19.026% * 30.2088% (0.95   0.55   0.02) =   9.232%  kept
    Distance limit 4.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 34.2:
      O   HN    THR   46 - HB    THR   46   3.11 +/- 0.50  74.609% * 99.6646% (0.87  10.0   3.23  34.24) =  99.973%  kept
          HN    MET   92 - HB    THR   46   7.49 +/- 2.56  20.561% *  0.0789% (0.69   1.0   0.02   0.02) =   0.022%
          HN    LYS+  74 - HB    THR   46  12.09 +/- 3.00   2.448% *  0.1126% (0.98   1.0   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HB    THR   46  13.84 +/- 2.95   2.281% *  0.0604% (0.53   1.0   0.02   0.02) =   0.002%
          HN    MET   11 - HB    THR   46  32.23 +/- 5.25   0.102% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.419, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  18.39 +/- 3.41  14.379% * 28.3087% (0.14 10.00   0.02   0.02) =  33.602%  kept
          QG2   THR   77 - HB2   HIS   22  14.93 +/- 3.46  21.154% * 12.9434% (0.64  1.00   0.02   0.02) =  22.602%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.39 +/- 7.18  13.139% * 11.7377% (0.58  1.00   0.02   0.02) =  12.731%  kept
          QB    ALA   88 - HB2   HIS   22  22.11 +/- 4.45   6.710% * 16.1643% (0.80  1.00   0.02   0.02) =   8.954%  kept
          HB3   LEU   80 - HB2   HIS   22  17.95 +/- 7.80  21.707% *  4.0306% (0.20  1.00   0.02   0.02) =   7.222%  kept
          HB2   LEU   31 - HB2   HIS   22  16.05 +/- 1.02  14.393% *  6.0667% (0.30  1.00   0.02   0.02) =   7.208%  kept
          HG2   LYS+  38 - HB2   HIS   22  22.85 +/- 2.42   5.007% * 13.5016% (0.67  1.00   0.02   0.02) =   5.580%  kept
          HG2   LYS+ 111 - HB2   HIS   22  28.22 +/- 5.87   3.512% *  7.2470% (0.36  1.00   0.02   0.02) =   2.101%  kept
    Distance limit 4.07 A violated in 20 structures by 6.67 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.47, residual support = 16.6:
      O   HN    CYS   21 - HA    ALA   20   2.22 +/- 0.02  98.788% * 99.8294% (0.95  10.0   3.47  16.64) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  12.91 +/- 1.14   0.547% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  19.93 +/- 3.21   0.211% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  15.78 +/- 1.60   0.311% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  23.26 +/- 6.42   0.143% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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  12.97 +/- 7.28 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.31 A violated in 20 structures by 9.67 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.656, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22  12.57 +/- 7.42  41.551% * 18.5628% (0.57   0.02   0.02) =  38.837%  kept
          QG    GLN   32 - HA    HIS   22  16.03 +/- 1.28  17.589% * 27.4474% (0.85   0.02   0.02) =  24.308%  kept
          HB    VAL  107 - HA    HIS   22  21.03 +/- 3.88  13.356% * 26.5475% (0.82   0.02   0.02) =  17.854%  kept
          QE    LYS+ 112 - HA    HIS   22  21.75 +/- 4.62  14.329% * 13.7211% (0.42   0.02   0.02) =   9.900%  kept
          HB3   PHE   45 - HA    HIS   22  17.16 +/- 3.89  13.174% * 13.7211% (0.42   0.02   0.02) =   9.102%  kept
    Distance limit 3.42 A violated in 18 structures by 5.94 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.426, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   8.96 +/- 3.55  30.378% * 28.4146% (0.26 10.00   0.02   0.02) =  65.664%  kept
          QD    LYS+ 102 - HA    HIS   22  22.08 +/- 6.43  12.269% *  9.8627% (0.91  1.00   0.02   0.02) =   9.206%  kept
          HB    VAL   83 - HA    HIS   22  18.06 +/- 7.04   9.544% *  8.1833% (0.76  1.00   0.02   0.02) =   5.941%  kept
          QD    LYS+  65 - HA    HIS   22  14.75 +/- 3.46   8.444% *  7.4210% (0.69  1.00   0.02   0.02) =   4.767%  kept
          HG3   PRO   93 - HA    HIS   22  19.81 +/- 4.22   5.383% *  8.5362% (0.79  1.00   0.02   0.02) =   3.495%  kept
          HB2   LEU  123 - HA    HIS   22  24.97 +/- 4.90   5.457% *  8.1833% (0.76  1.00   0.02   0.02) =   3.397%  kept
          HD2   LYS+  74 - HA    HIS   22  11.75 +/- 4.47  15.711% *  1.7898% (0.17  1.00   0.02   0.02) =   2.139%  kept
          QD    LYS+  38 - HA    HIS   22  20.24 +/- 2.73   2.773% *  9.4340% (0.87  1.00   0.02   0.02) =   1.990%  kept
          HB2   LYS+ 121 - HA    HIS   22  23.41 +/- 6.06   2.863% *  7.0200% (0.65  1.00   0.02   0.02) =   1.529%  kept
          HB3   MET   92 - HA    HIS   22  20.95 +/- 3.45   2.769% *  4.2014% (0.39  1.00   0.02   0.02) =   0.885%  kept
          HD2   LYS+ 111 - HA    HIS   22  27.65 +/- 5.95   1.581% *  5.3768% (0.50  1.00   0.02   0.02) =   0.647%  kept
          QD    LYS+ 106 - HA    HIS   22  20.31 +/- 4.71   2.828% *  1.5768% (0.15  1.00   0.02   0.02) =   0.339%  kept
    Distance limit 3.57 A violated in 19 structures by 3.21 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.366, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.71 +/- 0.38  78.900% * 67.5049% (0.39   0.02   0.02) =  88.595%  kept
          HN    LEU   40 - HA    HIS   22  18.28 +/- 2.79  21.100% * 32.4951% (0.19   0.02   0.02) =  11.405%  kept
    Distance limit 3.72 A violated in 20 structures by 6.86 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.38, residual support = 25.8:
      O   HN    VAL   24 - HA    THR   23   2.32 +/- 0.20 100.000% *100.0000% (0.64  10.0   5.38  25.78) = 100.000%  kept
    Distance limit 3.27 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 = 5.28, residual support = 25.8:
          HN    VAL   24 - HB    THR   23   3.79 +/- 0.61 100.000% *100.0000% (0.49   5.28  25.78) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.39 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   3.13 +/- 0.53  45.629% * 63.2219% (0.73   4.88  19.16) =  86.248%  kept
          HD2   HIS   22 - QG2   THR   23   5.05 +/- 1.00  13.097% * 34.9840% (0.76   2.56  21.66) =  13.699%  kept
          HD1   TRP   49 - QB    ALA   91   7.80 +/- 3.25  15.840% *  0.0337% (0.09   0.02   0.02) =   0.016%
          HE3   TRP   27 - QG2   THR   23   8.74 +/- 0.79   2.713% *  0.0795% (0.22   0.02   1.24) =   0.006%
          HN    LEU   67 - QG2   THR   39  10.58 +/- 1.82   1.786% *  0.0788% (0.22   0.02   0.02) =   0.004%
          HD21  ASN   35 - QG2   THR   39   8.89 +/- 1.86   4.778% *  0.0271% (0.08   0.02   0.02) =   0.004%
          HN    LEU   67 - QG2   THR   23  16.75 +/- 2.08   0.337% *  0.3539% (0.99   0.02   0.02) =   0.004%
          QE    PHE   95 - QG2   THR   23  16.29 +/- 1.88   0.432% *  0.2452% (0.69   0.02   0.02) =   0.003%
          HD1   TRP   49 - QG2   THR   23  21.02 +/- 4.78   0.257% *  0.3202% (0.90   0.02   0.02) =   0.002%
          QE    PHE   95 - QG2   THR   39  13.59 +/- 2.49   1.227% *  0.0546% (0.15   0.02   0.02) =   0.002%
          HD2   HIS   22 - QG2   THR   39  13.87 +/- 3.07   1.091% *  0.0607% (0.17   0.02   0.02) =   0.002%
          QE    PHE   95 - QB    ALA   91   8.88 +/- 1.00   2.317% *  0.0258% (0.07   0.02   0.02) =   0.002%
          HD21  ASN   35 - QG2   THR   23  16.36 +/- 1.11   0.404% *  0.1218% (0.34   0.02   0.02) =   0.001%
          HN    THR   23 - QG2   THR   39  14.33 +/- 2.82   0.701% *  0.0577% (0.16   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    ALA   91  11.05 +/- 2.47   3.845% *  0.0104% (0.03   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG2   THR   39   9.87 +/- 2.32   2.239% *  0.0177% (0.05   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  17.57 +/- 3.13   0.891% *  0.0372% (0.10   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   THR   23  21.22 +/- 3.46   0.269% *  0.0993% (0.28   0.02   0.02) =   0.001%
          HN    THR   23 - QB    ALA   91  17.45 +/- 3.37   0.551% *  0.0273% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.14 +/- 2.85   0.152% *  0.0713% (0.20   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  19.50 +/- 3.36   0.288% *  0.0287% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.78 +/- 2.37   0.288% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  16.30 +/- 2.75   0.693% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.05 +/- 2.77   0.175% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 10.7:
          HB3   ASP-  86 - HA    VAL   83   2.83 +/- 0.86  96.891% * 91.4833% (0.34   1.83  10.74) =  99.918%  kept
          HG3   MET   96 - HA    VAL   83  15.08 +/- 5.50   1.748% *  2.9267% (1.00   0.02   0.02) =   0.058%
          HB3   ASP-  62 - HA    VAL   83  22.55 +/- 3.30   0.530% *  2.2367% (0.76   0.02   0.02) =   0.013%
          HG2   GLU-  36 - HA    VAL   83  28.86 +/- 5.62   0.201% *  2.7017% (0.92   0.02   0.02) =   0.006%
          HG2   GLU-  29 - HA    VAL   83  25.34 +/- 8.00   0.630% *  0.6516% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.7:
        T HB2   ASP-  86 - HA    VAL   83   2.62 +/- 0.71  86.804% * 99.6258% (0.98 10.00   2.25  10.74) =  99.994%  kept
          HB2   ASP-  78 - HA    VAL   83  10.52 +/- 1.79  10.824% *  0.0283% (0.28  1.00   0.02   0.02) =   0.004%
          HB2   ASN   28 - HA    VAL   83  21.70 +/- 8.03   1.207% *  0.0912% (0.90  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    VAL   83  19.55 +/- 4.35   0.586% *  0.0996% (0.98  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    VAL   83  23.30 +/- 5.85   0.309% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  26.32 +/- 6.40   0.269% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.69, residual support = 85.2:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.01  98.433% * 99.7575% (0.57  10.0   4.69  85.24) =  99.998%  kept
          HN    CYS   50 - HA    VAL   83  16.41 +/- 2.87   0.766% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  15.79 +/- 3.02   0.801% *  0.0724% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 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 = 10.7:
          HN    ASP-  86 - HA    VAL   83   3.05 +/- 0.24  96.876% * 97.0740% (0.95   2.25  10.74) =  99.979%  kept
          HN    GLN   30 - HA    VAL   83  22.00 +/- 7.51   0.991% *  0.8941% (0.98   0.02   0.02) =   0.009%
          HN    GLU-  29 - HA    VAL   83  22.45 +/- 7.75   1.001% *  0.5164% (0.57   0.02   0.02) =   0.005%
          HN    LYS+  99 - HA    VAL   83  21.06 +/- 6.52   0.617% *  0.4090% (0.45   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    VAL   83  25.37 +/- 5.30   0.298% *  0.4799% (0.53   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    VAL   83  31.10 +/- 7.64   0.217% *  0.6266% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.10 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 = 0.717, support = 4.15, residual support = 15.6:
          HD1   TRP   87 - HA    VAL   83   3.74 +/- 0.29  77.640% * 87.3072% (0.73   4.21  15.59) =  98.016%  kept
          HE3   TRP   87 - HA    VAL   83   7.79 +/- 0.77  12.439% * 10.7144% (0.28   1.35  15.59) =   1.927%  kept
          HN    TRP   27 - HA    VAL   83  20.21 +/- 8.09   3.125% *  0.5406% (0.95   0.02   0.02) =   0.024%
          HN    ALA   91 - HA    VAL   83  10.66 +/- 1.33   4.374% *  0.3697% (0.65   0.02   0.02) =   0.023%
          HN    ALA   61 - HA    VAL   83  19.49 +/- 2.37   0.724% *  0.3235% (0.57   0.02   0.02) =   0.003%
          HN    THR   39 - HA    VAL   83  25.24 +/- 5.59   0.438% *  0.4367% (0.76   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HA    VAL   83  22.47 +/- 6.86   0.860% *  0.1131% (0.20   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    VAL   83  26.70 +/- 6.04   0.399% *  0.1949% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.683, support = 1.59, residual support = 2.82:
          QD1   LEU   73 - HA    VAL   24   5.45 +/- 3.16  30.894% * 58.2985% (0.80   1.67   2.80) =  72.090%  kept
          QD2   LEU   80 - HA    VAL   24  11.77 +/- 7.44  18.861% * 29.0625% (0.41   1.62   3.21) =  21.941%  kept
          QD1   LEU   80 - HA    VAL   24  12.74 +/- 7.81  13.078% *  5.9255% (0.22   0.61   3.21) =   3.102%  kept
          QD1   LEU  104 - HA    VAL   24  16.15 +/- 6.32  13.763% *  4.3004% (0.22   0.44   0.02) =   2.369%  kept
          QD2   LEU   63 - HA    VAL   24  14.44 +/- 3.44   6.885% *  0.8041% (0.92   0.02   0.02) =   0.222%  kept
          QD1   LEU   63 - HA    VAL   24  13.90 +/- 3.49   6.643% *  0.6975% (0.80   0.02   0.02) =   0.185%  kept
          QD2   LEU   98 - HA    VAL   24  11.96 +/- 4.30   7.469% *  0.1939% (0.22   0.02   0.02) =   0.058%
          QG2   VAL   41 - HA    VAL   24  10.93 +/- 3.03   1.920% *  0.3269% (0.38   0.02   0.02) =   0.025%
          QD2   LEU  115 - HA    VAL   24  17.81 +/- 4.01   0.488% *  0.3905% (0.45   0.02   0.02) =   0.008%
    Distance limit 3.15 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.9:
      O T HB    VAL   24 - HA    VAL   24   2.53 +/- 0.29  96.402% * 98.9275% (1.00  10.0 10.00   3.97  64.94) =  99.995%  kept
        T HB2   PRO   68 - HA    VAL   24  21.71 +/- 3.43   0.269% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          QB    GLN   32 - HA    VAL   24  10.70 +/- 0.65   1.382% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    VAL   24  19.32 +/- 5.84   0.888% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    VAL   24  21.86 +/- 5.10   0.940% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  25.91 +/- 4.01   0.119% *  0.0153% (0.15   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 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 23.2:
        T HB3   TRP   27 - HA    VAL   24   3.68 +/- 0.32  78.635% * 99.7179% (1.00 10.00   3.00  23.23) =  99.982%  kept
          HB2   PHE   97 - HA    VAL   24  17.82 +/- 5.80   7.739% *  0.0991% (0.99  1.00   0.02   0.02) =   0.010%
          QE    LYS+  99 - HA    VAL   24  16.93 +/- 5.63   9.890% *  0.0486% (0.49  1.00   0.02   0.02) =   0.006%
          QE    LYS+ 106 - HA    VAL   24  18.18 +/- 4.81   1.278% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    VAL   24  16.83 +/- 3.12   1.493% *  0.0448% (0.45  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  17.84 +/- 2.50   0.965% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 64.9:
      O   HN    VAL   24 - HA    VAL   24   2.77 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.34  64.94) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.871, support = 5.75, residual support = 31.6:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.03  53.921% * 84.4161% (0.92  10.0   5.65  34.13) =  86.822%  kept
          HN    ASN   28 - HA    VAL   24   3.84 +/- 0.26  44.572% * 15.4974% (0.53   1.0   6.44  14.76) =  13.175%  kept
          HN    ASP-  44 - HA    VAL   24  12.81 +/- 2.55   1.507% *  0.0865% (0.95   1.0   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 23.2:
          HN    TRP   27 - HA    VAL   24   3.04 +/- 0.14  93.465% * 94.6735% (0.45   3.04  23.23) =  99.929%  kept
          HD1   TRP   87 - HA    VAL   24  19.49 +/- 7.41   2.314% *  1.3762% (0.99   0.02   0.02) =   0.036%
          HN    LYS+ 102 - HA    VAL   24  19.03 +/- 5.89   1.015% *  0.9538% (0.69   0.02   0.02) =   0.011%
          HN    THR   39 - HA    VAL   24  16.74 +/- 1.51   0.630% *  1.3610% (0.98   0.02   0.02) =   0.010%
          HN    GLU-  36 - HA    VAL   24  15.80 +/- 0.62   0.698% *  1.2044% (0.87   0.02   0.02) =   0.009%
          HN    ALA   61 - HA    VAL   24  17.01 +/- 3.15   1.104% *  0.1879% (0.14   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    VAL   24  20.08 +/- 4.37   0.774% *  0.2432% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.24, residual support = 64.9:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  93.261% * 98.9402% (0.98  10.0 10.00   3.24  64.94) =  99.996%  kept
          QG1   VAL  107 - HB    VAL   24  17.21 +/- 4.66   1.367% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   24 - HB2   PRO   68  20.43 +/- 3.32   0.171% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.38 +/- 0.71   0.625% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   8.95 +/- 1.64   2.256% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.40 +/- 4.10   0.517% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.82 +/- 5.58   0.251% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.13 +/- 2.72   0.284% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.75 +/- 5.39   0.113% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  18.80 +/- 3.48   0.254% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.42 +/- 3.38   0.115% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.66 +/- 3.84   0.785% *  0.0081% (0.08   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.2, residual support = 64.9:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.02  96.455% * 99.6470% (1.00  10.0   3.20  64.94) =  99.998%  kept
          HG    LEU   63 - HB2   PRO   68  10.99 +/- 1.96   0.971% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          HG    LEU   63 - HB    VAL   24  18.39 +/- 3.97   0.383% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  17.21 +/- 4.66   1.462% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  19.48 +/- 3.10   0.195% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  24.23 +/- 5.26   0.117% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  22.03 +/- 3.26   0.119% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.13 +/- 2.72   0.299% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.627, support = 1.54, residual support = 2.98:
          QD2   LEU   80 - HB    VAL   24  11.63 +/- 7.37  20.784% * 59.4505% (0.80   1.47   3.21) =  54.365%  kept
          QD1   LEU   73 - HB    VAL   24   6.82 +/- 3.12  29.019% * 34.6064% (0.41   1.67   2.80) =  44.184%  kept
          QD1   LEU  104 - HB    VAL   24  17.17 +/- 6.32  14.902% *  0.9720% (0.97   0.02   0.02) =   0.637%  kept
          QG1   VAL   83 - HB    VAL   24  13.39 +/- 6.65   9.714% *  0.8736% (0.87   0.02   0.02) =   0.373%  kept
          QD1   LEU   63 - HB    VAL   24  14.94 +/- 3.61   9.044% *  0.4141% (0.41   0.02   0.02) =   0.165%  kept
          QD2   LEU  115 - HB    VAL   24  18.22 +/- 4.55   1.843% *  0.7697% (0.76   0.02   0.02) =   0.062%
          QD1   LEU   63 - HB2   PRO   68   9.70 +/- 1.69   5.188% *  0.2449% (0.24   0.02   0.02) =   0.056%
          QD2   LEU   80 - HB2   PRO   68  19.65 +/- 4.56   1.983% *  0.4771% (0.47   0.02   0.02) =   0.042%
          QD1   LEU  104 - HB2   PRO   68  16.08 +/- 4.62   1.470% *  0.5750% (0.57   0.02   0.02) =   0.037%
          QD1   LEU   73 - HB2   PRO   68  14.13 +/- 2.37   2.410% *  0.2449% (0.24   0.02   0.02) =   0.026%
          QD2   LEU  115 - HB2   PRO   68  15.54 +/- 2.19   1.092% *  0.4553% (0.45   0.02   0.02) =   0.022%
          QG1   VAL   83 - HB2   PRO   68  21.14 +/- 4.13   0.609% *  0.5168% (0.51   0.02   0.02) =   0.014%
          QG2   ILE   89 - HB    VAL   24  15.73 +/- 4.24   1.065% *  0.2511% (0.25   0.02   0.02) =   0.012%
          QG2   ILE   89 - HB2   PRO   68  21.54 +/- 3.99   0.877% *  0.1486% (0.15   0.02   0.02) =   0.006%
    Distance limit 3.97 A violated in 3 structures by 0.40 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.87, support = 4.02, residual support = 64.0:
      O T HA    VAL   24 - HB    VAL   24   2.53 +/- 0.29  76.026% * 89.0301% (0.90  10.0 10.00   3.97  64.94) =  96.679%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.92 +/- 0.13  22.590% * 10.2842% (0.10  10.0  1.00   5.47  36.05) =   3.318%  kept
        T HA    VAL   24 - HB2   PRO   68  21.71 +/- 3.43   0.207% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB2   PRO   68  15.16 +/- 2.74   0.783% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.33 +/- 1.17   0.197% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  21.68 +/- 2.95   0.198% *  0.0174% (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 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 64.9:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.02  95.841% * 98.6521% (0.92  10.0 10.00   3.24  64.94) =  99.996%  kept
        T HB2   PRO   68 - QG1   VAL   24  20.43 +/- 3.32   0.176% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - QG1   VAL   24  17.91 +/- 5.24   1.472% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLN   32 - QG1   VAL   24  10.56 +/- 0.74   0.808% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QG1   VAL   24  19.37 +/- 5.30   1.181% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.13 +/- 2.58   0.211% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  21.92 +/- 4.05   0.153% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  23.40 +/- 4.92   0.159% *  0.0238% (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 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.385, support = 5.56, residual support = 30.8:
      O   HN    ASN   69 - HB2   PRO   68   3.65 +/- 0.61  43.610% * 43.6366% (0.20  10.0   5.84  30.96) =  53.659%  kept
          HN    GLU-  25 - HB    VAL   24   3.76 +/- 0.56  40.506% * 33.4033% (0.53   1.0   5.87  34.13) =  38.152%  kept
          HN    ASN   28 - HB    VAL   24   5.66 +/- 0.22  12.891% * 22.5061% (0.92   1.0   2.25  14.76) =   8.181%  kept
          HN    ASP-  44 - HB    VAL   24  13.62 +/- 2.84   1.255% *  0.1224% (0.57   1.0   0.02   0.02) =   0.004%
          HN    ASP-  44 - HB2   PRO   68  15.68 +/- 2.44   0.832% *  0.0724% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ASN   28 - HB2   PRO   68  21.39 +/- 3.23   0.354% *  0.1181% (0.55   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  21.52 +/- 2.75   0.305% *  0.0738% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  24.25 +/- 3.37   0.246% *  0.0673% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 64.9:
      O   HN    VAL   24 - HB    VAL   24   2.51 +/- 0.14  99.792% * 99.9409% (0.38  10.0   4.68  64.94) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.45 +/- 3.50   0.208% *  0.0591% (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 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 64.9:
          HN    VAL   24 - QG1   VAL   24   2.02 +/- 0.20 100.000% *100.0000% (0.73   4.09  64.94) = 100.000%  kept
    Distance limit 3.27 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 = 0.423, support = 6.03, residual support = 124.7:
      O   HN    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.37  84.827% * 88.5755% (0.41  10.0   6.14 127.37) =  97.875%  kept
          HN    ASN   28 - HB2   GLU-  25   5.61 +/- 0.18  14.522% * 11.2313% (0.98   1.0   1.06   3.89) =   2.125%  kept
          HN    ASP-  44 - HB2   GLU-  25  18.20 +/- 2.43   0.444% *  0.0966% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  23.28 +/- 2.41   0.208% *  0.0966% (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 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.426, support = 5.75, residual support = 124.2:
      O   HN    GLU-  25 - HB3   GLU-  25   2.46 +/- 0.64  88.562% * 82.0746% (0.41  10.0   5.86 127.37) =  97.412%  kept
          HN    ASN   28 - HB3   GLU-  25   5.80 +/- 0.12  10.878% * 17.7464% (0.98   1.0   1.81   3.89) =   2.587%  kept
          HN    ASP-  44 - HB3   GLU-  25  18.18 +/- 2.60   0.353% *  0.0895% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  23.80 +/- 2.39   0.207% *  0.0895% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 32.1:
          HN    THR   26 - HB3   GLU-  25   3.50 +/- 0.29  98.873% * 98.7377% (0.34   5.23  32.09) =  99.993%  kept
          HN    LEU   71 - HB3   GLU-  25  19.63 +/- 1.43   0.609% *  0.8465% (0.76   0.02   0.02) =   0.005%
          HN    GLU- 114 - HB3   GLU-  25  29.17 +/- 5.28   0.518% *  0.4157% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.93, residual support = 2.87:
          HN    SER   85 - HA    SER   82   3.53 +/- 0.12  78.231% * 86.5330% (0.26   2.96   2.90) =  98.829%  kept
          HN    LEU   80 - HA    SER   82   7.36 +/- 0.79  10.225% *  6.2878% (0.10   0.56   0.44) =   0.939%  kept
          HN    GLN   32 - HA    GLU-  25   9.62 +/- 0.71   4.090% *  2.2563% (1.00   0.02   0.02) =   0.135%  kept
          HN    SER   85 - HA    GLU-  25  22.91 +/- 7.86   1.613% *  1.8067% (0.80   0.02   0.02) =   0.043%
          HN    ALA   34 - HA    GLU-  25  12.17 +/- 0.67   1.983% *  0.9276% (0.41   0.02   0.02) =   0.027%
          HN    LEU   80 - HA    GLU-  25  18.60 +/- 6.53   1.653% *  0.6964% (0.31   0.02   0.02) =   0.017%
          HN    GLN   32 - HA    SER   82  24.64 +/- 6.83   0.621% *  0.7309% (0.32   0.02   0.02) =   0.007%
          HN    ALA   34 - HA    SER   82  25.33 +/- 5.84   0.427% *  0.3005% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    GLU-  25  26.62 +/- 4.01   0.354% *  0.3481% (0.15   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    SER   82  19.80 +/- 4.02   0.804% *  0.1128% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.488, support = 5.5, residual support = 110.6:
      O   HN    GLU-  25 - HA    GLU-  25   2.72 +/- 0.03  68.534% * 72.0004% (0.41  10.0   5.86 127.37) =  86.419%  kept
          HN    ASN   28 - HA    GLU-  25   3.70 +/- 0.19  27.977% * 27.7128% (0.98   1.0   3.23   3.89) =  13.579%  kept
          HN    ASN   28 - HA    SER   82  21.16 +/- 8.27   0.774% *  0.0556% (0.32   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  20.77 +/- 9.30   1.684% *  0.0233% (0.13   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  16.80 +/- 2.46   0.337% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  22.54 +/- 2.43   0.146% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  16.10 +/- 2.90   0.449% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  26.88 +/- 3.55   0.099% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.337, support = 3.96, residual support = 8.13:
          HN    ALA   84 - HA    SER   82   4.08 +/- 0.14  51.015% * 52.7880% (0.20   5.32  10.37) =  65.449%  kept
          HD21  ASN   28 - HA    GLU-  25   4.71 +/- 0.20  33.617% * 42.1524% (0.61   1.38   3.89) =  34.439%  kept
          HD21  ASN   28 - HA    SER   82  19.31 +/- 8.53   4.616% *  0.1984% (0.20   0.02   0.02) =   0.022%
          HN    LEU   63 - HA    GLU-  25  20.61 +/- 3.88   0.769% *  1.0010% (0.99   0.02   0.02) =   0.019%
          HN    ALA   84 - HA    GLU-  25  21.37 +/- 7.27   1.135% *  0.6126% (0.61   0.02   0.02) =   0.017%
          HZ2   TRP   87 - HA    GLU-  25  23.37 +/- 9.06   1.175% *  0.4152% (0.41   0.02   0.02) =   0.012%
          HE21  GLN   32 - HA    GLU-  25  12.58 +/- 1.57   2.088% *  0.2249% (0.22   0.02   0.02) =   0.011%
          HZ2   TRP   87 - HA    SER   82  10.29 +/- 0.85   3.410% *  0.1345% (0.13   0.02   0.02) =   0.011%
          HN    ILE   56 - HA    GLU-  25  25.74 +/- 3.94   0.322% *  0.9554% (0.95   0.02   0.02) =   0.007%
          HN    LYS+ 111 - HA    GLU-  25  27.48 +/- 4.85   0.253% *  0.6126% (0.61   0.02   0.02) =   0.004%
          HN    ILE   56 - HA    SER   82  22.03 +/- 3.30   0.478% *  0.3095% (0.31   0.02   0.02) =   0.004%
          HN    LEU   63 - HA    SER   82  22.97 +/- 2.73   0.338% *  0.3243% (0.32   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HA    SER   82  22.72 +/- 4.16   0.472% *  0.1984% (0.20   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    SER   82  28.44 +/- 6.96   0.313% *  0.0728% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.962, support = 1.14, residual support = 3.74:
          HB2   ASN   28 - HA    GLU-  25   3.39 +/- 0.53  66.725% * 80.1856% (0.99   1.16   3.89) =  96.182%  kept
          HB2   ASP-  86 - HA    SER   82   6.03 +/- 0.99  16.229% * 12.3672% (0.24   0.75   0.02) =   3.608%  kept
          QE    LYS+  33 - HA    GLU-  25  11.14 +/- 1.61   3.167% *  1.3938% (1.00   0.02   0.02) =   0.079%
          QE    LYS+  65 - HA    GLU-  25  19.20 +/- 3.83   1.927% *  1.2895% (0.92   0.02   0.02) =   0.045%
          HB2   ASP-  86 - HA    GLU-  25  22.96 +/- 8.50   1.642% *  1.0143% (0.73   0.02   0.02) =   0.030%
          HB2   ASP-  78 - HA    SER   82  10.29 +/- 1.69   3.060% *  0.2745% (0.20   0.02   0.02) =   0.015%
          HB2   ASN   28 - HA    SER   82  22.51 +/- 8.37   1.175% *  0.4485% (0.32   0.02   0.02) =   0.009%
          HB2   ASP-  78 - HA    GLU-  25  20.40 +/- 4.73   0.497% *  0.8472% (0.61   0.02   0.02) =   0.008%
          HB2   ASN   35 - HA    GLU-  25  16.34 +/- 1.29   0.766% *  0.5243% (0.38   0.02   0.02) =   0.007%
          HB2   ASP-  76 - HA    GLU-  25  17.16 +/- 4.90   0.987% *  0.2764% (0.20   0.02   0.02) =   0.005%
          HB2   ASP-  76 - HA    SER   82  11.24 +/- 1.36   2.271% *  0.0895% (0.06   0.02   0.02) =   0.004%
          QE    LYS+  33 - HA    SER   82  24.46 +/- 5.46   0.375% *  0.4515% (0.32   0.02   0.02) =   0.003%
          QE    LYS+  65 - HA    SER   82  20.68 +/- 4.54   0.389% *  0.4177% (0.30   0.02   0.02) =   0.003%
          HB2   ASN   35 - HA    SER   82  27.78 +/- 5.91   0.345% *  0.1698% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    GLU-  25  23.51 +/- 2.19   0.267% *  0.1890% (0.14   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  28.03 +/- 4.23   0.180% *  0.0612% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.319, support = 2.77, residual support = 10.3:
          QB    ALA   84 - HA    SER   82   4.43 +/- 0.13  46.318% * 79.0339% (0.32   2.80  10.37) =  99.147%  kept
          HB3   LEU   80 - HA    SER   82   6.39 +/- 1.02  19.165% *  0.2777% (0.16   0.02   0.44) =   0.144%  kept
          HG    LEU   98 - HA    GLU-  25  17.55 +/- 5.30   1.886% *  1.6661% (0.95   0.02   0.02) =   0.085%
          HB2   LEU   31 - HA    GLU-  25   9.29 +/- 0.47   5.226% *  0.6008% (0.34   0.02   0.02) =   0.085%
          QB    ALA   84 - HA    GLU-  25  18.56 +/- 5.50   1.630% *  1.7457% (0.99   0.02   0.02) =   0.077%
          HB3   LEU   73 - HA    GLU-  25  12.01 +/- 2.94   3.165% *  0.7241% (0.41   0.02   0.02) =   0.062%
          HB3   LEU   80 - HA    GLU-  25  19.05 +/- 7.46   2.031% *  0.8573% (0.49   0.02   0.02) =   0.047%
          QB    ALA  124 - HA    GLU-  25  24.82 +/- 6.29   1.129% *  1.5278% (0.87   0.02   0.02) =   0.047%
          HB3   PRO   93 - HA    GLU-  25  21.74 +/- 3.46   0.838% *  1.7574% (1.00   0.02   0.02) =   0.040%
          HG3   LYS+  33 - HA    GLU-  25  12.50 +/- 1.39   2.374% *  0.4897% (0.28   0.02   0.02) =   0.031%
          HB2   LEU   63 - HA    GLU-  25  20.02 +/- 3.76   1.071% *  1.0683% (0.61   0.02   0.02) =   0.031%
          HB3   ASP-  44 - HA    GLU-  25  18.24 +/- 2.35   0.808% *  1.2790% (0.73   0.02   0.02) =   0.028%
          HB3   PRO   93 - HA    SER   82  17.12 +/- 2.89   1.340% *  0.5693% (0.32   0.02   0.02) =   0.021%
          HG3   LYS+ 106 - HA    GLU-  25  22.07 +/- 5.24   0.619% *  1.1394% (0.65   0.02   0.02) =   0.019%
          HB    VAL   42 - HA    GLU-  25  17.47 +/- 2.78   1.030% *  0.6008% (0.34   0.02   0.02) =   0.017%
          HG3   LYS+  65 - HA    GLU-  25  20.63 +/- 3.84   1.027% *  0.6008% (0.34   0.02   0.02) =   0.017%
          HG3   LYS+ 102 - HA    GLU-  25  22.65 +/- 6.52   0.703% *  0.7897% (0.45   0.02   0.02) =   0.015%
          HB3   ASP-  44 - HA    SER   82  16.84 +/- 3.18   1.329% *  0.4143% (0.24   0.02   0.02) =   0.015%
          HG    LEU   98 - HA    SER   82  20.18 +/- 6.02   0.949% *  0.5397% (0.31   0.02   0.02) =   0.014%
          HG3   LYS+ 106 - HA    SER   82  20.55 +/- 5.37   1.234% *  0.3691% (0.21   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - HA    GLU-  25  27.87 +/- 5.22   0.329% *  0.9267% (0.53   0.02   0.02) =   0.008%
          HB2   LEU   31 - HA    SER   82  22.77 +/- 6.96   1.179% *  0.1946% (0.11   0.02   0.02) =   0.006%
          HB3   LEU   73 - HA    SER   82  18.92 +/- 3.77   0.930% *  0.2346% (0.13   0.02   0.02) =   0.006%
          HB2   LEU   63 - HA    SER   82  22.66 +/- 3.23   0.479% *  0.3461% (0.20   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HA    GLU-  25  28.67 +/- 4.99   0.251% *  0.4897% (0.28   0.02   0.02) =   0.003%
          HB    VAL   42 - HA    SER   82  20.99 +/- 3.57   0.609% *  0.1946% (0.11   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HA    SER   82  25.11 +/- 6.68   0.427% *  0.2558% (0.15   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    SER   82  24.65 +/- 3.04   0.330% *  0.3002% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HA    SER   82  22.82 +/- 4.15   0.476% *  0.1946% (0.11   0.02   0.02) =   0.003%
          QB    ALA  124 - HA    SER   82  29.34 +/- 2.92   0.186% *  0.4949% (0.28   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  24.04 +/- 4.61   0.508% *  0.1586% (0.09   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  26.51 +/- 6.24   0.421% *  0.1586% (0.09   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.65 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.589, support = 0.02, residual support = 0.02:
          HB2   LEU  104 - HA    GLU-  25  21.59 +/- 6.45  13.089% * 19.8967% (0.80   0.02   0.02) =  25.482%  kept
          QG2   VAL  108 - HA    GLU-  25  20.60 +/- 4.05   9.740% * 22.9376% (0.92   0.02   0.02) =  21.861%  kept
          QG2   VAL  108 - HA    SER   82  15.93 +/- 4.25  22.624% *  7.4304% (0.30   0.02   0.02) =  16.448%  kept
          QD1   ILE  119 - HA    GLU-  25  20.36 +/- 4.89  10.851% * 12.0948% (0.49   0.02   0.02) =  12.841%  kept
          HG3   LYS+ 112 - HA    GLU-  25  27.55 +/- 5.32   4.060% * 15.0711% (0.61   0.02   0.02) =   5.987%  kept
          HG    LEU   63 - HA    GLU-  25  20.53 +/- 4.25  10.486% *  5.5320% (0.22   0.02   0.02) =   5.676%  kept
          HB2   LEU  104 - HA    SER   82  24.21 +/- 4.94   6.953% *  6.4453% (0.26   0.02   0.02) =   4.385%  kept
          QD1   ILE  119 - HA    SER   82  22.13 +/- 2.07   7.844% *  3.9180% (0.16   0.02   0.02) =   3.007%  kept
          HG3   LYS+ 112 - HA    SER   82  24.41 +/- 3.23   5.947% *  4.8821% (0.20   0.02   0.02) =   2.841%  kept
          HG    LEU   63 - HA    SER   82  23.44 +/- 3.64   8.406% *  1.7920% (0.07   0.02   0.02) =   1.474%  kept
    Distance limit 4.05 A violated in 20 structures by 8.15 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.284, support = 3.23, residual support = 23.2:
          HB2   GLU-  25 - HA    THR   26   4.15 +/- 0.26  30.918% * 79.0196% (0.31   4.07  32.09) =  71.813%  kept
          HB2   GLU-  29 - HA    THR   26   3.11 +/- 0.69  62.978% * 15.1534% (0.22   1.08   0.72) =  28.051%  kept
          QG    GLN   17 - HA    THR   26  13.89 +/- 3.41   3.106% *  0.5171% (0.41   0.02   0.02) =   0.047%
          HG2   GLU- 100 - HA    THR   26  19.40 +/- 6.84   0.933% *  1.1897% (0.95   0.02   0.02) =   0.033%
          HB3   ASP-  76 - HA    THR   26  17.68 +/- 5.28   0.748% *  1.1279% (0.90   0.02   0.02) =   0.025%
          HB2   MET   96 - HA    THR   26  18.58 +/- 3.89   0.395% *  1.1279% (0.90   0.02   0.02) =   0.013%
          HB2   ASP- 105 - HA    THR   26  23.35 +/- 5.16   0.334% *  0.8639% (0.69   0.02   0.02) =   0.008%
          HB    VAL   70 - HA    THR   26  17.38 +/- 1.78   0.447% *  0.6122% (0.49   0.02   0.02) =   0.008%
          HG3   MET   92 - HA    THR   26  25.86 +/- 3.76   0.140% *  0.3882% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.93, residual support = 34.7:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.04  99.184% * 99.6670% (0.34  10.0   4.93  34.75) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.87 +/- 1.61   0.658% *  0.2233% (0.76   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    THR   26  28.11 +/- 4.41   0.158% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.549, support = 1.24, residual support = 3.52:
          HN    GLN   30 - HA    THR   26   4.73 +/- 0.52  25.843% * 81.4029% (0.69   1.46   4.73) =  69.918%  kept
          HN    GLU-  29 - HA    THR   26   3.33 +/- 0.14  67.721% * 13.2237% (0.22   0.73   0.72) =  29.764%  kept
          HN    GLU-  14 - HA    THR   26  16.85 +/- 3.82   3.857% *  1.5870% (0.98   0.02   0.02) =   0.203%  kept
          HE1   HIS  122 - HA    THR   26  21.46 +/- 6.00   1.348% *  1.4520% (0.90   0.02   0.02) =   0.065%
          HN    LYS+  99 - HA    THR   26  19.34 +/- 5.47   0.750% *  1.3523% (0.84   0.02   0.02) =   0.034%
          HN    ASP-  86 - HA    THR   26  25.25 +/- 7.77   0.482% *  0.9820% (0.61   0.02   0.02) =   0.016%
    Distance limit 3.89 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 = 0.453, support = 1.93, residual support = 11.4:
          HN    THR   23 - HB    THR   26   3.84 +/- 0.30  71.163% * 68.1102% (0.38   2.17  13.07) =  87.349%  kept
          HD2   HIS   22 - HB    THR   26   5.95 +/- 1.17  25.655% * 27.2249% (0.99   0.33   0.02) =  12.587%  kept
          HN    LEU   67 - HB    THR   26  17.84 +/- 1.94   0.995% *  1.2808% (0.76   0.02   0.02) =   0.023%
          HD21  ASN   35 - HB    THR   26  15.97 +/- 1.40   1.049% *  1.1512% (0.69   0.02   0.02) =   0.022%
          HD1   TRP   49 - HB    THR   26  25.42 +/- 4.94   0.411% *  1.6611% (0.99   0.02   0.02) =   0.012%
          QE    PHE   95 - HB    THR   26  18.50 +/- 2.33   0.727% *  0.5717% (0.34   0.02   0.02) =   0.007%
    Distance limit 3.78 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   3.02 +/- 0.21  95.544% * 98.0853% (0.84   4.46  22.66) =  99.986%  kept
          HN    THR   39 - HB    THR   26  16.39 +/- 2.33   0.805% *  0.4727% (0.90   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB    THR   26  23.56 +/- 7.41   0.599% *  0.4572% (0.87   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB    THR   26  15.03 +/- 0.85   0.829% *  0.2566% (0.49   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB    THR   26  20.94 +/- 6.33   0.977% *  0.1627% (0.31   0.02   0.02) =   0.002%
          HN    ALA   61 - HB    THR   26  18.98 +/- 3.01   0.590% *  0.2167% (0.41   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  24.02 +/- 4.42   0.311% *  0.2566% (0.49   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    THR   26  26.43 +/- 7.45   0.343% *  0.0923% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.89 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   2.19 +/- 0.18  99.660% * 99.9615% (0.80  10.0   4.16  34.75) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.63 +/- 1.72   0.340% *  0.0385% (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 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.589, support = 0.55, residual support = 1.06:
          HA    ALA   20 - QG2   THR   26   5.83 +/- 1.19  32.785% * 71.6299% (0.87   0.42   0.14) =  59.849%  kept
          HA    CYS   21 - QG2   THR   26   3.73 +/- 1.56  60.398% * 25.9856% (0.18   0.75   2.44) =  39.999%  kept
          HA    LEU   71 - QG2   THR   26  11.21 +/- 2.19   5.271% *  0.6105% (0.15   0.02   0.02) =   0.082%
          HA    LYS+ 102 - QG2   THR   26  17.68 +/- 4.76   1.547% *  1.7739% (0.45   0.02   0.02) =   0.070%
    Distance limit 3.54 A violated in 1 structures by 0.30 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.814, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  12.13 +/- 2.82  30.949% * 18.7520% (0.92   0.02   0.02) =  42.770%  kept
          HG2   MET   11 - QG2   THR   26  17.47 +/- 4.23  12.658% * 19.2160% (0.95   0.02   0.02) =  17.925%  kept
          HG2   PRO   58 - QG2   THR   26  19.84 +/- 3.77   9.753% * 17.6208% (0.87   0.02   0.02) =  12.665%  kept
          HB2   PRO   93 - QG2   THR   26  17.68 +/- 3.09  13.843% * 12.3210% (0.61   0.02   0.02) =  12.570%  kept
          HG3   PRO   52 - QG2   THR   26  24.78 +/- 2.51   3.743% * 17.6208% (0.87   0.02   0.02) =   4.861%  kept
          HB2   PRO   68 - QG2   THR   26  16.90 +/- 2.61  15.527% *  3.1343% (0.15   0.02   0.02) =   3.587%  kept
          HB2   ARG+  54 - QG2   THR   26  22.01 +/- 3.38   6.450% *  6.2698% (0.31   0.02   0.02) =   2.980%  kept
          HB    VAL  108 - QG2   THR   26  21.30 +/- 2.22   7.077% *  5.0653% (0.25   0.02   0.02) =   2.642%  kept
    Distance limit 3.53 A violated in 20 structures by 6.81 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.747, residual support = 4.71:
        T HG2   GLN   30 - QG2   THR   26   3.42 +/- 0.64  81.484% * 96.7934% (0.99 10.00   0.75   4.73) =  99.488%  kept
          HB3   ASN   28 - QG2   THR   26   7.04 +/- 0.40  13.407% *  2.9763% (0.97  1.00   0.24   0.42) =   0.503%  kept
          QE    LYS+ 121 - QG2   THR   26  17.89 +/- 4.67   3.739% *  0.1580% (0.61  1.00   0.02   0.02) =   0.007%
          HB3   HIS  122 - QG2   THR   26  17.75 +/- 3.82   1.369% *  0.0724% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.936, support = 3.61, residual support = 20.2:
          QD1   LEU   73 - HB3   TRP   27   3.59 +/- 3.25  42.091% * 55.5398% (1.00   4.06  26.40) =  74.260%  kept
          QD2   LEU   80 - HB3   TRP   27  12.24 +/- 6.76  20.127% * 29.7556% (0.80   2.71   3.03) =  19.024%  kept
          QD1   LEU  104 - HB3   TRP   27  14.39 +/- 5.75  16.201% * 10.7770% (0.57   1.39   0.79) =   5.546%  kept
          QD1   LEU   63 - HB3   TRP   27  11.87 +/- 3.30  11.153% *  2.6715% (1.00   0.20   0.02) =   0.946%  kept
          QG1   VAL   83 - HB3   TRP   27  13.94 +/- 6.65   7.512% *  0.8723% (0.18   0.36   0.02) =   0.208%  kept
          QD2   LEU   63 - HB3   TRP   27  12.29 +/- 3.12   2.742% *  0.1550% (0.57   0.02   0.02) =   0.014%
          QD2   LEU  115 - HB3   TRP   27  16.50 +/- 3.32   0.174% *  0.2287% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 23.2:
        T HA    VAL   24 - HB3   TRP   27   3.68 +/- 0.32  89.838% * 98.5200% (0.76 10.00   3.00  23.23) =  99.965%  kept
        T HA    LYS+  38 - HB3   TRP   27  14.35 +/- 1.32   1.847% *  1.2636% (0.98 10.00   0.02   0.02) =   0.026%
        T HA    GLU- 100 - HB3   TRP   27  16.04 +/- 5.35   3.523% *  0.1989% (0.15 10.00   0.02   0.02) =   0.008%
          HA    VAL   83 - HB3   TRP   27  18.51 +/- 7.88   4.791% *  0.0174% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 23.2:
          HA    VAL   24 - HB2   TRP   27   2.18 +/- 0.25  98.966% * 99.1878% (0.97   3.00  23.23) =  99.997%  kept
          HA    LYS+  38 - HB2   TRP   27  15.63 +/- 1.30   0.329% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HA    ALA   61 - HB2   TRP   27  14.91 +/- 2.63   0.484% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  18.49 +/- 2.33   0.220% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.913, support = 3.43, residual support = 17.8:
          QD1   LEU   73 - HB2   TRP   27   4.41 +/- 3.23  37.524% * 48.6891% (0.90   4.10  26.40) =  64.012%  kept
          QD2   LEU   80 - HB2   TRP   27  12.27 +/- 7.12  23.260% * 33.8772% (0.98   2.61   3.03) =  27.608%  kept
          QD1   LEU  104 - HB2   TRP   27  15.25 +/- 6.08  15.627% * 12.9640% (0.84   1.17   0.79) =   7.098%  kept
          QD1   LEU   63 - HB2   TRP   27  12.96 +/- 3.44   9.152% *  2.3162% (0.90   0.20   0.02) =   0.743%  kept
          QG1   VAL   83 - HB2   TRP   27  14.11 +/- 6.75   8.191% *  1.8095% (0.38   0.36   0.02) =   0.519%  kept
          QD2   LEU   63 - HB2   TRP   27  13.42 +/- 3.33   5.951% *  0.0817% (0.31   0.02   0.02) =   0.017%
          QD2   LEU  115 - HB2   TRP   27  17.32 +/- 3.62   0.294% *  0.2624% (0.99   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.2, residual support = 19.8:
          QD1   LEU   31 - HA    ASN   28   2.87 +/- 0.86 100.000% *100.0000% (0.76   3.20  19.77) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.11, residual support = 91.4:
      O T HA    GLU-  29 - HG3   GLU-  29   3.49 +/- 0.19  84.566% * 97.0747% (0.22  10.0 10.00   5.12  91.53) =  99.871%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.42 +/- 1.26   5.745% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.104%  kept
          HB2   SER   37 - HG3   GLU-  29  13.66 +/- 2.00   1.943% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.010%
          HA1   GLY   16 - HG3   GLU-  29  17.80 +/- 3.53   1.675% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HA    VAL   18 - HG3   GLU-  29  14.27 +/- 3.13   3.861% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   70 - HG3   GLU-  29  18.21 +/- 2.09   0.715% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HG3   GLU-  29  27.11 +/- 5.37   0.406% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   GLU-  29  24.54 +/- 8.69   1.090% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 107.1:
      O   HD1   TRP   27 - HB2   TRP   27   2.71 +/- 0.08  87.389% * 99.7286% (0.98  10.0   3.65 107.07) =  99.986%  kept
          HE21  GLN   30 - HB2   TRP   27   6.61 +/- 1.62  11.664% *  0.0939% (0.92   1.0   0.02   0.02) =   0.013%
          QD    PHE   59 - HB2   TRP   27  16.62 +/- 3.42   0.743% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  22.75 +/- 4.05   0.205% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.38, residual support = 107.1:
      O   HN    TRP   27 - HB2   TRP   27   2.05 +/- 0.06  97.533% * 99.5184% (0.76  10.0   5.38 107.07) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  20.01 +/- 7.45   0.689% *  0.1202% (0.92   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   TRP   27  14.88 +/- 1.72   0.297% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.07 +/- 0.59   0.306% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  18.07 +/- 5.71   0.401% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  16.33 +/- 2.78   0.323% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  20.59 +/- 4.27   0.208% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  23.00 +/- 7.51   0.243% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.909, support = 5.52, residual support = 50.0:
          HN    ASN   28 - HB2   TRP   27   3.24 +/- 0.22  75.154% * 93.6064% (0.92   5.59  50.98) =  98.108%  kept
          HN    GLU-  25 - HB2   TRP   27   4.90 +/- 0.33  22.415% *  6.0395% (0.15   2.16   0.59) =   1.888%  kept
          HN    ASN   69 - HB2   TRP   27  18.07 +/- 2.32   0.592% *  0.2906% (0.80   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   TRP   27  12.11 +/- 2.45   1.838% *  0.0636% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.61 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 = 104.8:
      O   HE3   TRP   27 - HB3   TRP   27   2.58 +/- 0.15  82.818% * 86.5086% (0.76  10.0   4.50 107.07) =  97.868%  kept
          HN    THR   23 - HB3   TRP   27   5.31 +/- 0.82  11.856% * 13.1431% (0.98   1.0   2.37   1.24) =   2.129%  kept
          HD2   HIS   22 - HB3   TRP   27   8.18 +/- 1.30   3.750% *  0.0252% (0.22   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   TRP   27  14.61 +/- 2.36   0.637% *  0.1122% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  14.78 +/- 2.00   0.575% *  0.0778% (0.69   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB3   TRP   27  21.95 +/- 2.33   0.165% *  0.0946% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  22.13 +/- 4.20   0.199% *  0.0386% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 107.0:
      O   HD1   TRP   27 - HB3   TRP   27   3.81 +/- 0.08  60.726% * 99.7286% (0.98  10.0   4.08 107.07) =  99.939%  kept
          HE21  GLN   30 - HB3   TRP   27   5.33 +/- 1.77  37.247% *  0.0939% (0.92   1.0   0.02   0.02) =   0.058%
          QD    PHE   59 - HB3   TRP   27  15.65 +/- 3.01   1.576% *  0.0997% (0.98   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HB3   TRP   27  22.15 +/- 4.03   0.451% *  0.0778% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 4.05 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 = 107.1:
      O   HN    TRP   27 - HB3   TRP   27   3.21 +/- 0.17  90.791% * 99.5184% (0.76  10.0   5.64 107.07) =  99.992%  kept
          HD1   TRP   87 - HB3   TRP   27  19.77 +/- 7.35   1.646% *  0.1202% (0.92   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB3   TRP   27  13.53 +/- 1.82   1.543% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   TRP   27  13.10 +/- 0.83   1.443% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   TRP   27  17.18 +/- 5.48   1.769% *  0.0489% (0.38   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   TRP   27  15.28 +/- 2.52   1.479% *  0.0444% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB3   TRP   27  20.23 +/- 4.31   0.603% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  22.74 +/- 7.45   0.725% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 51.0:
          HN    ASN   28 - HB3   TRP   27   4.18 +/- 0.07  97.810% * 99.4973% (0.65   6.07  50.98) =  99.989%  kept
          HN    ASN   69 - HB3   TRP   27  16.57 +/- 2.26   2.190% *  0.5027% (0.99   0.02   0.02) =   0.011%
    Distance limit 3.85 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.222, support = 4.26, residual support = 19.8:
          HN    LEU   31 - HA    ASN   28   3.45 +/- 0.15  94.124% * 95.8781% (0.22   4.26  19.77) =  99.937%  kept
          HN    LYS+  38 - HA    ASN   28  13.01 +/- 0.62   1.825% *  1.9806% (0.98   0.02   0.02) =   0.040%
          HN    ASP-  62 - HA    ASN   28  18.88 +/- 4.11   1.483% *  0.5618% (0.28   0.02   0.02) =   0.009%
          HN    SER   37 - HA    ASN   28  12.26 +/- 0.61   2.146% *  0.3539% (0.18   0.02   0.02) =   0.008%
          HN    ARG+  54 - HA    ASN   28  24.68 +/- 3.46   0.422% *  1.2256% (0.61   0.02   0.02) =   0.006%
    Distance limit 4.14 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 = 0.236, support = 6.19, residual support = 14.9:
          HN    GLN   30 - HA    ASN   28   3.92 +/- 0.20  65.061% * 73.7516% (0.18   6.75  16.37) =  91.057%  kept
          HE1   HIS  122 - HA    ASN   28  19.18 +/- 7.04  19.200% * 23.9132% (0.87   0.44   0.02) =   8.713%  kept
          HN    GLU-  14 - HA    ASN   28  18.47 +/- 3.88   7.441% *  0.9059% (0.73   0.02   0.02) =   0.128%  kept
          HN    LYS+  99 - HA    ASN   28  15.30 +/- 4.99   3.562% *  1.1516% (0.92   0.02   0.02) =   0.078%
          HN    ASN   35 - HA    ASN   28   9.46 +/- 0.70   4.737% *  0.2777% (0.22   0.02   0.02) =   0.025%
    Distance limit 4.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.92, residual support = 105.6:
      O   HN    ASN   28 - HB2   ASN   28   2.52 +/- 0.35  97.335% * 99.7686% (0.65  10.0   6.92 105.59) =  99.999%  kept
          HN    ASN   69 - HB2   ASN   35  15.96 +/- 4.60   1.508% *  0.0476% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   ASN   28  20.88 +/- 2.58   0.273% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.44 +/- 1.23   0.884% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 105.6:
      O   HD22  ASN   28 - HB3   ASN   28   3.33 +/- 0.09  98.747% * 99.9746% (0.98  10.0   4.12 105.59) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.78 +/- 1.23   1.253% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 3.54, residual support = 105.6:
      O   HD21  ASN   28 - HB3   ASN   28   4.03 +/- 0.05  90.314% * 99.7595% (0.87  10.0   3.54 105.59) =  99.991%  kept
          HZ2   TRP   87 - HB3   ASN   28  23.11 +/- 9.49   4.949% *  0.1127% (0.98   1.0   0.02   0.02) =   0.006%
          QE    PHE   60 - HB3   ASN   28  16.85 +/- 2.75   1.825% *  0.0790% (0.69   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB3   ASN   28  19.96 +/- 4.29   2.403% *  0.0287% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - HB3   ASN   28  25.63 +/- 3.62   0.509% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.45 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 5.23, residual support = 25.8:
          HN    GLU-  29 - HB3   ASN   28   3.45 +/- 0.26  55.382% * 34.5339% (0.45   5.77  32.02) =  63.855%  kept
          HN    GLN   30 - HB3   ASN   28   5.13 +/- 0.20  17.050% * 57.1684% (0.92   4.64  16.37) =  32.544%  kept
          HE1   HIS  122 - HB3   ASN   28  21.22 +/- 7.51  13.625% *  7.7012% (0.65   0.89   0.02) =   3.503%  kept
          HN    GLU-  14 - HB3   ASN   28  19.42 +/- 4.71  11.407% *  0.2138% (0.80   0.02   0.02) =   0.081%
          HN    ASP-  86 - HB3   ASN   28  23.44 +/- 8.08   1.135% *  0.2316% (0.87   0.02   0.02) =   0.009%
          HN    LYS+  99 - HB3   ASN   28  16.95 +/- 5.34   1.400% *  0.1511% (0.57   0.02   0.02) =   0.007%
    Distance limit 3.93 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 = 6.55, residual support = 105.6:
      O   HN    ASN   28 - HB3   ASN   28   3.42 +/- 0.37  87.257% * 99.8777% (0.92  10.0   6.55 105.59) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   6.85 +/- 0.60  11.120% *  0.0167% (0.15   1.0   0.02   3.89) =   0.002%
          HN    ASN   69 - HB3   ASN   28  20.95 +/- 2.76   0.522% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  16.09 +/- 2.45   1.102% *  0.0189% (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 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.424, support = 4.08, residual support = 15.0:
          HN    GLN   30 - HB2   ASN   28   4.76 +/- 0.30  51.809% * 75.3123% (0.38   4.42  16.37) =  91.640%  kept
          HE1   HIS  122 - HB2   ASN   28  21.28 +/- 7.34  16.366% * 20.3512% (1.00   0.45   0.02) =   7.823%  kept
          HN    GLU-  14 - HB2   ASN   28  18.89 +/- 4.52  12.040% *  0.8599% (0.95   0.02   0.02) =   0.243%  kept
          HN    GLN   30 - HB2   ASN   35  10.47 +/- 0.98   5.137% *  1.3700% (0.12   0.26   0.02) =   0.165%  kept
          HN    LYS+  99 - HB2   ASN   28  17.70 +/- 5.28   2.391% *  0.9070% (1.00   0.02   0.02) =   0.051%
          HN    LYS+  99 - HB2   ASN   35  14.10 +/- 4.70   6.307% *  0.2821% (0.31   0.02   0.02) =   0.042%
          HN    ASP-  86 - HB2   ASN   28  23.47 +/- 8.02   2.053% *  0.2806% (0.31   0.02   0.02) =   0.014%
          HN    GLU-  14 - HB2   ASN   35  16.94 +/- 3.51   2.029% *  0.2675% (0.29   0.02   0.02) =   0.013%
          HE1   HIS  122 - HB2   ASN   35  19.13 +/- 5.28   1.330% *  0.2821% (0.31   0.02   0.02) =   0.009%
          HN    ASP-  86 - HB2   ASN   35  28.13 +/- 6.48   0.536% *  0.0873% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 5 structures by 1.23 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.89, residual support = 105.6:
      O   HD21  ASN   28 - HB2   ASN   28   3.96 +/- 0.05  89.955% * 99.5979% (0.61  10.0   3.89 105.59) =  99.990%  kept
          HZ2   TRP   87 - HB2   ASN   28  23.28 +/- 9.32   3.395% *  0.1315% (0.80   1.0   0.02   0.02) =   0.005%
          QE    PHE   60 - HB2   ASN   28  16.73 +/- 2.73   1.741% *  0.1516% (0.92   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HB2   ASN   35  14.43 +/- 1.65   2.189% *  0.0310% (0.19   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  18.01 +/- 3.34   1.357% *  0.0472% (0.29   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB2   ASN   35  26.71 +/- 8.70   1.364% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 6.34, residual support = 26.4:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.03  58.378% * 94.7654% (0.49  10.0   6.38  26.50) =  99.434%  kept
          HE1   HIS  122 - HA    GLU-  29  20.88 +/- 6.56   6.113% *  2.8843% (0.99   1.0   0.30   0.02) =   0.317%  kept
          HN    GLN   30 - HA    LYS+  33   7.31 +/- 0.47   6.619% *  0.9747% (0.13   1.0   0.75   0.53) =   0.116%  kept
          HN    GLN   30 - HA    GLN   32   6.86 +/- 0.22   7.760% *  0.5890% (0.11   1.0   0.55   1.67) =   0.082%
          HN    GLU-  14 - HA    GLU-  29  16.71 +/- 4.32  11.745% *  0.1930% (0.99   1.0   0.02   0.02) =   0.041%
          HN    LYS+  99 - HA    GLU-  29  17.14 +/- 4.85   0.883% *  0.1879% (0.96   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    LYS+  33  14.45 +/- 3.27   1.521% *  0.0529% (0.27   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLN   32  14.54 +/- 4.91   1.857% *  0.0421% (0.22   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  19.56 +/- 5.91   1.512% *  0.0432% (0.22   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  15.66 +/- 4.18   0.980% *  0.0515% (0.26   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  19.35 +/- 5.41   0.842% *  0.0529% (0.27   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    GLN   32  17.24 +/- 3.33   0.844% *  0.0432% (0.22   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  26.10 +/- 7.53   0.435% *  0.0800% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  26.53 +/- 6.78   0.312% *  0.0179% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  28.54 +/- 6.25   0.197% *  0.0220% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 5.64, residual support = 76.4:
      O   HN    GLU-  29 - HB2   GLU-  29   2.44 +/- 0.44  68.294% * 58.2168% (0.41  10.0   5.38  91.53) =  76.729%  kept
          HN    GLN   30 - HB2   GLU-  29   3.33 +/- 0.29  29.145% * 41.3635% (0.90   1.0   6.51  26.50) =  23.266%  kept
          HN    GLU-  14 - HB2   GLU-  29  15.92 +/- 3.77   1.397% *  0.1183% (0.84   1.0   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   GLU-  29  20.94 +/- 6.17   0.682% *  0.0973% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  29  18.11 +/- 4.96   0.286% *  0.0859% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  26.21 +/- 7.42   0.195% *  0.1183% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.542, support = 4.96, residual support = 74.0:
      O   HN    GLU-  29 - HB3   GLU-  29   3.32 +/- 0.43  51.792% * 63.6254% (0.41  10.0   4.89  91.53) =  73.079%  kept
          HN    GLN   30 - HB3   GLU-  29   3.87 +/- 0.24  33.962% * 35.7111% (0.90   1.0   5.15  26.50) =  26.897%  kept
          HN    GLU-  14 - HB3   GLU-  29  15.63 +/- 3.93   4.600% *  0.1293% (0.84   1.0   0.02   0.02) =   0.013%
          HE1   HIS  122 - HB3   GLU-  29  21.38 +/- 6.16   1.559% *  0.1063% (0.69   1.0   0.02   0.02) =   0.004%
          HN    GLN   30 - QB    GLU-  36   9.74 +/- 0.73   2.359% *  0.0430% (0.28   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - QB    GLU-  36  13.29 +/- 3.37   1.495% *  0.0400% (0.26   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  29  18.32 +/- 4.82   0.538% *  0.0939% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLU-  29  27.09 +/- 7.51   0.264% *  0.1293% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  11.16 +/- 0.85   1.561% *  0.0197% (0.13   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  14.74 +/- 3.87   0.992% *  0.0291% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  17.83 +/- 4.82   0.724% *  0.0329% (0.21   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - QB    GLU-  36  27.38 +/- 5.31   0.153% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.935, support = 4.39, residual support = 91.2:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.76 +/- 0.26  38.956% * 95.1378% (0.99  10.0 10.00   4.39  91.53) =  94.052%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.38 +/- 0.16  58.142% *  4.0244% (0.04  10.0 10.00   4.29  86.28) =   5.938%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.72 +/- 1.49   0.775% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   GLU-  36 - HB3   GLU-  29  10.80 +/- 2.07   0.773% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HB3   GLU-  29  26.57 +/- 8.13   0.142% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  22.56 +/- 4.38   0.114% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  20.62 +/- 3.91   0.234% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  22.28 +/- 3.00   0.081% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  25.93 +/- 4.82   0.070% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  19.86 +/- 3.81   0.129% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  26.64 +/- 6.09   0.075% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  23.83 +/- 4.62   0.111% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  18.15 +/- 2.39   0.157% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.58 +/- 2.73   0.068% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  22.32 +/- 1.81   0.076% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  21.29 +/- 2.02   0.095% *  0.0059% (0.06   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 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.525, residual support = 0.525:
          QD    LYS+  33 - HA    GLN   30   3.62 +/- 0.70  94.767% * 88.9989% (0.95   0.53   0.53) =  99.873%  kept
          HB3   LEU  123 - HA    GLN   30  23.30 +/- 5.56   1.022% *  3.3838% (0.95   0.02   0.02) =   0.041%
          HD2   LYS+  74 - HA    GLN   30  14.75 +/- 2.36   2.399% *  1.3425% (0.38   0.02   0.02) =   0.038%
          QB    ALA   57 - HA    GLN   30  18.84 +/- 2.83   1.145% *  2.4571% (0.69   0.02   0.02) =   0.033%
          HD3   LYS+ 111 - HA    GLN   30  28.79 +/- 4.23   0.296% *  2.5975% (0.73   0.02   0.02) =   0.009%
          HG3   ARG+  54 - HA    GLN   30  26.91 +/- 3.32   0.371% *  1.2202% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.87 A violated in 0 structures by 0.14 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 = 0.526, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HA    GLN   30  18.86 +/- 4.64  14.601% * 48.0646% (0.90   0.02   0.02) =  43.216%  kept
          QD1   LEU   71 - HA    GLN   30   9.47 +/- 2.04  54.705% *  8.2693% (0.15   0.02   0.02) =  27.857%  kept
          HB3   LEU  104 - HA    GLN   30  18.59 +/- 4.55  12.756% * 22.0331% (0.41   0.02   0.02) =  17.307%  kept
          HG3   LYS+ 121 - HA    GLN   30  21.19 +/- 5.27   7.924% * 13.3638% (0.25   0.02   0.02) =   6.521%  kept
          QD1   LEU  123 - HA    GLN   30  18.18 +/- 4.08  10.015% *  8.2693% (0.15   0.02   0.02) =   5.100%  kept
    Distance limit 4.08 A violated in 20 structures by 4.76 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 = 156.9:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.01  82.031% * 88.2228% (0.98  10.0   6.41 159.91) =  97.728%  kept
          HN    GLU-  29 - HA    GLN   30   5.04 +/- 0.11  14.559% * 11.5425% (0.57   1.0   4.53  26.50) =   2.269%  kept
          HN    GLU-  14 - HA    GLN   30  13.92 +/- 2.83   1.321% *  0.0618% (0.69   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   30  18.07 +/- 5.14   0.996% *  0.0474% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLN   30  15.46 +/- 4.49   0.820% *  0.0404% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  25.48 +/- 6.92   0.274% *  0.0851% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.971, support = 6.35, residual support = 157.1:
      O   HN    GLN   30 - HB2   GLN   30   3.30 +/- 0.41  78.914% * 89.5569% (0.98  10.0   6.40 159.91) =  97.897%  kept
          HN    GLU-  29 - HB2   GLN   30   5.78 +/- 0.44  14.846% * 10.2049% (0.57   1.0   3.95  26.50) =   2.099%  kept
          HN    GLU-  14 - HB2   GLN   30  14.35 +/- 2.87   1.676% *  0.0628% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLN   30  14.33 +/- 4.45   2.342% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLN   30  16.78 +/- 4.87   1.705% *  0.0481% (0.53   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   GLN   30  23.46 +/- 7.04   0.517% *  0.0864% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.68 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 = 6.94, residual support = 158.7:
      O   HN    GLN   30 - HB3   GLN   30   2.39 +/- 0.43  85.330% * 93.1183% (0.65  10.0   6.96 159.91) =  99.099%  kept
          HN    GLU-  29 - HB3   GLN   30   4.73 +/- 0.54  11.214% *  6.3998% (0.20   1.0   4.49  26.50) =   0.895%  kept
          HN    GLU-  14 - HB3   GLN   30  15.07 +/- 2.66   1.031% *  0.1427% (0.99   1.0   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB3   GLN   30  17.16 +/- 5.21   1.014% *  0.1329% (0.92   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLN   30  14.61 +/- 4.49   0.939% *  0.1249% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLN   30  22.94 +/- 6.92   0.472% *  0.0815% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.625, support = 7.27, residual support = 153.4:
          HN    GLN   30 - HG2   GLN   30   3.22 +/- 0.49  74.740% * 82.4227% (0.65   7.40 159.91) =  95.138%  kept
          HN    GLU-  29 - HG2   GLN   30   5.08 +/- 0.62  19.054% * 16.4240% (0.20   4.82  26.50) =   4.833%  kept
          HN    LYS+  99 - HG2   GLN   30  16.24 +/- 5.05   2.683% *  0.2988% (0.87   0.02   0.02) =   0.012%
          HN    GLU-  14 - HG2   GLN   30  13.74 +/- 3.04   1.973% *  0.3414% (0.99   0.02   0.02) =   0.010%
          HE1   HIS  122 - HG2   GLN   30  17.77 +/- 5.07   1.045% *  0.3180% (0.92   0.02   0.02) =   0.005%
          HN    ASP-  86 - HG2   GLN   30  24.51 +/- 6.78   0.507% *  0.1950% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.1, residual support = 158.9:
      O   HE21  GLN   30 - HG2   GLN   30   3.93 +/- 0.20  85.742% * 95.7628% (0.87  10.0   4.12 159.91) =  99.391%  kept
          HD1   TRP   27 - HG2   GLN   30   7.67 +/- 0.71  12.379% *  4.0512% (1.00   1.0   0.74   0.02) =   0.607%  kept
          QD    PHE   59 - HG2   GLN   30  17.19 +/- 2.70   1.415% *  0.1102% (1.00   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HG2   GLN   30  24.94 +/- 4.23   0.463% *  0.0758% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.2, residual support = 159.6:
      O   HE21  GLN   30 - HG3   GLN   30   3.94 +/- 0.21  56.073% * 98.4334% (0.87  10.0   3.20 159.91) =  99.823%  kept
          HD1   TRP   27 - HG3   GLN   30   8.19 +/- 0.95   7.350% *  1.2630% (1.00   1.0   0.22   0.02) =   0.168%  kept
          QD    PHE   59 - HB2   LYS+ 111   9.13 +/- 1.32   5.707% *  0.0228% (0.20   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HG3   GLN   30  17.17 +/- 2.56   0.877% *  0.1132% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   PRO   93   8.19 +/- 1.85   9.257% *  0.0088% (0.08   1.0   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   PRO   93  17.62 +/- 3.95   7.858% *  0.0088% (0.08   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93  10.94 +/- 3.05   8.920% *  0.0061% (0.05   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   LYS+ 111  15.67 +/- 4.51   1.961% *  0.0157% (0.14   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG3   GLN   30  25.28 +/- 4.37   0.300% *  0.0779% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.41 +/- 5.28   0.465% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  18.51 +/- 3.48   0.967% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.92 +/- 3.42   0.264% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.626, support = 6.46, residual support = 153.7:
          HN    GLN   30 - HG3   GLN   30   3.50 +/- 0.76  65.902% * 82.4817% (0.65   6.58 159.91) =  95.329%  kept
          HN    GLU-  29 - HG3   GLN   30   5.53 +/- 1.01  16.740% * 15.7667% (0.20   4.11  26.50) =   4.629%  kept
          HN    LYS+  99 - HG3   GLN   30  15.75 +/- 4.90   2.580% *  0.3363% (0.87   0.02   0.02) =   0.015%
          HN    GLU-  14 - HG3   GLN   30  13.46 +/- 2.71   1.731% *  0.3843% (0.99   0.02   0.02) =   0.012%
          HE1   HIS  122 - HG3   GLN   30  17.63 +/- 4.66   1.185% *  0.3579% (0.92   0.02   0.02) =   0.007%
          HN    ASP-  86 - HG3   GLN   30  24.78 +/- 6.79   0.743% *  0.2195% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  17.61 +/- 2.67   0.748% *  0.0719% (0.19   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   PRO   93  15.02 +/- 3.15   3.123% *  0.0171% (0.04   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  20.08 +/- 3.07   0.787% *  0.0676% (0.17   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   PRO   93  20.36 +/- 3.47   1.828% *  0.0195% (0.05   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  15.60 +/- 3.00   1.200% *  0.0279% (0.07   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB2   LYS+ 111  21.87 +/- 3.78   0.488% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.05 +/- 1.34   0.595% *  0.0262% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  26.46 +/- 4.02   0.282% *  0.0504% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  32.09 +/- 3.55   0.130% *  0.0772% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.51 +/- 3.48   1.421% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.76 +/- 4.74   0.260% *  0.0299% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  27.71 +/- 4.43   0.258% *  0.0154% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 5.35, residual support = 45.3:
          HG    LEU   31 - HB3   GLN   30   4.30 +/- 0.39  49.124% * 71.3993% (0.15  1.00   6.14  52.41) =  85.621%  kept
          QD2   LEU   73 - HB3   GLN   30   5.80 +/- 2.61  36.038% * 14.0988% (0.25  1.00   0.75   3.11) =  12.403%  kept
          QD2   LEU  123 - HB3   GLN   30  18.21 +/- 4.51  12.904% *  5.6848% (0.61  1.00   0.12   0.02) =   1.791%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.41 +/- 2.03   0.804% *  7.3392% (0.49 10.00   0.02   0.02) =   0.144%  kept
          HG3   LYS+ 121 - HB3   GLN   30  20.51 +/- 5.42   1.131% *  1.4779% (0.98  1.00   0.02   0.02) =   0.041%
    Distance limit 3.74 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.36, residual support = 2.76:
          QD1   LEU   73 - HB3   GLN   30   5.06 +/- 3.03  47.651% * 70.4604% (0.87   2.56   3.11) =  88.596%  kept
          QD1   LEU   63 - HB3   GLN   30  12.13 +/- 3.27  15.989% * 23.3662% (0.87   0.85   0.02) =   9.858%  kept
          QD1   LEU  104 - HB3   GLN   30  13.77 +/- 4.50  11.717% *  2.5752% (0.87   0.09   0.02) =   0.796%  kept
          QD2   LEU   80 - HB3   GLN   30  14.40 +/- 5.62   9.745% *  2.5294% (0.99   0.08   0.02) =   0.650%  kept
          QG1   VAL   83 - HB3   GLN   30  15.96 +/- 6.00   7.077% *  0.2605% (0.41   0.02   0.02) =   0.049%
          QD2   LEU   63 - HB3   GLN   30  12.36 +/- 2.94   6.690% *  0.1762% (0.28   0.02   0.02) =   0.031%
          QD2   LEU  115 - HB3   GLN   30  17.37 +/- 2.98   1.131% *  0.6322% (1.00   0.02   0.02) =   0.019%
    Distance limit 3.82 A violated in 1 structures by 0.45 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.786, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  17.76 +/- 4.43  35.298% * 54.6388% (0.97   0.02   0.02) =  59.345%  kept
          HG3   LYS+ 121 - HB2   GLN   30  20.15 +/- 4.98  27.106% * 36.6255% (0.65   0.02   0.02) =  30.549%  kept
          QD1   ILE   56 - HB2   GLN   30  17.37 +/- 1.91  37.596% *  8.7356% (0.15   0.02   0.02) =  10.106%  kept
    Distance limit 3.58 A violated in 19 structures by 10.74 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.861, support = 1.18, residual support = 2.73:
          QD1   LEU   73 - HB2   GLN   30   5.59 +/- 3.17  47.023% * 65.9453% (0.87   1.30   3.11) =  87.746%  kept
          QD1   LEU   63 - HB2   GLN   30  11.87 +/- 2.94  15.366% * 18.5370% (0.87   0.37   0.02) =   8.060%  kept
          QD1   LEU  104 - HB2   GLN   30  13.53 +/- 4.09  11.036% *  4.7433% (0.87   0.09   0.02) =   1.481%  kept
          QD2   LEU   80 - HB2   GLN   30  14.84 +/- 5.60  10.918% *  4.6588% (0.99   0.08   0.02) =   1.439%  kept
          QD2   LEU   63 - HB2   GLN   30  11.99 +/- 2.68   9.128% *  4.4714% (0.28   0.28   0.02) =   1.155%  kept
          QG1   VAL   83 - HB2   GLN   30  16.41 +/- 6.06   4.970% *  0.4798% (0.41   0.02   0.02) =   0.067%
          QD2   LEU  115 - HB2   GLN   30  17.24 +/- 2.81   1.559% *  1.1644% (1.00   0.02   0.02) =   0.051%
    Distance limit 3.82 A violated in 4 structures by 0.90 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.99, residual support = 159.9:
      O T HA    GLN   30 - HG3   GLN   30   2.71 +/- 0.51  68.216% * 98.6729% (0.65  10.0 10.00   4.99 159.91) =  99.979%  kept
          HB    THR   39 - HG3   GLN   30  10.27 +/- 3.42   3.864% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.007%
          HB3   SER   37 - HG3   GLN   30   8.92 +/- 2.18   2.919% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   52 - HB2   PRO   93  11.65 +/- 3.63   2.391% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   13 - HG3   GLN   30  13.61 +/- 2.48   1.442% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG3   GLN   30  22.49 +/- 7.22   0.589% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   7.43 +/- 2.85  11.320% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  26.90 +/- 3.67   0.112% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.13 +/- 3.48   0.264% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  25.57 +/- 4.93   0.177% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.94 +/- 1.60   2.026% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  20.05 +/- 3.97   0.382% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  15.93 +/- 2.06   0.525% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  10.27 +/- 2.15   1.502% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  28.70 +/- 2.64   0.099% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  23.35 +/- 2.74   0.223% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.61 +/- 3.21   0.436% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  16.33 +/- 3.33   0.598% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  23.94 +/- 4.39   0.228% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.05 +/- 1.21   0.599% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  24.98 +/- 3.58   0.166% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  12.24 +/- 1.83   1.029% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.01 +/- 4.10   0.290% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.80 +/- 3.39   0.083% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.19 +/- 2.75   0.221% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  27.79 +/- 3.36   0.101% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  23.50 +/- 3.24   0.198% *  0.0072% (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 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.3, residual support = 24.7:
          HZ2   TRP   27 - QD1   LEU   31   2.77 +/- 0.55  97.778% * 99.8457% (0.87   2.30  24.70) =  99.996%  kept
          HZ    PHE   72 - QD1   LEU   31  11.64 +/- 1.84   2.222% *  0.1543% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.921, support = 0.975, residual support = 19.6:
          HD21  ASN   28 - QD1   LEU   31   4.14 +/- 0.80  56.849% * 93.9470% (0.92   0.99  19.77) =  98.945%  kept
          HZ2   TRP   87 - QD1   LEU   31  16.87 +/- 8.34  25.435% *  1.5792% (0.76   0.02   0.02) =   0.744%  kept
          HN    LEU   63 - QD1   LEU   31  13.65 +/- 3.68   6.840% *  1.5792% (0.76   0.02   0.27) =   0.200%  kept
          QE    PHE   60 - QD1   LEU   31  11.42 +/- 2.48   5.616% *  0.4089% (0.20   0.02   0.02) =   0.043%
          HN    ALA   84 - QD1   LEU   31  16.42 +/- 5.42   3.595% *  0.5745% (0.28   0.02   0.02) =   0.038%
          HN    ILE   56 - QD1   LEU   31  18.41 +/- 2.89   0.890% *  1.3367% (0.65   0.02   0.02) =   0.022%
          HN    LYS+ 111 - QD1   LEU   31  19.13 +/- 3.68   0.776% *  0.5745% (0.28   0.02   0.02) =   0.008%
    Distance limit 3.95 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.679, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  19.22 +/- 5.90  27.717% * 52.6698% (0.97   0.02   0.02) =  48.512%  kept
          HN    ASP- 105 - QD1   LEU   31  12.62 +/- 4.01  52.104% * 18.6164% (0.34   0.02   0.02) =  32.234%  kept
          HN    PHE   55 - QD1   LEU   31  19.91 +/- 2.87  20.179% * 28.7138% (0.53   0.02   0.02) =  19.255%  kept
    Distance limit 4.34 A violated in 20 structures by 7.12 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.71, residual support = 231.9:
          HN    LEU   31 - HG    LEU   31   2.29 +/- 0.51  97.334% * 99.1431% (0.67   7.71 231.96) =  99.994%  kept
          HN    LYS+  38 - HG    LEU   31  10.73 +/- 0.76   1.509% *  0.1991% (0.52   0.02   0.02) =   0.003%
          HN    ASP-  62 - HG    LEU   31  17.49 +/- 3.99   0.845% *  0.2760% (0.72   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG    LEU   31  23.82 +/- 3.06   0.165% *  0.3050% (0.79   0.02   0.02) =   0.001%
          HN    PHE   55 - HG    LEU   31  24.32 +/- 3.03   0.147% *  0.0767% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 7.15, residual support = 231.9:
      O   HN    LEU   31 - HB3   LEU   31   3.46 +/- 0.11  93.067% * 99.3670% (0.34  10.0   7.15 231.96) =  99.982%  kept
          HN    LYS+  38 - HB3   LEU   31   9.58 +/- 0.62   4.694% *  0.2907% (1.00   1.0   0.02   0.02) =   0.015%
          HN    ASP-  62 - HB3   LEU   31  18.04 +/- 4.22   1.909% *  0.1198% (0.41   1.0   0.02   0.02) =   0.002%
          HN    ARG+  54 - HB3   LEU   31  24.39 +/- 3.34   0.330% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 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 = 0.774, support = 5.4, residual support = 40.5:
          HN    GLN   32 - HB3   LEU   31   3.91 +/- 0.25  69.729% * 72.0251% (0.76   5.92  44.89) =  86.651%  kept
          HN    ALA   34 - HB3   LEU   31   5.41 +/- 0.53  28.153% * 27.4690% (0.84   2.06  11.84) =  13.343%  kept
          HN    LEU   80 - HB3   LEU   31  19.15 +/- 3.61   0.875% *  0.2313% (0.73   0.02   0.02) =   0.003%
          HN    SER   85 - HB3   LEU   31  22.73 +/- 6.28   0.887% *  0.1196% (0.38   0.02   0.02) =   0.002%
          HN    CYS   53 - HB3   LEU   31  24.55 +/- 3.43   0.356% *  0.1551% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.52, residual support = 19.7:
        T HA    ASN   28 - HB2   LEU   31   3.83 +/- 0.43  69.898% * 93.7026% (0.73 10.00   2.54  19.77) =  99.205%  kept
        T HA    ALA   34 - HB2   LEU   31   7.60 +/- 0.40   9.690% *  4.6007% (0.90 10.00   0.08  11.84) =   0.675%  kept
          HA    THR   26 - HB2   LEU   31   9.04 +/- 0.52   5.542% *  1.0946% (0.76  1.00   0.22   0.02) =   0.092%
          HA1   GLY  101 - HB2   LEU   31  13.57 +/- 6.76  11.879% *  0.1279% (0.99  1.00   0.02   0.02) =   0.023%
        T HA    ALA  124 - HB2   LEU   31  25.29 +/- 6.64   0.605% *  0.1991% (0.15 10.00   0.02   0.02) =   0.002%
          HA    LEU  115 - HB2   LEU   31  20.83 +/- 4.13   0.973% *  0.0986% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  24.21 +/- 4.22   0.503% *  0.1279% (0.99  1.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - HB2   LEU   31  24.07 +/- 3.61   0.501% *  0.0287% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  24.02 +/- 3.16   0.410% *  0.0199% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.15, residual support = 231.9:
      O   HN    LEU   31 - HB2   LEU   31   2.76 +/- 0.32  95.977% * 99.3670% (0.34  10.0   7.15 231.96) =  99.991%  kept
          HN    LYS+  38 - HB2   LEU   31  10.10 +/- 0.68   2.266% *  0.2907% (1.00   1.0   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   LEU   31  18.92 +/- 4.34   1.562% *  0.1198% (0.41   1.0   0.02   0.02) =   0.002%
          HN    ARG+  54 - HB2   LEU   31  25.32 +/- 3.36   0.195% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.77, support = 5.84, residual support = 42.3:
          HN    GLN   32 - HB2   LEU   31   2.78 +/- 0.23  86.374% * 63.3643% (0.76   6.07  44.89) =  92.242%  kept
          HN    ALA   34 - HB2   LEU   31   5.38 +/- 0.35  12.711% * 36.2017% (0.84   3.17  11.84) =   7.756%  kept
          HN    LEU   80 - HB2   LEU   31  19.62 +/- 4.05   0.392% *  0.1984% (0.73   0.02   0.02) =   0.001%
          HN    SER   85 - HB2   LEU   31  23.34 +/- 6.62   0.389% *  0.1026% (0.38   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   31  25.51 +/- 3.32   0.135% *  0.1330% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 7.15, residual support = 231.9:
      O   HN    LEU   31 - HA    LEU   31   2.73 +/- 0.06  95.024% * 99.3670% (0.34  10.0   7.15 231.96) =  99.986%  kept
          HN    LYS+  38 - HA    LEU   31   8.06 +/- 0.62   3.961% *  0.2907% (1.00   1.0   0.02   0.02) =   0.012%
          HN    ASP-  62 - HA    LEU   31  17.23 +/- 3.65   0.853% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  24.18 +/- 2.82   0.161% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.48, residual support = 39.5:
      O   HN    GLN   32 - HA    LEU   31   3.60 +/- 0.03  46.903% * 84.9412% (0.76  10.0   5.92  44.89) =  83.729%  kept
          HN    ALA   34 - HA    LEU   31   3.50 +/- 0.54  52.017% * 14.8823% (0.84   1.0   3.21  11.84) =  16.269%  kept
          HN    LEU   80 - HA    LEU   31  19.22 +/- 3.44   0.499% *  0.0807% (0.73   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HA    LEU   31  23.27 +/- 5.90   0.408% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.47 +/- 2.85   0.172% *  0.0541% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.494, support = 1.03, residual support = 1.31:
          QD1   LEU   73 - HA    LEU   31   6.69 +/- 2.99  44.365% * 59.4671% (0.49   1.16   1.60) =  78.306%  kept
          QD1   LEU   63 - HA    LEU   31  11.76 +/- 3.89  20.407% * 32.7323% (0.49   0.64   0.27) =  19.826%  kept
          QD1   LEU  104 - HA    LEU   31  12.06 +/- 3.66  11.661% *  2.0939% (0.99   0.02   0.02) =   0.725%  kept
          QD2   LEU   80 - HA    LEU   31  15.24 +/- 4.59   9.646% *  1.8325% (0.87   0.02   0.02) =   0.525%  kept
          QG1   VAL   83 - HA    LEU   31  16.50 +/- 5.35   9.439% *  1.6916% (0.80   0.02   0.02) =   0.474%  kept
          QD2   LEU  115 - HA    LEU   31  17.00 +/- 3.30   2.219% *  1.7646% (0.84   0.02   0.02) =   0.116%  kept
          QG2   ILE   89 - HA    LEU   31  18.52 +/- 3.96   2.264% *  0.4181% (0.20   0.02   0.02) =   0.028%
    Distance limit 3.89 A violated in 12 structures by 1.64 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.519, support = 3.43, residual support = 15.6:
          HD1   TRP   87 - QG2   VAL   83   2.76 +/- 0.88  69.646% * 74.0473% (0.53   3.63  15.59) =  91.795%  kept
          HE3   TRP   87 - QG2   VAL   83   6.23 +/- 0.95  21.524% * 21.0088% (0.45   1.21  15.59) =   8.049%  kept
          HN    TRP   27 - QG2   VAL   83  16.01 +/- 5.99   1.336% *  3.1123% (1.00   0.08   0.02) =   0.074%
          HN    ALA   91 - QG2   VAL   83   7.87 +/- 1.58   6.180% *  0.6473% (0.84   0.02   0.02) =   0.071%
          HN    ALA   61 - QG2   VAL   83  14.53 +/- 2.48   0.827% *  0.5922% (0.76   0.02   0.02) =   0.009%
          HN    THR   39 - QG2   VAL   83  19.90 +/- 4.50   0.269% *  0.4387% (0.57   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   VAL   83  21.26 +/- 4.60   0.218% *  0.1534% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.04 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  13.96 +/- 3.23 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.23 A violated in 20 structures by 10.73 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.547, support = 0.02, residual support = 0.0841:
          QD    PHE   59 - QG2   VAL   42   6.82 +/- 2.06  48.609% * 17.5479% (0.39   0.02   0.02) =  37.923%  kept
          HE21  GLN   30 - QG2   VAL   42   9.82 +/- 1.50  21.812% * 30.1124% (0.67   0.02   0.02) =  29.202%  kept
          HH2   TRP   49 - QG2   VAL   42  14.64 +/- 3.54  12.781% * 34.7918% (0.77   0.02   0.02) =  19.771%  kept
          HD1   TRP   27 - QG2   VAL   42  12.02 +/- 2.33  16.797% * 17.5479% (0.39   0.02   0.51) =  13.105%  kept
    Distance limit 3.42 A violated in 17 structures by 2.76 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.757, support = 0.292, residual support = 1.5:
          QD2   LEU   40 - QG2   VAL   42   3.55 +/- 1.18  40.162% * 57.6237% (0.79  1.00   0.33   1.71) =  87.006%  kept
        T HB    VAL   75 - QG2   VAL   42   7.21 +/- 1.84  11.700% * 17.0940% (0.39 10.00   0.02   0.02) =   7.519%  kept
          QD1   LEU   67 - QG2   VAL   42   5.66 +/- 1.57  17.162% *  3.5041% (0.80  1.00   0.02   0.02) =   2.261%  kept
          HG3   LYS+  74 - QG2   VAL   42   9.96 +/- 2.21   2.569% * 14.4882% (0.76  1.00   0.09   0.02) =   1.399%  kept
          QD2   LEU   71 - QG2   VAL   42   6.38 +/- 1.20  11.791% *  1.7094% (0.39  1.00   0.02   0.78) =   0.758%  kept
          QG2   ILE  103 - QG2   VAL   42   7.21 +/- 1.62   4.788% *  3.4808% (0.79  1.00   0.02   0.02) =   0.626%  kept
          QG2   ILE  119 - QG2   VAL   42   8.39 +/- 3.05   7.722% *  0.7819% (0.18  1.00   0.02   0.02) =   0.227%  kept
          QD1   ILE  103 - QG2   VAL   42   7.70 +/- 1.76   4.106% *  1.3180% (0.30  1.00   0.02   0.02) =   0.203%  kept
    Distance limit 3.13 A violated in 0 structures by 0.26 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 = 0.981, support = 4.21, residual support = 24.5:
        T HZ2   TRP   27 - QD2   LEU   31   3.00 +/- 0.39  70.246% * 97.3312% (0.99 10.00   4.25  24.70) =  98.852%  kept
        T HZ2   TRP   27 - QG2   VAL   43   7.22 +/- 3.98  29.754% *  2.6688% (0.07 10.00   0.81   3.17) =   1.148%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 52.4:
          HE22  GLN   30 - QD2   LEU   31   4.36 +/- 0.36  76.018% * 99.1216% (0.90   3.20  52.41) =  99.967%  kept
          HD22  ASN   69 - QD2   LEU   31  14.43 +/- 2.27   2.981% *  0.4470% (0.65   0.02   0.02) =   0.018%
          HE22  GLN   30 - QG2   VAL   43   9.58 +/- 2.83  13.003% *  0.0419% (0.06   0.02   0.02) =   0.007%
          HN    TRP   49 - QD2   LEU   31  19.02 +/- 2.85   1.350% *  0.3364% (0.49   0.02   0.02) =   0.006%
          HD22  ASN   69 - QG2   VAL   43  13.29 +/- 2.18   3.315% *  0.0303% (0.04   0.02   0.02) =   0.001%
          HN    TRP   49 - QG2   VAL   43  12.98 +/- 1.22   3.333% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.50 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.5:
      O T HA    VAL   43 - QG2   VAL   43   2.29 +/- 0.35  92.773% * 99.3737% (0.50  10.0 10.00   3.00  61.49) =  99.987%  kept
        T HA    VAL   43 - QD2   LEU   31   8.70 +/- 2.44   2.945% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.009%
          HA    HIS   22 - QG2   VAL   43  12.20 +/- 3.02   0.982% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QG2   VAL   43  13.17 +/- 2.02   0.678% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QD2   LEU   31   9.95 +/- 0.76   1.528% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - QD2   LEU   31  13.66 +/- 2.16   1.094% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.183, support = 3.15, residual support = 22.3:
        T HZ3   TRP   27 - QD2   LEU   31   3.03 +/- 0.37  68.532% * 78.6380% (0.14 10.00   3.34  24.70) =  88.910%  kept
          HZ3   TRP   27 - QG2   VAL   43   6.51 +/- 3.45  31.468% * 21.3620% (0.50  1.00   1.56   3.17) =  11.090%  kept
    Distance limit 3.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.888, support = 4.41, residual support = 42.1:
          HN    GLN   32 - QG    GLN   32   3.52 +/- 0.62  75.822% * 84.5769% (0.92   4.47  44.29) =  94.971%  kept
          HN    ALA   34 - QG    GLN   32   5.44 +/- 0.56  22.785% * 14.8920% (0.22   3.26   0.63) =   5.025%  kept
          HN    SER   85 - QG    GLN   32  25.26 +/- 5.71   0.443% *  0.3959% (0.97   0.02   0.02) =   0.003%
          HN    THR   94 - QG    GLN   32  20.94 +/- 2.26   0.478% *  0.0718% (0.18   0.02   0.02) =   0.001%
          HN    LEU   80 - QG    GLN   32  21.78 +/- 3.43   0.471% *  0.0633% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 44.1:
      O   HN    GLN   32 - QB    GLN   32   2.19 +/- 0.15  90.092% * 96.0784% (0.92  10.0   4.47  44.29) =  99.586%  kept
          HN    ALA   34 - QB    GLN   32   4.69 +/- 0.22   9.494% *  3.7869% (0.22   1.0   3.27   0.63) =   0.414%  kept
          HN    SER   85 - QB    GLN   32  24.29 +/- 5.77   0.127% *  0.1004% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.96 +/- 2.21   0.139% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  20.72 +/- 3.62   0.148% *  0.0161% (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 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.265, support = 6.2, residual support = 53.8:
      O   HN    GLN   30 - HA    GLU-  29   3.49 +/- 0.03  25.555% * 64.8882% (0.36  10.0   6.38  26.50) =  56.718%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.80 +/- 0.04  49.519% * 25.0114% (0.14  10.0   6.08  91.53) =  42.364%  kept
          HN    GLN   30 - HA    LYS+  33   7.31 +/- 0.47   2.893% *  3.8476% (0.57   1.0   0.75   0.53) =   0.381%  kept
          HN    GLN   30 - HA    GLN   32   6.86 +/- 0.22   3.380% *  2.7665% (0.55   1.0   0.55   1.67) =   0.320%  kept
          HE1   HIS  122 - HA    GLU-  29  20.88 +/- 6.56   2.920% *  0.9699% (0.36   1.0   0.30   0.02) =   0.097%
          HN    GLU-  29 - HA    LYS+  33   8.84 +/- 0.70   1.663% *  1.4831% (0.22   1.0   0.75   0.02) =   0.084%
          HN    GLU-  14 - HA    GLU-  29  16.71 +/- 4.32   7.588% *  0.0748% (0.41   1.0   0.02   0.02) =   0.019%
          HN    GLU-  29 - HA    GLN   32   7.93 +/- 0.39   2.212% *  0.0384% (0.21   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    LYS+  33  14.45 +/- 3.27   0.692% *  0.1183% (0.65   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    GLN   32  14.54 +/- 4.91   0.822% *  0.0904% (0.50   1.0   0.02   0.02) =   0.003%
          HE1   HIS  122 - HA    GLN   32  19.56 +/- 5.91   0.710% *  0.0997% (0.55   1.0   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    GLN   32  17.24 +/- 3.33   0.448% *  0.1149% (0.63   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  15.66 +/- 4.18   0.436% *  0.0930% (0.51   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  19.35 +/- 5.41   0.381% *  0.1026% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  17.14 +/- 4.85   0.388% *  0.0588% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  26.53 +/- 6.78   0.131% *  0.0904% (0.50   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  26.10 +/- 7.53   0.181% *  0.0588% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  28.54 +/- 6.25   0.083% *  0.0930% (0.51   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.29, residual support = 42.9:
      O   HN    GLN   32 - HA    GLN   32   2.80 +/- 0.07  60.612% * 78.4255% (0.39  10.0   4.30  44.29) =  95.348%  kept
          HN    GLN   32 - HA    LYS+  33   5.14 +/- 0.16   9.988% * 19.7752% (0.40   1.0   4.90  16.14) =   3.962%  kept
          HN    GLN   32 - HA    GLU-  29   3.67 +/- 0.32  28.172% *  1.2186% (0.25   1.0   0.48   0.02) =   0.689%  kept
          HN    SER   85 - HA    GLN   32  26.70 +/- 6.11   0.128% *  0.1279% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  26.10 +/- 6.95   0.175% *  0.0832% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  28.68 +/- 5.52   0.086% *  0.1316% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.43 +/- 2.54   0.158% *  0.0674% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.87 +/- 1.82   0.120% *  0.0694% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.71 +/- 2.59   0.159% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  22.50 +/- 2.38   0.127% *  0.0214% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  23.72 +/- 2.23   0.108% *  0.0220% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  21.50 +/- 3.78   0.168% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 137.1:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.02  52.889% * 79.1740% (0.69  10.0   6.22 153.21) =  88.280%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.58 +/- 0.04  27.143% * 20.3613% (0.18  10.0   4.42  16.14) =  11.651%  kept
          HN    LYS+  33 - HA    GLU-  29   4.60 +/- 0.91  17.402% *  0.1823% (0.19   1.0   0.16   0.02) =   0.067%
          HN    CYS   21 - HA    LYS+  33  14.08 +/- 1.47   0.498% *  0.1034% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.67 +/- 1.14   0.865% *  0.0289% (0.25   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLN   32  14.66 +/- 1.42   0.434% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  23.31 +/- 4.14   0.146% *  0.0517% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  24.38 +/- 4.97   0.199% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  23.03 +/- 4.55   0.161% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  29.55 +/- 4.85   0.065% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  27.23 +/- 5.64   0.103% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  27.55 +/- 5.30   0.094% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.625, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  15.65 +/- 1.83  12.944% * 37.1179% (0.92   0.02   0.02) =  36.568%  kept
          HE3   TRP   27 - QB    LYS+  33   8.36 +/- 0.84  68.247% *  5.4417% (0.14   0.02   0.02) =  28.266%  kept
          HN    LYS+  66 - QB    LYS+  33  16.17 +/- 2.51  13.058% * 18.0271% (0.45   0.02   0.02) =  17.916%  kept
          HN    LYS+  81 - QB    LYS+  33  22.59 +/- 3.95   5.751% * 39.4132% (0.98   0.02   0.02) =  17.250%  kept
    Distance limit 3.76 A violated in 20 structures by 4.48 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 = 153.2:
      O   HN    LYS+  33 - QB    LYS+  33   2.28 +/- 0.25  98.705% * 99.9232% (0.97  10.0   6.16 153.21) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  11.01 +/- 1.18   1.029% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  20.47 +/- 3.90   0.267% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.875, support = 5.6, residual support = 36.0:
          HN    ALA   34 - QB    LYS+  33   3.32 +/- 0.36  69.119% * 67.2730% (0.92   5.93  40.17) =  82.727%  kept
          HN    GLN   32 - QB    LYS+  33   4.52 +/- 0.39  30.050% * 32.3040% (0.65   4.06  16.14) =  17.271%  kept
          HN    LEU   80 - QB    LYS+  33  20.89 +/- 3.27   0.388% *  0.2054% (0.84   0.02   0.02) =   0.001%
          HN    CYS   53 - QB    LYS+  33  25.84 +/- 2.10   0.174% *  0.1492% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  25.10 +/- 4.99   0.269% *  0.0684% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.541, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  16.75 +/- 3.45  21.023% * 24.3087% (0.57   0.02   0.02) =  30.565%  kept
          HN    GLY   16 - QB    LYS+  33  10.95 +/- 2.52  59.583% *  8.4971% (0.20   0.02   0.02) =  30.280%  kept
          HN    SER   82 - QB    LYS+  33  22.99 +/- 4.77  11.687% * 34.3809% (0.80   0.02   0.02) =  24.032%  kept
          HN    GLN   90 - QB    LYS+  33  26.25 +/- 3.39   7.706% * 32.8133% (0.76   0.02   0.02) =  15.124%  kept
    Distance limit 3.96 A violated in 20 structures by 6.62 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.515, support = 5.58, residual support = 148.8:
      O   HA    LYS+  33 - HG2   LYS+  33   3.87 +/- 0.31  37.225% * 92.1288% (0.53  10.0   5.66 153.21) =  96.775%  kept
          HB2   SER   82 - QG    LYS+  81   5.74 +/- 1.37  18.759% *  4.6901% (0.13   1.0   4.02  19.91) =   2.483%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.21 +/- 1.29  13.227% *  1.7143% (0.38   1.0   0.52   0.02) =   0.640%  kept
          HB2   SER   37 - HG2   LYS+  33   6.29 +/- 2.08  17.904% *  0.1463% (0.84   1.0   0.02   0.02) =   0.074%
          HA    VAL   70 - HG2   LYS+  33  12.01 +/- 2.33   2.066% *  0.1463% (0.84   1.0   0.02   0.02) =   0.009%
          HA    VAL   18 - HG2   LYS+  33  10.92 +/- 1.86   3.256% *  0.0597% (0.34   1.0   0.02   0.02) =   0.005%
          HA1   GLY   16 - HG2   LYS+  33  13.02 +/- 2.86   1.623% *  0.0852% (0.49   1.0   0.02   0.02) =   0.004%
          HA    GLN  116 - HG2   LYS+ 106  15.53 +/- 2.59   0.664% *  0.0887% (0.51   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HG2   LYS+  33  23.66 +/- 4.19   0.353% *  0.1463% (0.84   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   LYS+ 106  17.85 +/- 3.45   0.574% *  0.0887% (0.51   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  20.79 +/- 2.52   0.343% *  0.0887% (0.51   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+ 106  23.33 +/- 4.98   0.447% *  0.0517% (0.30   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    LYS+  81  21.56 +/- 2.75   0.258% *  0.0700% (0.40   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+ 106  20.57 +/- 5.85   0.598% *  0.0295% (0.17   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  24.73 +/- 6.81   0.357% *  0.0487% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  23.83 +/- 2.68   0.209% *  0.0700% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  24.56 +/- 4.11   0.201% *  0.0700% (0.40   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  20.13 +/- 3.69   0.378% *  0.0362% (0.21   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.48 +/- 2.31   0.221% *  0.0559% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  21.59 +/- 7.38   0.396% *  0.0286% (0.16   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  22.42 +/- 3.97   0.255% *  0.0399% (0.23   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  22.46 +/- 5.26   0.301% *  0.0315% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  26.34 +/- 7.20   0.212% *  0.0408% (0.23   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  24.79 +/- 3.76   0.174% *  0.0441% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.95, residual support = 122.3:
        T QD1   ILE   56 - QG2   ILE   56   2.62 +/- 0.57  89.643% * 99.6085% (0.98 10.00   4.95 122.27) =  99.989%  kept
        T QG1   VAL   41 - QG2   ILE   56  13.16 +/- 2.31   3.679% *  0.1568% (0.15 10.00   0.02   0.02) =   0.006%
          QD2   LEU   73 - QG2   ILE   56  10.98 +/- 2.25   3.160% *  0.0814% (0.80  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - QG2   ILE   56  14.09 +/- 1.57   0.858% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QG2   ILE   56  17.84 +/- 2.75   0.575% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.00 +/- 1.50   2.084% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.986, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   3.24 +/- 0.97  86.164% * 49.9558% (0.99 10.00   0.02   0.02) =  98.277%  kept
        T HA    ILE   19 - QG2   ILE   56  17.62 +/- 2.04   1.372% * 42.0992% (0.84 10.00   0.02   0.02) =   1.319%  kept
          HA    GLU- 114 - QG2   ILE   56   9.07 +/- 1.72  10.272% *  1.2568% (0.25  1.00   0.02   0.02) =   0.295%  kept
          HA    GLU-  25 - QG2   ILE   56  20.81 +/- 2.85   0.757% *  3.0570% (0.61  1.00   0.02   0.02) =   0.053%
          HA    THR   26 - QG2   ILE   56  21.06 +/- 2.22   0.658% *  2.8535% (0.57  1.00   0.02   0.02) =   0.043%
          HA1   GLY  101 - QG2   ILE   56  20.20 +/- 2.22   0.777% *  0.7777% (0.15  1.00   0.02   0.02) =   0.014%
    Distance limit 3.21 A violated in 2 structures by 0.38 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 = 0.892, support = 3.82, residual support = 18.2:
          HA    PHE   55 - QG2   ILE   56   4.85 +/- 0.56  34.612% * 86.8239% (0.92   4.19  20.17) =  88.939%  kept
          HA    ALA  110 - QG2   ILE   56   6.19 +/- 3.02  30.165% * 12.1605% (0.65   0.84   2.34) =  10.856%  kept
          HA    VAL   42 - QG2   ILE   56  11.31 +/- 2.38  11.589% *  0.3596% (0.80   0.02   0.02) =   0.123%  kept
          HA    THR   46 - QG2   ILE   56   6.77 +/- 2.04  19.439% *  0.0889% (0.20   0.02   0.02) =   0.051%
          HA    GLN   90 - QG2   ILE   56  12.27 +/- 2.62   2.413% *  0.3432% (0.76   0.02   0.02) =   0.025%
          HA    GLN   17 - QG2   ILE   56  17.91 +/- 3.72   1.041% *  0.1120% (0.25   0.02   0.02) =   0.003%
          HA    SER   37 - QG2   ILE   56  21.68 +/- 3.68   0.742% *  0.1120% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.42 A violated in 2 structures by 0.75 A, kept.
 
    Peak 2495 (6.89, 1.27, 17.92 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG2   ILE   56  10.25 +/- 1.45 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 20 structures by 7.21 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 5.22, residual support = 31.0:
          HN    ALA   57 - QG2   ILE   56   3.62 +/- 0.30  79.172% * 99.1001% (0.92   5.22  31.07) =  99.914%  kept
          HE21  GLN  116 - QG2   ILE   56   9.82 +/- 2.29  14.608% *  0.3565% (0.87   0.02   0.02) =   0.066%
          HN    ALA  120 - QG2   ILE   56  10.83 +/- 1.37   4.287% *  0.2001% (0.49   0.02   0.02) =   0.011%
          HE21  GLN   90 - QG2   ILE   56  14.13 +/- 2.98   1.933% *  0.3433% (0.84   0.02   0.02) =   0.008%
    Distance limit 3.53 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.639, support = 6.59, residual support = 120.2:
          HN    ILE   56 - QG2   ILE   56   2.20 +/- 0.48  67.075% * 88.5040% (0.65   6.69 122.27) =  98.242%  kept
          QE    PHE   60 - QG2   ILE   56   5.43 +/- 2.22  25.347% *  3.0365% (0.20   0.75   4.08) =   1.274%  kept
          HN    LYS+ 111 - QG2   ILE   56   7.12 +/- 2.26   3.834% *  7.3427% (0.28   1.29   1.93) =   0.466%  kept
          HN    LEU   63 - QG2   ILE   56   8.16 +/- 1.51   3.029% *  0.3127% (0.76   0.02   0.02) =   0.016%
          HD21  ASN   28 - QG2   ILE   56  18.38 +/- 3.28   0.233% *  0.3777% (0.92   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  16.16 +/- 2.66   0.222% *  0.3127% (0.76   0.02   0.02) =   0.001%
          HN    ALA   84 - QG2   ILE   56  15.23 +/- 2.14   0.260% *  0.1138% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.779, support = 2.34, residual support = 3.52:
        T HB    THR   39 - QB    ALA   34   5.45 +/- 1.94  28.438% * 92.4330% (0.80 10.00   2.43   3.39) =  91.414%  kept
          HA    GLN   30 - QB    ALA   34   4.22 +/- 1.09  38.969% *  4.3659% (0.44  1.00   1.74   6.79) =   5.917%  kept
          HB3   SER   37 - QB    ALA   34   5.29 +/- 1.19  27.157% *  2.8121% (0.69  1.00   0.71   0.53) =   2.656%  kept
          QB    SER   13 - QB    ALA   34  12.31 +/- 1.80   1.955% *  0.0951% (0.83  1.00   0.02   0.02) =   0.006%
          HB3   SER   82 - QB    ALA   34  18.99 +/- 4.99   0.816% *  0.1022% (0.89  1.00   0.02   0.02) =   0.003%
          HB    THR  118 - QB    ALA   34  14.49 +/- 3.00   1.404% *  0.0387% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  20.79 +/- 3.76   0.464% *  0.0788% (0.69  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  23.26 +/- 2.18   0.266% *  0.0584% (0.51  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QB    ALA   34  18.76 +/- 1.99   0.531% *  0.0159% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.88, residual support = 11.8:
          HA    LEU   31 - QB    ALA   34   2.50 +/- 0.45 100.000% *100.0000% (0.65   1.88  11.84) = 100.000%  kept
    Distance limit 3.37 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 = 0.753, support = 3.06, residual support = 8.44:
        T QG1   VAL   41 - QB    ALA   34   3.85 +/- 2.46  50.306% * 88.2794% (0.75 10.00   3.12   8.25) =  94.375%  kept
          HG    LEU   31 - QB    ALA   34   4.70 +/- 0.72  24.770% * 10.5445% (0.83  1.00   2.16  11.84) =   5.550%  kept
        T QG2   VAL   18 - QB    ALA   34   9.01 +/- 1.83   3.292% *  0.4345% (0.37 10.00   0.02   0.02) =   0.030%
          QD2   LEU   73 - QB    ALA   34   6.03 +/- 1.72  15.164% *  0.0846% (0.72  1.00   0.02   0.02) =   0.027%
        T QD1   ILE   56 - QB    ALA   34  14.13 +/- 1.46   0.788% *  0.5561% (0.47 10.00   0.02   0.02) =   0.009%
          QG1   VAL   43 - QB    ALA   34   7.71 +/- 1.77   4.773% *  0.0684% (0.58  1.00   0.02   0.02) =   0.007%
          QG2   THR   46 - QB    ALA   34  13.41 +/- 2.01   0.907% *  0.0326% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 2.61 A violated in 2 structures by 0.45 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.35, residual support = 20.1:
          HN    ASN   35 - QB    ALA   34   2.93 +/- 0.19  96.576% * 98.6157% (0.62   3.35  20.14) =  99.986%  kept
          HN    ALA   12 - QB    ALA   34  16.18 +/- 2.36   0.729% *  0.8552% (0.89   0.02   0.02) =   0.007%
          HN    PHE   97 - QB    ALA   34  11.55 +/- 2.11   2.088% *  0.2646% (0.28   0.02   0.02) =   0.006%
          HN    LEU  115 - QB    ALA   34  17.42 +/- 2.47   0.607% *  0.2646% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.46 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 = 3.66, residual support = 25.0:
      O   HN    ALA   34 - QB    ALA   34   2.04 +/- 0.07  98.819% * 99.6936% (0.58  10.0   3.66  24.97) =  99.999%  kept
          HN    THR   26 - QB    ALA   34  10.32 +/- 0.98   0.837% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  16.91 +/- 2.74   0.237% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.60 +/- 2.08   0.107% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 3.47, residual support = 25.0:
      O   HN    ALA   34 - HA    ALA   34   2.72 +/- 0.03  91.288% * 99.6949% (0.87  10.0   3.47  24.97) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.54 +/- 0.29   6.723% *  0.0287% (0.25   1.0   0.02   0.63) =   0.002%
          HN    LEU   80 - HA    ALA   34  21.60 +/- 3.26   0.234% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  23.22 +/- 6.11   0.945% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.10 +/- 2.53   0.116% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  24.28 +/- 2.47   0.151% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  25.49 +/- 6.72   0.473% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  31.05 +/- 2.84   0.069% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.814, support = 1.39, residual support = 2.93:
          HB    THR   39 - HA    ALA   34   5.55 +/- 2.17  26.325% * 67.1651% (0.88   1.77   3.39) =  63.060%  kept
          HB3   SER   37 - HA    ALA   34   4.37 +/- 2.10  41.377% * 18.5232% (0.89   0.48   0.53) =  27.335%  kept
          HA    GLN   30 - HA    ALA   34   5.32 +/- 1.26  25.616% * 10.4203% (0.16   1.53   6.79) =   9.520%  kept
          QB    SER   13 - HA    ALA   34  13.71 +/- 2.42   1.617% *  0.7490% (0.87   0.02   0.02) =   0.043%
          HB    THR  118 - HA    ALA   34  18.38 +/- 3.62   0.535% *  0.5931% (0.69   0.02   0.02) =   0.011%
          HB3   SER   82 - HA    ALA   34  24.15 +/- 5.85   0.326% *  0.5636% (0.65   0.02   0.02) =   0.007%
          HB    THR  118 - HA    ALA  124  12.47 +/- 0.64   1.261% *  0.1362% (0.16   0.02   0.02) =   0.006%
          HA    ILE   89 - HA    ALA   34  26.60 +/- 4.56   0.175% *  0.7744% (0.89   0.02   0.02) =   0.005%
          HB3   SER   37 - HA    ALA  124  22.55 +/- 6.79   0.696% *  0.1778% (0.21   0.02   0.02) =   0.004%
          HB    THR   39 - HA    ALA  124  19.91 +/- 6.24   0.603% *  0.1746% (0.20   0.02   0.02) =   0.004%
          QB    SER   13 - HA    ALA  124  22.65 +/- 4.59   0.298% *  0.1719% (0.20   0.02   0.02) =   0.002%
          HA    GLN   30 - HA    ALA  124  24.51 +/- 5.96   0.779% *  0.0312% (0.04   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA   34  29.30 +/- 2.62   0.118% *  0.1728% (0.20   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    ALA  124  31.41 +/- 2.33   0.079% *  0.1778% (0.21   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  34.26 +/- 3.87   0.072% *  0.1294% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  27.08 +/- 3.11   0.125% *  0.0397% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.896, support = 4.03, residual support = 54.8:
      O T HA    ASN   35 - HB2   ASN   35   2.66 +/- 0.16  78.285% * 97.5620% (0.90  10.0 10.00   4.04  54.84) =  99.958%  kept
        T HA    LEU   40 - HB2   ASN   35  10.27 +/- 1.77   2.544% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.023%
        T HA    GLU-  15 - HB2   ASN   35  15.10 +/- 3.39   1.166% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.007%
        T HA    ASN   35 - HB2   ASN   28  13.55 +/- 0.90   0.636% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   ASN   28  19.94 +/- 5.35  10.856% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - HB2   ASN   28  16.29 +/- 2.63   0.567% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   ASN   35  12.62 +/- 4.23   1.445% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   ASN   28  17.55 +/- 2.89   0.451% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB2   ASN   28  16.90 +/- 5.15   1.552% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  17.83 +/- 3.65   0.613% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  22.65 +/- 6.20   0.277% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  25.51 +/- 7.32   0.600% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  26.18 +/- 3.64   0.111% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  24.10 +/- 4.29   0.174% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  28.17 +/- 4.21   0.117% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.25 +/- 3.94   0.167% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  23.19 +/- 4.97   0.286% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  28.44 +/- 5.37   0.152% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.86, residual support = 54.8:
      O   HN    ASN   35 - HB2   ASN   35   3.16 +/- 0.41  74.628% * 99.0414% (0.57  10.0   5.87  54.84) =  99.891%  kept
          HE1   HIS  122 - HB2   ASN   28  21.28 +/- 7.34  12.670% *  0.5943% (0.15   1.0   0.45   0.02) =   0.102%  kept
          HN    LYS+  99 - HB2   ASN   35  14.10 +/- 4.70   2.140% *  0.0990% (0.57   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HB2   ASN   28  18.89 +/- 4.52   4.314% *  0.0186% (0.11   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   ASN   28  11.25 +/- 0.80   1.978% *  0.0308% (0.18   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASN   35  19.13 +/- 5.28   0.642% *  0.0852% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASN   35  16.94 +/- 3.51   0.858% *  0.0597% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   ASN   28  17.70 +/- 5.28   1.195% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  20.29 +/- 4.03   0.539% *  0.0306% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  22.52 +/- 5.77   1.037% *  0.0095% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 54.8:
      O   HD21  ASN   35 - HB2   ASN   35   3.12 +/- 0.49  90.639% * 99.7208% (1.00  10.0   3.59  54.84) =  99.997%  kept
          HN    LEU   67 - HB2   ASN   35  17.48 +/- 4.83   3.439% *  0.0277% (0.28   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   ASN   28  12.37 +/- 1.44   1.902% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  12.00 +/- 1.22   2.111% *  0.0237% (0.24   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   35  19.15 +/- 2.38   0.558% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  29.79 +/- 3.26   0.144% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  26.18 +/- 4.70   0.297% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  19.57 +/- 2.89   0.524% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  32.41 +/- 4.60   0.116% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  27.50 +/- 5.65   0.270% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.809, support = 2.54, residual support = 6.65:
        T HA    GLN   32 - HB2   ASN   35   4.98 +/- 0.98  25.891% * 74.0291% (0.99 10.00   2.05   3.33) =  77.931%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.30 +/- 0.20  34.162% *  7.9253% (0.11 10.00   5.65  32.02) =  11.008%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.60 +/- 0.36  16.218% * 16.6286% (0.22 10.00   2.85   4.80) =  10.965%  kept
        T HA    GLN   32 - HB2   ASN   28   8.82 +/- 0.85   4.265% *  0.2303% (0.31 10.00   0.02   0.02) =   0.040%
        T HA    GLU-  29 - HB2   ASN   35  10.24 +/- 0.94   2.540% *  0.2548% (0.34 10.00   0.02   0.02) =   0.026%
        T HA    LYS+  65 - HB2   ASN   35  19.62 +/- 4.59   0.749% *  0.3349% (0.45 10.00   0.02   0.02) =   0.010%
        T HA    LYS+  33 - HB2   ASN   28  10.77 +/- 0.83   2.300% *  0.0517% (0.07 10.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - HB2   ASN   35  16.76 +/- 4.29   3.246% *  0.0280% (0.38  1.00   0.02   0.02) =   0.004%
          HA    VAL   18 - HB2   ASN   35  15.56 +/- 2.95   2.826% *  0.0280% (0.38  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HB2   ASN   28  19.20 +/- 3.37   0.549% *  0.1042% (0.14 10.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HB2   ASN   28  21.30 +/- 8.85   1.549% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASN   35  26.56 +/- 6.35   0.373% *  0.0335% (0.45  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   ASN   28  21.90 +/- 7.48   1.203% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  30.78 +/- 5.36   0.124% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  25.23 +/- 4.46   0.468% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  28.56 +/- 2.98   0.142% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  14.66 +/- 1.47   0.974% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  30.84 +/- 3.59   0.111% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  26.35 +/- 6.00   0.260% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  26.09 +/- 6.20   0.278% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  27.91 +/- 3.84   0.212% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  19.59 +/- 2.60   0.481% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  23.71 +/- 4.90   0.322% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  26.12 +/- 6.69   0.758% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.989, support = 4.98, residual support = 52.0:
          QB    GLU-  36 - HB3   ASN   35   4.19 +/- 0.31  72.553% * 97.7597% (0.99   4.99  52.16) =  99.711%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.22 +/- 0.97  18.172% *  0.9680% (0.18   0.28   0.02) =   0.247%  kept
          HB3   GLU-  29 - HB3   ASN   35  10.29 +/- 1.07   5.394% *  0.3649% (0.92   0.02   0.02) =   0.028%
          HG3   GLU-  29 - HB3   ASN   35  12.15 +/- 1.01   3.099% *  0.2238% (0.57   0.02   0.02) =   0.010%
          HB3   GLU-  79 - HB3   ASN   35  22.95 +/- 3.06   0.548% *  0.3815% (0.97   0.02   0.02) =   0.003%
          HB2   GLN   90 - HB3   ASN   35  30.90 +/- 4.12   0.234% *  0.3021% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.779, support = 5.41, residual support = 46.4:
          QB    GLU-  36 - HB2   ASN   35   4.68 +/- 0.71  29.629% * 65.8914% (0.99  1.00   5.41  52.16) =  72.274%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.53 +/- 0.72  33.936% * 12.0443% (0.18  1.00   5.56  32.02) =  15.131%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.61 +/- 0.60  17.258% * 19.0078% (0.29  1.00   5.39  32.02) =  12.144%  kept
          HB2   LYS+  38 - HB2   ASN   35   6.86 +/- 1.18  12.466% *  0.8540% (0.18  1.00   0.40   0.02) =   0.394%  kept
        T HB3   GLU-  79 - HB2   ASN   28  18.27 +/- 5.03   0.804% *  0.7379% (0.30 10.00   0.02   0.02) =   0.022%
          HB3   GLU-  29 - HB2   ASN   35  11.49 +/- 0.82   1.942% *  0.2269% (0.92  1.00   0.02   0.02) =   0.016%
          HG3   GLU-  29 - HB2   ASN   35  13.31 +/- 0.87   1.234% *  0.1392% (0.57  1.00   0.02   0.02) =   0.006%
        T HB2   GLN   90 - HB2   ASN   28  26.29 +/- 4.68   0.206% *  0.5843% (0.24 10.00   0.02   0.02) =   0.004%
          QB    GLU-  36 - HB2   ASN   28  12.78 +/- 1.04   1.509% *  0.0758% (0.31  1.00   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HB2   ASN   35  23.34 +/- 3.62   0.283% *  0.2372% (0.97  1.00   0.02   0.02) =   0.002%
          HB2   GLN   90 - HB2   ASN   35  31.26 +/- 4.32   0.110% *  0.1878% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  16.95 +/- 1.80   0.624% *  0.0134% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.735, support = 1.83, residual support = 4.05:
          HA    LYS+  33 - HB3   ASN   35   4.41 +/- 0.69  33.525% * 56.3044% (0.92  1.00   1.77   4.80) =  54.401%  kept
          HA    GLN   32 - HB3   ASN   35   3.98 +/- 0.98  44.806% * 33.4703% (0.49  1.00   2.00   3.33) =  43.221%  kept
        T HA    VAL   18 - HB3   ASN   35  14.89 +/- 3.09  11.210% *  6.8661% (1.00 10.00   0.02   0.02) =   2.218%  kept
          HA    VAL   70 - HB3   ASN   35  12.78 +/- 3.62   5.650% *  0.4452% (0.65  1.00   0.02   0.02) =   0.072%
          HA    GLU-  29 - HB3   ASN   35   9.09 +/- 1.08   3.511% *  0.6820% (0.99  1.00   0.02   0.02) =   0.069%
          HA    GLN  116 - HB3   ASN   35  24.40 +/- 4.63   0.570% *  0.4452% (0.65  1.00   0.02   0.02) =   0.007%
          HB2   SER   82 - HB3   ASN   35  26.19 +/- 6.14   0.264% *  0.6866% (1.00  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB3   ASN   35  28.25 +/- 3.21   0.181% *  0.5259% (0.76  1.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HB3   ASN   35  30.47 +/- 5.29   0.148% *  0.3620% (0.53  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   ASN   35  30.55 +/- 3.55   0.135% *  0.2124% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.8:
      O   HA    ASN   35 - HB3   ASN   35   3.00 +/- 0.11  89.437% * 99.4336% (0.90  10.0   3.94  54.84) =  99.991%  kept
          HA    LEU   40 - HB3   ASN   35  10.22 +/- 1.87   4.917% *  0.0717% (0.65   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HB3   ASN   35  12.59 +/- 4.17   2.443% *  0.0847% (0.76   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   ASN   35  14.70 +/- 3.31   1.254% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  22.61 +/- 6.16   0.525% *  0.1087% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   ASN   35  17.49 +/- 3.60   0.819% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  25.98 +/- 3.76   0.175% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  23.82 +/- 4.51   0.280% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  28.13 +/- 4.42   0.150% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 54.8:
      O   HD21  ASN   35 - HB3   ASN   35   2.55 +/- 0.46  97.905% * 99.8105% (1.00  10.0   3.26  54.84) =  99.999%  kept
          HN    LEU   67 - HB3   ASN   35  17.33 +/- 4.53   1.519% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASN   35  18.21 +/- 2.26   0.400% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  29.44 +/- 3.39   0.101% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  32.09 +/- 4.42   0.075% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 5.87, residual support = 51.8:
          HN    GLU-  36 - HB3   ASN   35   2.82 +/- 0.30  87.503% * 92.7875% (0.97   5.91  52.16) =  99.229%  kept
          HN    THR   39 - HB3   ASN   35   7.19 +/- 1.20   9.547% *  6.5399% (0.90   0.45   0.02) =   0.763%  kept
          HN    LYS+ 102 - HB3   ASN   35  14.31 +/- 5.71   1.949% *  0.2718% (0.84   0.02   0.02) =   0.006%
          HN    TRP   27 - HB3   ASN   35  13.85 +/- 0.79   0.825% *  0.1004% (0.31   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB3   ASN   35  26.95 +/- 6.33   0.175% *  0.3004% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.59 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 = 5.86, residual support = 54.8:
      O   HN    ASN   35 - HB3   ASN   35   2.28 +/- 0.19  99.677% * 99.9102% (0.97  10.0   5.86  54.84) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  20.00 +/- 4.10   0.323% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 54.8:
      O   HD22  ASN   35 - HB3   ASN   35   3.48 +/- 0.36 100.000% *100.0000% (0.99  10.0   3.26  54.84) = 100.000%  kept
    Distance limit 4.17 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 = 0.921, support = 6.01, residual support = 51.9:
          HN    GLU-  36 - HB2   ASN   35   3.47 +/- 0.55  79.064% * 95.1267% (0.92   6.04  52.16) =  99.454%  kept
          HN    THR   39 - HB2   ASN   35   7.29 +/- 1.27   9.662% *  4.0204% (0.53   0.45   0.02) =   0.514%  kept
          HN    LYS+ 102 - HB2   ASN   35  14.18 +/- 6.01   5.854% *  0.3402% (1.00   0.02   0.02) =   0.026%
          HN    GLU-  36 - HB2   ASN   28  12.87 +/- 0.90   1.881% *  0.0979% (0.29   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   ASN   28  18.59 +/- 5.80   0.900% *  0.1058% (0.31   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   35  27.24 +/- 6.40   0.449% *  0.1930% (0.57   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   28  23.11 +/- 7.44   1.181% *  0.0601% (0.18   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   ASN   28  15.45 +/- 1.58   1.010% *  0.0558% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.63 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   2.34 +/- 0.17  96.066% * 99.4140% (0.84  10.0 10.00   5.56  86.28) =  99.996%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.24 +/- 1.26   0.764% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QB    GLU-  36  22.30 +/- 6.04   1.845% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  66 - QB    GLU-  36  17.82 +/- 3.69   0.409% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  26.19 +/- 3.30   0.084% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  20.44 +/- 3.72   0.287% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  25.21 +/- 5.89   0.131% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  27.67 +/- 7.05   0.232% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  26.11 +/- 3.29   0.094% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.32 +/- 3.72   0.088% *  0.0082% (0.07   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 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.7:
          HN    SER   37 - QB    GLU-  36   3.37 +/- 0.53  59.725% * 91.6583% (0.45   3.71  18.96) =  98.744%  kept
          HN    LYS+  33 - QB    GLU-  36   5.78 +/- 0.73  14.454% *  4.5181% (0.28   0.30   0.02) =   1.178%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.42 +/- 0.86  19.364% *  0.0948% (0.09   0.02   0.02) =   0.033%
          HN    CYS   21 - QB    GLU-  36  15.17 +/- 1.82   0.756% *  1.0626% (0.97   0.02   0.02) =   0.014%
          HN    CYS   21 - HB3   GLU-  29  10.82 +/- 1.38   2.432% *  0.3292% (0.30   0.02   0.02) =   0.014%
          HN    SER   37 - HB3   GLU-  29  10.96 +/- 1.39   2.350% *  0.1529% (0.14   0.02   0.02) =   0.006%
          HN    ILE  119 - QB    GLU-  36  21.48 +/- 4.36   0.357% *  0.9551% (0.87   0.02   0.02) =   0.006%
          HN    ILE   89 - QB    GLU-  36  28.30 +/- 4.29   0.132% *  0.7123% (0.65   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   GLU-  29  25.03 +/- 4.89   0.273% *  0.2959% (0.27   0.02   0.02) =   0.001%
          HN    ILE   89 - HB3   GLU-  29  28.22 +/- 5.60   0.157% *  0.2207% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.685, support = 7.28, residual support = 85.9:
      O   HN    GLU-  36 - QB    GLU-  36   2.29 +/- 0.18  86.149% * 96.5143% (0.69  10.0   7.30  86.28) =  99.599%  kept
          HN    THR   39 - QB    GLU-  36   6.26 +/- 1.22  10.472% *  3.1813% (0.28   1.0   1.63   1.33) =   0.399%  kept
          HN    LYS+ 102 - QB    GLU-  36  14.94 +/- 4.73   0.560% *  0.1219% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29  10.03 +/- 1.15   1.208% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  19.03 +/- 5.52   0.271% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.06 +/- 2.32   0.752% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.22 +/- 1.89   0.193% *  0.0350% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  26.59 +/- 5.37   0.089% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.40 +/- 3.99   0.170% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  26.52 +/- 7.22   0.135% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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   3.41 +/- 0.51  98.133% * 98.3918% (0.28   4.82  86.28) =  99.986%  kept
          HN    LYS+ 102 - HG2   GLU-  36  17.01 +/- 5.23   1.365% *  0.6583% (0.45   0.02   0.02) =   0.009%
          HN    ASP- 105 - HG2   GLU-  36  20.60 +/- 2.01   0.502% *  0.9499% (0.65   0.02   0.02) =   0.005%
    Distance limit 4.44 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 = 0.679, support = 4.75, residual support = 84.7:
          HN    GLU-  36 - HG3   GLU-  36   3.41 +/- 0.70  79.338% * 90.6845% (0.69   4.82  86.28) =  98.164%  kept
          HN    THR   39 - HG3   GLU-  36   7.14 +/- 1.52  15.977% *  8.3715% (0.28   1.10   1.33) =   1.825%  kept
          HN    LYS+ 102 - HG3   GLU-  36  17.10 +/- 5.43   1.230% *  0.4752% (0.87   0.02   0.02) =   0.008%
          HN    ASP- 105 - HG3   GLU-  36  20.59 +/- 2.15   0.450% *  0.1366% (0.25   0.02   0.02) =   0.001%
          HN    GLU-  36 - QB    MET   11  18.18 +/- 3.43   1.289% *  0.0469% (0.09   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  30.05 +/- 5.88   0.191% *  0.1691% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.42 +/- 5.18   0.290% *  0.0592% (0.11   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  18.60 +/- 2.91   0.790% *  0.0190% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  33.48 +/- 6.76   0.236% *  0.0211% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.78 +/- 3.71   0.209% *  0.0170% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 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   2.86 +/- 0.04  98.501% * 99.6076% (0.28  10.0   6.05  86.28) =  99.997%  kept
          HN    LYS+ 102 - HA    GLU-  36  15.91 +/- 5.36   1.172% *  0.1606% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ASP- 105 - HA    GLU-  36  19.70 +/- 1.87   0.328% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.8, residual support = 29.7:
      O   HN    SER   37 - HB2   SER   37   2.96 +/- 0.42  97.634% * 99.7690% (0.98  10.0   3.80  29.70) =  99.998%  kept
          HN    ILE  119 - HB2   SER   37  20.29 +/- 4.82   0.959% *  0.0883% (0.87   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB2   SER   37  14.25 +/- 2.05   1.242% *  0.0418% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB2   SER   37  28.74 +/- 4.63   0.165% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.544, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  10.22 +/- 1.54  26.069% * 12.9780% (0.47   0.02   0.02) =  28.074%  kept
          HN    GLU-  29 - HB3   SER   37  12.20 +/- 1.59  14.958% * 22.4691% (0.82   0.02   0.02) =  27.889%  kept
          HN    GLU-  29 - QB    SER   13  16.62 +/- 4.04  11.389% * 17.1942% (0.63   0.02   0.02) =  16.250%  kept
          HN    GLN   30 - QB    SER   13  15.42 +/- 3.21   9.819% *  9.9312% (0.36   0.02   0.02) =   8.092%  kept
          HN    VAL   18 - HB3   SER   37  13.88 +/- 3.03  14.690% *  6.3735% (0.23   0.02   0.02) =   7.769%  kept
          HN    VAL   18 - QB    SER   13  11.54 +/- 1.48  19.101% *  4.8772% (0.18   0.02   0.02) =   7.730%  kept
          HN    ASP-  86 - QB    SER   13  30.55 +/- 6.60   2.404% * 11.3477% (0.41   0.02   0.02) =   2.264%  kept
          HN    ASP-  86 - HB3   SER   37  28.69 +/- 5.54   1.570% * 14.8290% (0.54   0.02   0.02) =   1.931%  kept
    Distance limit 3.95 A violated in 19 structures by 4.34 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.913, support = 6.64, residual support = 218.1:
      O   HN    LYS+  38 - HA    LYS+  38   2.40 +/- 0.27  70.322% * 91.8745% (0.92  10.0   6.64 221.19) =  98.446%  kept
          HN    SER   37 - HA    LYS+  38   4.30 +/- 0.25  12.686% *  8.0299% (0.25   1.0   6.47  21.02) =   1.552%  kept
          HN    LYS+  38 - HA    GLU- 100  10.37 +/- 6.98   8.589% *  0.0056% (0.06   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LYS+  38  19.12 +/- 3.87   2.005% *  0.0197% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    LYS+  38  10.55 +/- 1.49   1.260% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100  11.57 +/- 6.70   3.001% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  26.90 +/- 3.21   0.079% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  13.42 +/- 5.25   1.892% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  27.97 +/- 3.13   0.057% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.28 +/- 3.30   0.108% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 6.43, residual support = 29.9:
      O   HN    THR   39 - HA    LYS+  38   3.15 +/- 0.24  52.052% * 91.9656% (0.92  10.0   6.51  30.35) =  98.438%  kept
          HN    GLU-  36 - HA    LYS+  38   5.76 +/- 0.57   9.331% *  7.3287% (0.95   1.0   1.56   2.46) =   1.406%  kept
          HN    LYS+ 102 - HA    GLU- 100   5.15 +/- 0.56  14.701% *  0.4788% (0.05   1.0   1.99   0.02) =   0.145%  kept
          HN    LYS+ 102 - HA    LYS+  38  12.33 +/- 5.85   5.021% *  0.0798% (0.80   1.0   0.02   0.02) =   0.008%
          HN    THR   39 - HA    GLU- 100   9.92 +/- 7.19  12.834% *  0.0056% (0.06   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    GLU- 100  11.99 +/- 6.10   3.775% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  25.85 +/- 6.45   0.188% *  0.0942% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  15.99 +/- 1.55   0.450% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.57 +/- 5.87   1.298% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  23.88 +/- 7.75   0.351% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 5.49, residual support = 21.0:
          HN    SER   37 - HB2   LYS+  38   4.59 +/- 0.22  95.070% * 99.2363% (1.00   5.49  21.02) =  99.988%  kept
          HN    ILE  119 - HB2   LYS+  38  21.21 +/- 4.89   2.506% *  0.2902% (0.80   0.02   0.02) =   0.008%
          HN    CYS   21 - HB2   LYS+  38  18.02 +/- 2.20   1.961% *  0.1236% (0.34   0.02   0.02) =   0.003%
          HN    ILE   89 - HB2   LYS+  38  29.65 +/- 5.43   0.463% *  0.3498% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.74 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.501, support = 5.44, residual support = 26.8:
          HN    THR   39 - HB2   LYS+  38   4.04 +/- 0.55  69.634% * 69.9546% (0.45   6.04  30.35) =  87.274%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.07 +/- 0.56  24.148% * 29.2880% (0.87   1.31   2.46) =  12.671%  kept
          HN    LYS+ 102 - HB2   LYS+  38  14.00 +/- 5.63   5.842% *  0.5061% (0.98   0.02   0.02) =   0.053%
          HD1   TRP   87 - HB2   LYS+  38  27.82 +/- 6.61   0.377% *  0.2513% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.59 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.755, support = 5.75, residual support = 199.4:
          HN    LYS+  38 - HG2   LYS+  38   3.20 +/- 0.40  69.335% * 71.6827% (0.80   5.85 221.19) =  89.139%  kept
          HN    SER   37 - HG2   LYS+  38   4.77 +/- 0.46  21.610% * 27.9998% (0.38   4.88  21.02) =  10.852%  kept
          HN    LYS+  38 - HG2   LYS+  99  11.61 +/- 5.85   5.416% *  0.0668% (0.22   0.02   0.02) =   0.006%
          HN    SER   37 - HG2   LYS+  99  12.76 +/- 5.71   2.914% *  0.0313% (0.10   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG2   LYS+  38  28.50 +/- 3.53   0.137% *  0.1044% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  29.29 +/- 5.68   0.148% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  26.67 +/- 3.35   0.179% *  0.0284% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  26.03 +/- 5.81   0.261% *  0.0186% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.741, support = 5.73, residual support = 193.3:
          HN    LYS+  38 - HG3   LYS+  38   4.14 +/- 0.33  62.013% * 69.6418% (0.80   5.79 221.19) =  86.075%  kept
          HN    SER   37 - HG3   LYS+  38   5.77 +/- 0.40  23.175% * 30.1343% (0.38   5.35  21.02) =  13.919%  kept
          HN    LYS+  38 - HG3   LYS+  99  11.93 +/- 6.04   8.698% *  0.0251% (0.08   0.02   0.02) =   0.004%
          HN    SER   37 - HG3   LYS+  99  13.07 +/- 5.94   4.799% *  0.0118% (0.04   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   LYS+  38  28.90 +/- 3.57   0.220% *  0.1025% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  29.74 +/- 5.90   0.275% *  0.0669% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  26.39 +/- 3.16   0.344% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.94 +/- 5.64   0.475% *  0.0070% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.958, support = 3.93, residual support = 38.5:
      O   HN    THR   39 - HA    THR   39   2.82 +/- 0.09  71.924% * 94.5375% (0.97  10.0   3.93  38.68) =  99.028%  kept
          HN    LYS+ 102 - HA    ILE  103   4.94 +/- 0.28  13.982% *  4.4080% (0.24   1.0   3.75  23.01) =   0.898%  kept
          HN    GLU-  36 - HA    THR   39   8.10 +/- 1.40   6.567% *  0.7217% (0.90   1.0   0.16   1.33) =   0.069%
          HN    LYS+ 102 - HA    THR   39  12.55 +/- 6.05   3.781% *  0.0711% (0.73   1.0   0.02   0.02) =   0.004%
          HN    THR   39 - HA    ILE  103  13.91 +/- 3.71   0.965% *  0.0312% (0.32   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.76 +/- 2.61   0.476% *  0.0403% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  19.16 +/- 6.77   0.591% *  0.0317% (0.32   1.0   0.02   3.29) =   0.000%
          HN    GLU-  36 - HA    ILE  103  16.53 +/- 3.28   0.488% *  0.0290% (0.30   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  25.86 +/- 5.54   0.142% *  0.0960% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.22 +/- 5.29   0.768% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.85 +/- 2.89   0.093% *  0.0151% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.83 +/- 2.94   0.223% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.31, residual support = 24.7:
      O   HN    LEU   40 - HA    THR   39   2.89 +/- 0.48  81.017% * 99.8247% (0.57  10.0   4.31  24.67) =  99.986%  kept
          HN    GLY  101 - HA    THR   39  11.49 +/- 6.84   6.174% *  0.1069% (0.61   1.0   0.02   0.02) =   0.008%
          HN    GLY  101 - HA    ILE  103   6.24 +/- 0.56  10.665% *  0.0353% (0.20   1.0   0.02   0.02) =   0.005%
          HN    LEU   40 - HA    ILE  103  12.53 +/- 3.99   2.145% *  0.0330% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.92, residual support = 38.6:
      O   HN    THR   39 - HB    THR   39   2.89 +/- 0.52  77.363% * 99.0111% (0.97  10.0   3.93  38.68) =  99.814%  kept
          HN    GLU-  36 - HB    THR   39   7.35 +/- 1.55  18.551% *  0.7559% (0.90   1.0   0.16   1.33) =   0.183%  kept
          HN    LYS+ 102 - HB    THR   39  13.37 +/- 5.60   3.155% *  0.0745% (0.73   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HB    THR   39  15.35 +/- 3.01   0.677% *  0.0422% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  25.79 +/- 5.37   0.146% *  0.1006% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  26.72 +/- 2.97   0.108% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 24.7:
          HN    LEU   40 - HB    THR   39   3.29 +/- 1.03  92.181% * 99.9150% (0.98   4.20  24.67) =  99.993%  kept
          HN    GLY  101 - HB    THR   39  12.35 +/- 6.32   7.819% *  0.0850% (0.18   0.02   0.02) =   0.007%
    Distance limit 3.94 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.582, support = 0.127, residual support = 0.119:
          HN    LEU   71 - QG2   THR   39   5.58 +/- 1.91  45.836% * 43.1989% (0.60   0.14   0.13) =  90.211%  kept
          HN    THR  118 - QG2   THR   39  15.35 +/- 3.87  10.220% *  5.1485% (0.49   0.02   0.02) =   2.397%  kept
          HN    GLU- 114 - QB    ALA   91  14.07 +/- 1.90   6.722% *  4.2092% (0.40   0.02   0.02) =   1.289%  kept
          HN    GLN  116 - QG2   THR   39  17.56 +/- 3.21   3.021% *  7.5958% (0.72   0.02   0.02) =   1.046%  kept
          HN    GLU- 114 - QG2   THR   39  19.42 +/- 2.87   1.962% *  8.9138% (0.85   0.02   0.02) =   0.797%  kept
          HN    PHE   60 - QG2   THR   39  14.95 +/- 1.82   4.504% *  3.1020% (0.30   0.02   0.02) =   0.637%  kept
          HN    LEU   71 - QG2   THR   23  15.55 +/- 1.82   3.600% *  3.5052% (0.33   0.02   0.02) =   0.575%  kept
          HN    GLN  116 - QB    ALA   91  14.79 +/- 1.27   3.491% *  3.5869% (0.34   0.02   0.02) =   0.570%  kept
          HN    THR  118 - QG2   THR   23  21.37 +/- 4.90   3.778% *  2.8891% (0.28   0.02   0.02) =   0.497%  kept
          HN    GLN  116 - QG2   THR   23  22.09 +/- 4.45   2.392% *  4.2623% (0.41   0.02   0.02) =   0.464%  kept
          HN    GLU- 114 - QG2   THR   23  23.39 +/- 4.38   1.722% *  5.0019% (0.48   0.02   0.02) =   0.393%  kept
          HN    PHE   60 - QB    ALA   91  12.15 +/- 1.32   5.056% *  1.4648% (0.14   0.02   0.02) =   0.337%  kept
          HN    THR  118 - QB    ALA   91  16.07 +/- 1.26   2.605% *  2.4312% (0.23   0.02   0.02) =   0.289%  kept
          HN    PHE   60 - QG2   THR   23  17.81 +/- 3.10   3.370% *  1.7407% (0.17   0.02   0.02) =   0.267%  kept
          HN    LEU   71 - QB    ALA   91  18.63 +/- 2.24   1.720% *  2.9498% (0.28   0.02   0.02) =   0.231%  kept
    Distance limit 3.49 A violated in 10 structures by 1.82 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 = 4.13, residual support = 24.7:
          HN    LEU   40 - QG2   THR   39   2.91 +/- 0.82  98.554% * 99.5018% (0.66   4.13  24.67) =  99.996%  kept
          HN    LEU   40 - QG2   THR   23  16.78 +/- 1.90   1.021% *  0.2705% (0.37   0.02   0.02) =   0.003%
          HN    LEU   40 - QB    ALA   91  20.08 +/- 1.97   0.425% *  0.2277% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.584, support = 3.61, residual support = 16.7:
      O   HN    ALA   91 - QB    ALA   91   2.47 +/- 0.25  41.200% * 87.6708% (0.61  10.0   3.61  14.50) =  90.533%  kept
          HN    THR   39 - QG2   THR   39   2.71 +/- 0.65  35.907% * 10.2082% (0.38   1.0   3.74  38.68) =   9.187%  kept
          HN    TRP   27 - QG2   THR   23   4.84 +/- 0.88   8.162% *  0.6846% (0.10   1.0   0.98   1.24) =   0.140%  kept
          HN    GLU-  36 - QG2   THR   39   6.42 +/- 1.59   8.843% *  0.5996% (0.18   1.0   0.47   1.33) =   0.133%  kept
          HD1   TRP   87 - QB    ALA   91   9.12 +/- 0.96   1.022% *  0.1105% (0.76   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - QG2   THR   39  12.72 +/- 2.77   0.613% *  0.0630% (0.44   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA   91  12.18 +/- 1.46   0.436% *  0.0760% (0.53   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QB    ALA   91  18.24 +/- 2.99   0.193% *  0.1334% (0.92   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - QB    ALA   91  11.19 +/- 1.28   0.532% *  0.0360% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  11.42 +/- 4.86   0.862% *  0.0152% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.73 +/- 2.09   0.281% *  0.0359% (0.25   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.16 +/- 2.02   0.068% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  21.94 +/- 4.90   0.149% *  0.0522% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  22.57 +/- 3.05   0.082% *  0.0414% (0.29   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  19.70 +/- 6.36   0.268% *  0.0116% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.90 +/- 2.34   0.055% *  0.0542% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.62 +/- 2.09   0.089% *  0.0322% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.75 +/- 3.03   0.257% *  0.0080% (0.06   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  23.46 +/- 5.87   0.118% *  0.0170% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.67 +/- 1.66   0.156% *  0.0122% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  19.85 +/- 3.76   0.169% *  0.0092% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.70 +/- 0.97   0.174% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.43 +/- 5.63   0.234% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  22.14 +/- 6.21   0.131% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 3.65, residual support = 14.6:
          HN    MET   92 - QB    ALA   91   2.70 +/- 0.60  73.465% * 97.0694% (0.87   3.65  14.58) =  99.845%  kept
          HN    THR   46 - QB    ALA   91   6.19 +/- 1.81  14.917% *  0.6006% (0.98   0.02   0.02) =   0.125%  kept
          HN    LYS+  74 - QB    ALA   91  13.76 +/- 2.30   1.447% *  0.5315% (0.87   0.02   0.02) =   0.011%
          HN    LYS+  74 - QG2   THR   39  11.51 +/- 2.28   2.348% *  0.2510% (0.41   0.02   0.02) =   0.008%
          HN    LYS+ 112 - QB    ALA   91  12.59 +/- 2.29   1.101% *  0.2090% (0.34   0.02   0.02) =   0.003%
          HN    LYS+  74 - QG2   THR   23  10.68 +/- 3.41   2.463% *  0.0559% (0.09   0.02   0.02) =   0.002%
          HN    THR   46 - QG2   THR   39  17.46 +/- 1.25   0.375% *  0.2836% (0.46   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   39  21.11 +/- 2.70   0.295% *  0.2510% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   39  17.17 +/- 3.04   0.461% *  0.1522% (0.25   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  20.59 +/- 5.44   1.533% *  0.0339% (0.06   0.02   0.02) =   0.001%
          HN    THR   46 - QG2   THR   23  16.45 +/- 3.34   0.585% *  0.0631% (0.10   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  31.12 +/- 4.92   0.080% *  0.3224% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  20.95 +/- 2.67   0.244% *  0.0987% (0.16   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  19.33 +/- 2.87   0.348% *  0.0559% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  23.45 +/- 4.16   0.339% *  0.0220% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.653, support = 5.13, residual support = 79.3:
          HA    LEU   40 - QD2   LEU   40   2.81 +/- 0.68  55.227% * 58.9777% (0.61   5.95 101.49) =  76.242%  kept
          HA    LYS+  99 - QD2   LEU   40   6.57 +/- 5.43  29.523% * 33.4521% (0.80   2.56   8.53) =  23.118%  kept
          HA    LEU  123 - QD2   LEU   40  11.38 +/- 5.58   3.850% *  6.3982% (0.99   0.40   0.02) =   0.577%  kept
          HA    ASN   35 - QD2   LEU   40   8.44 +/- 1.67   5.763% *  0.3015% (0.92   0.02   0.02) =   0.041%
          HA    ILE   56 - QD2   LEU   40  13.91 +/- 2.00   1.248% *  0.3090% (0.95   0.02   0.02) =   0.009%
          HA    PRO   58 - QD2   LEU   40  12.94 +/- 2.04   2.093% *  0.1465% (0.45   0.02   0.02) =   0.007%
          HA    ASP- 113 - QD2   LEU   40  15.17 +/- 2.53   0.891% *  0.1465% (0.45   0.02   0.02) =   0.003%
          HA    GLU-  15 - QD2   LEU   40  12.18 +/- 2.68   0.910% *  0.1343% (0.41   0.02   0.02) =   0.003%
          HA    SER   13 - QD2   LEU   40  15.94 +/- 2.06   0.495% *  0.1343% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.02 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.976, support = 4.46, residual support = 99.0:
          HA    LEU   40 - QD1   LEU   40   3.68 +/- 0.51  41.886% * 89.9617% (0.99   4.57 101.49) =  97.480%  kept
          HA    LYS+  99 - QD1   LEU   40   7.86 +/- 5.26  16.842% *  2.5040% (0.31   0.41   8.53) =   1.091%  kept
          HA    LEU  123 - QD1   LEU   40  10.54 +/- 5.48   7.970% *  4.6128% (0.61   0.38   0.02) =   0.951%  kept
          HA    SER   37 - QD1   LEU   40   9.37 +/- 2.23  10.485% *  1.1993% (0.31   0.20   0.71) =   0.325%  kept
          HA    PRO   58 - QD1   LEU   40  12.00 +/- 2.32   8.024% *  0.3667% (0.92   0.02   0.02) =   0.076%
          HA    ASN   35 - QD1   LEU   40   9.22 +/- 1.90   5.077% *  0.1781% (0.45   0.02   0.02) =   0.023%
          HA    GLU-  15 - QD1   LEU   40  11.35 +/- 2.73   2.198% *  0.3562% (0.90   0.02   0.02) =   0.020%
          HA    ILE   56 - QD1   LEU   40  13.33 +/- 2.30   2.404% *  0.1933% (0.49   0.02   0.02) =   0.012%
          HA    GLN   17 - QD1   LEU   40  10.16 +/- 3.16   3.685% *  0.1226% (0.31   0.02   0.02) =   0.012%
          HA    SER   13 - QD1   LEU   40  15.35 +/- 1.25   0.625% *  0.3562% (0.90   0.02   0.02) =   0.006%
          HA    THR   46 - QD1   LEU   40  14.36 +/- 1.15   0.804% *  0.1491% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.68, support = 0.602, residual support = 3.02:
        T HB3   HIS  122 - QD1   LEU   40   7.75 +/- 5.60  40.094% * 96.4115% (0.69 10.00   0.61   3.08) =  98.058%  kept
          QE    LYS+ 121 - QD1   LEU   40   9.25 +/- 3.61  23.529% *  3.0213% (0.34  1.00   0.38   0.02) =   1.803%  kept
          HB3   ASP-  78 - QD1   LEU   40  17.81 +/- 2.18   7.710% *  0.4149% (0.90  1.00   0.02   0.02) =   0.081%
          QE    LYS+  74 - QD1   LEU   40  10.16 +/- 1.27  21.450% *  0.0810% (0.18  1.00   0.02   0.02) =   0.044%
          QB    CYS   50 - QD1   LEU   40  15.53 +/- 1.97   7.217% *  0.0714% (0.15  1.00   0.02   0.02) =   0.013%
    Distance limit 3.85 A violated in 8 structures by 2.94 A, kept.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.905, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QD1   LEU   40   8.31 +/- 2.28  43.308% * 23.0961% (0.84   0.02   0.02) =  40.267%  kept
          HE21  GLN   30 - QD1   LEU   40   9.55 +/- 1.48  31.340% * 27.6510% (1.00   0.02   0.02) =  34.887%  kept
          HD1   TRP   27 - QD1   LEU   40  13.31 +/- 2.48  15.010% * 23.0961% (0.84   0.02   0.02) =  13.956%  kept
          HH2   TRP   49 - QD1   LEU   40  17.31 +/- 4.04  10.342% * 26.1568% (0.95   0.02   0.02) =  10.890%  kept
    Distance limit 3.89 A violated in 17 structures by 3.36 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.908, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QD2   LEU   40   8.88 +/- 2.05  42.451% * 23.0961% (0.84   0.02   0.02) =  39.344%  kept
          HE21  GLN   30 - QD2   LEU   40   9.96 +/- 2.05  31.043% * 27.6510% (1.00   0.02   0.02) =  34.445%  kept
          HH2   TRP   49 - QD2   LEU   40  17.58 +/- 3.96  13.390% * 26.1568% (0.95   0.02   0.02) =  14.055%  kept
          HD1   TRP   27 - QD2   LEU   40  13.52 +/- 2.32  13.115% * 23.0961% (0.84   0.02   0.02) =  12.156%  kept
    Distance limit 3.70 A violated in 19 structures by 3.94 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.64, residual support = 20.5:
          HN    VAL   41 - QD2   LEU   40   3.22 +/- 0.78 100.000% *100.0000% (0.73   4.64  20.55) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.63, residual support = 9.04:
          HN    LEU   98 - QD2   LEU   40   5.83 +/- 4.40 100.000% *100.0000% (0.97   4.63   9.04) = 100.000%  kept
    Distance limit 3.66 A violated in 7 structures by 2.57 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.76, residual support = 101.5:
      O   HN    LEU   40 - HB3   LEU   40   2.68 +/- 0.47  93.642% * 99.9683% (0.98  10.0   4.76 101.49) =  99.999%  kept
          HN    GLY  101 - HB3   LEU   40  12.09 +/- 6.47   4.531% *  0.0179% (0.18   1.0   0.02   0.02) =   0.001%
          HN    LEU   40 - HB3   LEU  115  16.79 +/- 3.73   1.556% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.79 +/- 2.02   0.271% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.86, residual support = 101.5:
      O   HN    LEU   40 - HB2   LEU   40   2.86 +/- 0.50  94.011% * 99.9908% (0.76  10.0   4.86 101.49) =  99.999%  kept
          HN    LEU   40 - HB2   LEU   67   9.06 +/- 1.82   5.989% *  0.0092% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.98, residual support = 33.8:
          QG2   VAL   70 - HB2   LEU   40   4.34 +/- 1.04  44.986% * 99.9538% (0.80   3.99  33.77) =  99.943%  kept
          QG2   VAL   70 - HB2   LEU   67   4.05 +/- 0.94  55.014% *  0.0462% (0.07   0.02   0.34) =   0.057%
    Distance limit 3.64 A violated in 3 structures by 0.85 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 33.8:
        T QG2   VAL   70 - HB3   LEU   40   3.75 +/- 1.04  87.740% * 99.8828% (0.98 10.00   3.99  33.77) =  99.984%  kept
        T QG2   VAL   70 - HB3   LEU  115  11.01 +/- 2.37  12.260% *  0.1172% (0.12 10.00   0.02   0.02) =   0.016%
    Distance limit 3.78 A violated in 1 structures by 0.36 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.235, support = 4.8, residual support = 90.1:
      O T HA    LEU   40 - HG    LEU   40   3.24 +/- 0.40  35.257% * 66.5754% (0.18  10.0 10.00   5.35 101.49) =  88.320%  kept
          HA    ASP- 113 - HG    LEU  115   5.71 +/- 1.31  11.656% * 10.0773% (0.53   1.0  1.00   0.99   0.02) =   4.420%  kept
          HA    LYS+  99 - HG    LEU   40   8.23 +/- 5.77  11.968% *  9.6909% (0.98   1.0  1.00   0.52   8.53) =   4.364%  kept
          HA    ILE   56 - HG    LEU  115   6.19 +/- 2.15  11.652% *  5.0373% (0.50   1.0  1.00   0.53   0.02) =   2.208%  kept
          HA    PHE   59 - HG    LEU  115   6.92 +/- 1.79   8.202% *  1.0150% (0.20   1.0  1.00   0.27  28.63) =   0.313%  kept
        T HA    ASN   35 - HG    LEU   40  10.29 +/- 1.59   2.057% *  3.4093% (0.90   1.0 10.00   0.02   0.02) =   0.264%  kept
          HA    PHE   59 - HG    LEU   40  12.26 +/- 2.77   9.100% *  0.1297% (0.34   1.0  1.00   0.02   0.02) =   0.044%
          HA    LEU  123 - HG    LEU   40  13.65 +/- 6.09   1.873% *  0.2905% (0.76   1.0  1.00   0.02   0.02) =   0.020%
        T HA    LEU   40 - HG    LEU  115  16.72 +/- 4.13   0.744% *  0.3854% (0.10   1.0 10.00   0.02   0.02) =   0.011%
        T HA    ASN   35 - HG    LEU  115  22.73 +/- 3.93   0.145% *  1.9739% (0.52   1.0 10.00   0.02   0.02) =   0.011%
          HA    ILE   56 - HG    LEU   40  16.34 +/- 2.79   0.490% *  0.3298% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASP- 113 - HG    LEU   40  18.23 +/- 3.20   0.355% *  0.3509% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - HG    LEU  115  14.09 +/- 1.29   0.464% *  0.1682% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HG    LEU   73  13.22 +/- 3.05   0.993% *  0.0636% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU   73  14.45 +/- 4.25   0.800% *  0.0695% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  115  18.85 +/- 2.10   0.215% *  0.2157% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG    LEU   73  17.02 +/- 3.69   0.511% *  0.0615% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HG    LEU   73  14.27 +/- 3.51   1.250% *  0.0242% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU   73  11.50 +/- 2.76   1.779% *  0.0124% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HG    LEU   73  21.26 +/- 4.60   0.227% *  0.0654% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  19.31 +/- 3.70   0.262% *  0.0542% (0.14   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.961, support = 5.55, residual support = 33.0:
        T QG2   VAL   70 - HG    LEU   40   3.40 +/- 0.81  84.416% * 83.8767% (0.98 10.00   5.63  33.77) =  97.644%  kept
        T QG2   VAL   70 - HG    LEU   73   7.92 +/- 0.95  10.776% * 15.6376% (0.18 10.00   2.36   0.82) =   2.324%  kept
        T QG2   VAL   70 - HG    LEU  115  11.93 +/- 2.48   4.808% *  0.4856% (0.57 10.00   0.02   0.02) =   0.032%
    Distance limit 3.53 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.19, residual support = 33.8:
          QG2   VAL   70 - QD1   LEU   40   2.36 +/- 0.86 100.000% *100.0000% (0.80   4.19  33.77) = 100.000%  kept
    Distance limit 2.98 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.36, residual support = 33.8:
          QG2   VAL   70 - QD2   LEU   40   3.41 +/- 0.86 100.000% *100.0000% (0.53   4.36  33.77) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.41 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   9.64 +/- 1.67 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.67 A violated in 20 structures by 6.96 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.738, support = 4.72, residual support = 101.4:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  63.445% * 41.1988% (0.65  10.0 10.00   4.16 101.49) =  63.386%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.94 +/- 0.32  26.404% * 57.1155% (0.90  10.0  1.00   5.71 101.49) =  36.571%  kept
        T HG    LEU   73 - QD2   LEU   40   9.77 +/- 2.11   1.192% *  0.7022% (0.20   1.0 10.00   0.11   0.02) =   0.020%
        T HG    LEU  115 - QD2   LEU   40  12.23 +/- 2.81   0.749% *  0.6354% (1.00   1.0 10.00   0.02   0.02) =   0.012%
          HG    LEU   67 - QD2   LEU   40   7.51 +/- 1.86   3.621% *  0.0487% (0.76   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   LYS+  74 - QD2   LEU   40  11.65 +/- 2.49   0.948% *  0.1771% (0.28   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD2   LEU   40  10.02 +/- 3.36   1.195% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - QD2   LEU   40  11.11 +/- 2.82   1.272% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD2   LEU   40  11.63 +/- 5.05   1.172% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.256, support = 2.08, residual support = 8.48:
        T HB2   LYS+  99 - QD2   LEU   40   7.02 +/- 5.59  31.083% * 56.7491% (0.28 10.00   2.24   8.53) =  59.194%  kept
        T HB3   LYS+  99 - QD2   LEU   40   7.22 +/- 5.66  28.421% * 42.2399% (0.22 10.00   1.86   8.53) =  40.287%  kept
          HB    VAL   43 - QD2   LEU   40   8.81 +/- 1.20  18.215% *  0.7927% (0.38  1.00   0.21   0.02) =   0.485%  kept
          QG1   ILE   56 - QD2   LEU   40  11.03 +/- 1.70  17.392% *  0.0315% (0.15  1.00   0.02   0.02) =   0.018%
          HB    ILE   89 - QD2   LEU   40  18.44 +/- 3.15   3.046% *  0.1238% (0.61  1.00   0.02   0.02) =   0.013%
          QD    LYS+  81 - QD2   LEU   40  19.08 +/- 3.30   1.843% *  0.0630% (0.31  1.00   0.02   0.02) =   0.004%
    Distance limit 3.12 A violated in 7 structures by 2.05 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.31, support = 1.49, residual support = 3.04:
          HB2   HIS  122 - QD2   LEU   40   8.10 +/- 5.74  46.983% * 94.8534% (0.31   1.51   3.08) =  98.592%  kept
          HA    LEU   63 - QD2   LEU   40   8.64 +/- 1.49  35.992% *  0.7112% (0.18   0.02   0.02) =   0.566%  kept
          HA    LYS+ 112 - QD2   LEU   40  14.13 +/- 2.30  10.180% *  2.2990% (0.57   0.02   0.02) =   0.518%  kept
          HB2   HIS   22 - QD2   LEU   40  17.40 +/- 2.57   6.844% *  2.1364% (0.53   0.02   0.02) =   0.323%  kept
    Distance limit 3.65 A violated in 10 structures by 2.01 A, kept.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.72, support = 2.57, residual support = 7.44:
          QE    LYS+  99 - QD2   LEU   40   6.61 +/- 5.31  49.769% * 81.1200% (0.69   2.92   8.53) =  85.910%  kept
          QE    LYS+  38 - QD2   LEU   40   7.13 +/- 2.24  36.005% * 18.0707% (0.92   0.48   0.82) =  13.845%  kept
          QE    LYS+ 102 - QD2   LEU   40  11.08 +/- 3.92  14.226% *  0.8093% (1.00   0.02   0.02) =   0.245%  kept
    Distance limit 4.08 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.841, support = 1.08, residual support = 1.24:
        T HB3   PHE   97 - QD2   LEU   40   6.94 +/- 3.59  36.608% * 90.9364% (0.84 10.00   1.09   1.30) =  95.119%  kept
          HB2   GLU- 100 - QD2   LEU   40  10.19 +/- 5.54  19.248% *  8.6040% (0.99  1.00   0.87   0.02) =   4.732%  kept
          HB2   GLN  116 - QD2   LEU   40  13.68 +/- 3.04  15.542% *  0.1883% (0.95  1.00   0.02   0.02) =   0.084%
          HB2   PRO   58 - QD2   LEU   40  13.77 +/- 2.03  11.583% *  0.0747% (0.38  1.00   0.02   0.02) =   0.025%
          QG    GLN   32 - QD2   LEU   40  11.57 +/- 2.15  12.540% *  0.0679% (0.34  1.00   0.02   0.02) =   0.024%
          QG    GLU-  79 - QD2   LEU   40  15.38 +/- 2.60   4.479% *  0.1287% (0.65  1.00   0.02   0.02) =   0.016%
    Distance limit 4.36 A violated in 7 structures by 2.41 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 101.4:
      O T HB2   LEU   40 - QD1   LEU   40   2.71 +/- 0.37  79.062% * 99.2435% (0.84  10.0 10.00   4.44 101.49) =  99.912%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.09 +/- 1.54  13.078% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.081%
          HB    VAL   18 - QD1   LEU   40   9.93 +/- 3.24   2.968% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   MET   96 - QD1   LEU   40   9.53 +/- 1.97   3.632% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD1   LEU   40  17.03 +/- 2.26   0.428% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD1   LEU   40  13.32 +/- 2.12   0.831% *  0.0235% (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 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 5.43, residual support = 101.3:
      O   HB2   LEU   40 - QD2   LEU   40   2.43 +/- 0.40  86.645% * 96.6350% (0.34  10.0  1.00   5.44 101.49) =  99.826%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.49 +/- 1.20   5.033% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.152%  kept
          HB    VAL   18 - QD2   LEU   40  11.12 +/- 3.31   4.293% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.014%
          HB2   LEU  115 - QD2   LEU   40  11.62 +/- 2.48   2.991% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          HG3   PRO   58 - QD2   LEU   40  14.96 +/- 2.03   0.758% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD2   LEU   40  17.76 +/- 2.19   0.280% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.779, support = 3.97, residual support = 101.4:
      O T HB3   LEU   40 - QD1   LEU   40   2.31 +/- 0.34  38.935% * 57.4671% (0.90  10.0 10.00   3.60 101.49) =  53.109%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.02  47.554% * 41.4524% (0.65  10.0  1.00   4.40 101.49) =  46.789%  kept
        T HG    LEU   67 - QD1   LEU   40   6.24 +/- 2.05   6.224% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.072%
        T HB3   LEU  115 - QD1   LEU   40  10.99 +/- 2.82   2.530% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.025%
          HG    LEU  115 - QD1   LEU   40  11.96 +/- 2.93   1.264% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD1   LEU   40   9.79 +/- 3.10   0.986% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   LEU   40   9.29 +/- 2.16   1.261% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  13.01 +/- 4.78   0.631% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  10.80 +/- 2.24   0.614% *  0.0178% (0.28   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 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.934, support = 4.43, residual support = 98.5:
      O T QD1   LEU   40 - HB2   LEU   40   2.71 +/- 0.37  44.308% * 92.1745% (1.00  10.0 10.00   4.44 101.49) =  92.768%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.77 +/- 0.36  41.628% *  7.6201% (0.08  10.0  1.00   4.26  60.58) =   7.205%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.09 +/- 1.54   6.776% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.013%
          QD2   LEU   67 - HB2   LEU   40   8.24 +/- 2.25   6.915% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.013%
          QG1   VAL  108 - HB2   LEU   40  17.07 +/- 1.56   0.193% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.71 +/- 2.37   0.180% *  0.0032% (0.03   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 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 101.5:
      O T QD1   LEU   40 - HB3   LEU   40   2.31 +/- 0.34  74.482% * 99.7412% (1.00  10.0 10.00   3.60 101.49) =  99.970%  kept
          QD2   LEU   67 - HB3   LEU   40   7.61 +/- 2.19  17.039% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.021%
        T QD1   LEU   40 - HB3   LEU  115  10.99 +/- 2.82   5.830% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   67 - HB3   LEU  115  12.70 +/- 2.35   1.113% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.99 +/- 1.60   0.248% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.73 +/- 1.75   1.287% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.865, support = 4.14, residual support = 101.0:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  56.828% * 89.3883% (0.87  10.0 10.00   4.16 101.49) =  99.551%  kept
          QD1   ILE  119 - HG    LEU  115   5.41 +/- 1.47   9.957% *  0.8362% (0.10   1.0  1.00   1.60   8.46) =   0.163%  kept
        T QD1   LEU   67 - HG    LEU   73   8.86 +/- 1.51   1.098% *  6.3906% (0.16   1.0 10.00   0.80   0.02) =   0.138%  kept
        T QD1   LEU   67 - HG    LEU   40   6.52 +/- 1.78   7.071% *  0.8607% (0.84   1.0 10.00   0.02   0.02) =   0.119%  kept
        T QD2   LEU   40 - HG    LEU  115  12.23 +/- 2.81   0.713% *  0.5175% (0.50   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  74 - HG    LEU   40  14.23 +/- 2.85   0.333% *  0.6250% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   40 - HG    LEU   73   9.77 +/- 2.11   1.121% *  0.1667% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   75 - HG    LEU   40  11.52 +/- 2.32   2.033% *  0.0894% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   67 - HG    LEU  115  12.62 +/- 2.11   0.360% *  0.4983% (0.48   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   71 - HG    LEU   40   6.42 +/- 1.86   4.821% *  0.0180% (0.18   1.0  1.00   0.02   1.60) =   0.002%
          QG2   ILE  103 - HG    LEU   40   9.90 +/- 2.48   0.951% *  0.0748% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - HG    LEU  115  17.62 +/- 3.40   0.137% *  0.3619% (0.35   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.50 +/- 1.35   2.060% *  0.0167% (0.16   1.0  1.00   0.02   2.05) =   0.001%
          QD2   LEU   71 - HG    LEU   73   8.03 +/- 1.88   8.040% *  0.0034% (0.03   1.0  1.00   0.02   1.19) =   0.001%
          QD1   ILE  119 - HG    LEU   40  10.51 +/- 3.43   1.212% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.16 +/- 1.26   1.338% *  0.0117% (0.11   1.0  1.00   0.02  42.84) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.79 +/- 2.34   0.330% *  0.0433% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  14.22 +/- 2.68   0.257% *  0.0518% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  13.52 +/- 3.05   0.306% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  14.91 +/- 2.72   0.307% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.31 +/- 3.47   0.728% *  0.0034% (0.03   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 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.863, support = 3.9, residual support = 72.5:
      O T QG2   VAL   41 - QG1   VAL   41   2.05 +/- 0.05  50.726% * 93.3750% (0.87  10.0 10.00   3.95  73.47) =  98.157%  kept
          QD2   LEU   98 - QG1   VAL   41   4.65 +/- 2.97  20.032% *  4.2114% (0.69   1.0  1.00   1.14  22.81) =   1.748%  kept
        T QD1   LEU   73 - QG1   VAL   41   6.95 +/- 2.41   4.284% *  0.3322% (0.31   1.0 10.00   0.02   0.02) =   0.029%
        T QG2   VAL   41 - QG2   VAL   18   9.52 +/- 3.50   1.501% *  0.7136% (0.66   1.0 10.00   0.02   0.02) =   0.022%
        T QD1   LEU   73 - QG2   VAL   18   8.00 +/- 2.95   2.941% *  0.2539% (0.24   1.0 10.00   0.02   0.21) =   0.015%
        T QD1   LEU   63 - QG1   VAL   41   8.46 +/- 1.63   0.973% *  0.3322% (0.31   1.0 10.00   0.02   0.02) =   0.007%
        T QD1   LEU   63 - QG2   VAL   18   8.28 +/- 1.86   1.116% *  0.2539% (0.24   1.0 10.00   0.02   0.02) =   0.006%
        T QD2   LEU   98 - QD2   LEU  104   5.15 +/- 0.76   4.181% *  0.0397% (0.04   1.0 10.00   0.02   9.41) =   0.003%
        T QG2   VAL   41 - QD2   LEU  104   6.88 +/- 1.73   2.273% *  0.0502% (0.05   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QG1   VAL   41   8.44 +/- 2.09   1.171% *  0.0965% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - QG2   VAL   18   8.08 +/- 2.49   1.511% *  0.0738% (0.69   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - QD2   LEU  104   9.69 +/- 2.90   5.055% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   98 - QG2   VAL   18  11.91 +/- 3.33   0.529% *  0.0565% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG1   VAL   41  13.03 +/- 3.24   0.374% *  0.0739% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - QG2   VAL   18  14.45 +/- 6.32   0.414% *  0.0565% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.92 +/- 3.27   0.896% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.98 +/- 3.08   1.846% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.36 +/- 3.19   0.176% *  0.0397% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.195, support = 1.33, residual support = 7.21:
          QB    ALA   34 - QG2   VAL   41   4.25 +/- 2.53  50.983% * 52.4742% (0.18   1.48   8.25) =  87.355%  kept
          HG2   LYS+  99 - QG2   VAL   41   8.59 +/- 3.02  18.196% * 14.6681% (0.20   0.37   0.02) =   8.715%  kept
          QB    ALA   88 - QG2   VAL   41  16.28 +/- 3.55   2.453% * 26.1019% (0.61   0.21   0.02) =   2.091%  kept
          QG2   THR   77 - QG2   VAL   41  10.94 +/- 1.49   8.222% *  3.8215% (0.95   0.02   0.02) =   1.026%  kept
          HG2   LYS+  38 - QG2   VAL   41   8.36 +/- 1.27  16.823% *  1.1232% (0.28   0.02   0.02) =   0.617%  kept
          QG2   THR   23 - QG2   VAL   41  12.07 +/- 2.73   3.323% *  1.8112% (0.45   0.02   0.02) =   0.196%  kept
    Distance limit 3.29 A violated in 5 structures by 0.93 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.343, support = 2.4, residual support = 22.6:
        T QB    LEU   98 - QG2   VAL   41   4.96 +/- 2.90  32.666% * 95.0747% (0.34 10.00   2.42  22.81) =  99.250%  kept
          HB3   LYS+  74 - QG2   VAL   41   9.57 +/- 2.82   9.726% *  0.9418% (0.61  1.00   0.11   0.02) =   0.293%  kept
        T HB2   LEU   80 - QG2   VAL   41  13.66 +/- 3.54   2.016% *  2.2318% (0.80 10.00   0.02   0.02) =   0.144%  kept
          HG12  ILE   19 - QG2   VAL   41   8.59 +/- 3.80  13.510% *  0.2781% (1.00  1.00   0.02   0.02) =   0.120%  kept
          QB    ALA   61 - QG2   VAL   41  11.06 +/- 1.93   7.593% *  0.2328% (0.84  1.00   0.02   0.02) =   0.056%
          HG    LEU   73 - QG2   VAL   41   7.12 +/- 3.20  19.007% *  0.0860% (0.31  1.00   0.02   0.02) =   0.052%
          HG    LEU   80 - QG2   VAL   41  13.76 +/- 4.06   2.487% *  0.2690% (0.97  1.00   0.02   0.02) =   0.021%
          HB3   LEU   67 - QG2   VAL   41   9.58 +/- 1.62   3.324% *  0.1915% (0.69  1.00   0.02   0.02) =   0.020%
          QG    LYS+  66 - QG2   VAL   41  12.50 +/- 2.05   3.755% *  0.1357% (0.49  1.00   0.02   0.02) =   0.016%
          QB    ALA  110 - QG2   VAL   41  14.77 +/- 1.81   1.308% *  0.2732% (0.98  1.00   0.02   0.02) =   0.011%
          HD3   LYS+ 121 - QG2   VAL   41  13.70 +/- 3.79   1.642% *  0.1803% (0.65  1.00   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - QG2   VAL   41  10.59 +/- 3.35   1.995% *  0.0621% (0.22  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  15.17 +/- 3.53   0.971% *  0.0430% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 4 structures by 0.82 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  11.54 +/- 1.14 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.08 A violated in 20 structures by 8.45 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.36, residual support = 73.5:
      O   HN    VAL   41 - HB    VAL   41   3.31 +/- 0.35 100.000% *100.0000% (0.47  10.0   4.36  73.47) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.932, support = 2.62, residual support = 22.1:
          HN    LEU   98 - QG1   VAL   41   5.96 +/- 2.50  35.976% * 96.3733% (0.98   2.68  22.81) =  94.792%  kept
          HN    LEU   98 - QD2   LEU  104   3.89 +/- 0.89  61.454% *  3.0768% (0.05   1.59   9.41) =   5.170%  kept
          HN    LEU   98 - QG2   VAL   18  13.68 +/- 3.70   2.570% *  0.5499% (0.75   0.02   0.02) =   0.039%
    Distance limit 3.84 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.551, support = 0.02, residual support = 0.0703:
          QD    PHE   60 - HB    VAL   41  10.80 +/- 1.55  36.957% * 34.1212% (0.66   0.02   0.12) =  51.408%  kept
          HN    LYS+  66 - HB    VAL   41  13.91 +/- 2.12  18.924% * 29.5320% (0.57   0.02   0.02) =  22.783%  kept
          QE    PHE   59 - HB    VAL   41  11.72 +/- 3.35  35.859% * 12.0603% (0.23   0.02   0.02) =  17.631%  kept
          HN    LYS+  81 - HB    VAL   41  19.29 +/- 3.62   8.260% * 24.2865% (0.47   0.02   0.02) =   8.178%  kept
    Distance limit 3.78 A violated in 20 structures by 5.39 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.27, residual support = 24.2:
      O   HN    VAL   42 - HA    VAL   41   2.27 +/- 0.08  80.998% * 98.7479% (0.98  10.0   5.28  24.24) =  99.769%  kept
          HN    LEU   73 - HA    VAL   41   6.26 +/- 2.48  15.843% *  1.1599% (0.98   1.0   0.23   0.02) =   0.229%  kept
          HN    ILE   19 - HA    VAL   41   9.70 +/- 4.71   2.761% *  0.0611% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  13.75 +/- 1.20   0.398% *  0.0311% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.0, residual support = 40.1:
      O   HN    VAL   43 - HA    VAL   42   2.24 +/- 0.06  99.745% * 99.9765% (0.90  10.0   5.00  40.09) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  17.45 +/- 2.07   0.255% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 0.681, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   5.94 +/- 2.78  59.735% * 16.0745% (0.34   0.02   0.02) =  36.763%  kept
          QG2   VAL   83 - QG2   VAL   41  11.80 +/- 4.06  24.622% * 37.7342% (0.80   0.02   0.02) =  35.572%  kept
          QD1   ILE   89 - QG2   VAL   41  13.11 +/- 4.01  15.643% * 46.1912% (0.98   0.02   0.02) =  27.665%  kept
    Distance limit 3.07 A violated in 9 structures by 2.26 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 = 0.777, support = 0.02, residual support = 18.9:
        T HB    VAL   41 - HB    VAL   42   5.41 +/- 0.41  28.392% * 26.8420% (0.84 10.00   0.02  24.24) =  78.112%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.98 +/- 2.74   3.072% * 17.9927% (0.56 10.00   0.02   0.02) =   5.666%  kept
        T HB    VAL   41 - HB2   LYS+ 112  20.08 +/- 3.91   1.813% * 18.9430% (0.59 10.00   0.02   0.02) =   3.521%  kept
          HG2   PRO   93 - HB2   LYS+ 112   9.60 +/- 3.14  10.911% *  1.7026% (0.53  1.00   0.02   0.02) =   1.904%  kept
          HB2   LEU   71 - HB    VAL   42   8.59 +/- 2.13  13.062% *  1.3538% (0.42  1.00   0.02   0.78) =   1.813%  kept
          HG12  ILE  103 - HB    VAL   42  10.26 +/- 2.42   5.958% *  2.4126% (0.75  1.00   0.02   0.02) =   1.473%  kept
          HG2   PRO   93 - HB    VAL   42  13.34 +/- 2.83   5.784% *  2.4126% (0.75  1.00   0.02   0.02) =   1.430%  kept
        T QB    LYS+ 102 - HB2   LYS+ 112  21.93 +/- 3.21   0.988% * 12.6979% (0.40 10.00   0.02   0.02) =   1.286%  kept
          QB    LYS+  66 - HB    VAL   42  10.99 +/- 1.71   4.146% *  2.7752% (0.87  1.00   0.02   0.02) =   1.179%  kept
          HB3   PRO   52 - HB2   LYS+ 112  10.38 +/- 3.19   7.707% *  1.1905% (0.37  1.00   0.02   0.02) =   0.940%  kept
          QB    LYS+  65 - HB    VAL   42  10.66 +/- 1.43   4.052% *  1.4633% (0.46  1.00   0.02   0.02) =   0.608%  kept
          HG    LEU  123 - HB    VAL   42  14.33 +/- 4.64   3.065% *  1.6870% (0.53  1.00   0.02   0.02) =   0.530%  kept
          HG    LEU  123 - HB2   LYS+ 112  14.44 +/- 3.15   3.413% *  1.1905% (0.37  1.00   0.02   0.02) =   0.416%  kept
          HG12  ILE  103 - HB2   LYS+ 112  19.68 +/- 3.28   1.839% *  1.7026% (0.53  1.00   0.02   0.02) =   0.321%  kept
          QB    LYS+  65 - HB2   LYS+ 112  14.68 +/- 2.15   3.028% *  1.0327% (0.32  1.00   0.02   0.02) =   0.321%  kept
          QB    LYS+  66 - HB2   LYS+ 112  15.89 +/- 2.33   1.499% *  1.9585% (0.61  1.00   0.02   0.02) =   0.301%  kept
          HB3   PRO   52 - HB    VAL   42  19.27 +/- 2.71   0.724% *  1.6870% (0.53  1.00   0.02   0.02) =   0.125%  kept
          HB2   LEU   71 - HB2   LYS+ 112  22.50 +/- 3.39   0.546% *  0.9554% (0.30  1.00   0.02   0.02) =   0.054%
    Distance limit 3.36 A violated in 16 structures by 1.51 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 4.98, residual support = 77.4:
          HN    VAL   42 - QG2   VAL   42   3.10 +/- 0.65  66.330% * 74.9313% (0.64   5.36  86.33) =  89.478%  kept
          HN    LEU   73 - QG2   VAL   42   6.13 +/- 2.27  23.556% * 24.7281% (0.64   1.77   1.04) =  10.487%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.94 +/- 1.95   6.142% *  0.2795% (0.64   0.02   0.02) =   0.031%
          HN    ILE   19 - QG2   VAL   42   9.73 +/- 2.51   3.972% *  0.0611% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.41 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.09, residual support = 40.1:
          HN    VAL   43 - QG2   VAL   42   3.69 +/- 0.32 100.000% *100.0000% (0.72   5.09  40.09) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.954, support = 3.97, residual support = 84.8:
      O T HA    VAL   42 - QG1   VAL   42   2.66 +/- 0.26  60.111% * 91.4895% (0.97  10.0 10.00   4.00  86.33) =  97.920%  kept
          HA    THR   46 - QB    ALA   47   3.86 +/- 0.10  20.877% *  5.4580% (0.44   1.0  1.00   2.63  11.64) =   2.029%  kept
        T HA    GLN   17 - QG1   VAL   42  11.72 +/- 3.82   1.363% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.013%
        T HA    PHE   55 - QB    ALA   47   9.75 +/- 0.98   1.400% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.011%
        T HA    VAL   42 - QB    ALA   47  13.40 +/- 1.87   0.657% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.009%
        T HA    PHE   55 - QG1   VAL   42  13.00 +/- 1.72   0.687% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLN   90 - QB    ALA   47   7.30 +/- 2.13   8.401% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLN   17 - QB    ALA   47  20.08 +/- 5.38   0.234% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG1   VAL   42   9.24 +/- 0.61   1.574% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  13.23 +/- 2.05   1.028% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  10.03 +/- 2.06   1.774% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QG1   VAL   42  11.62 +/- 2.20   1.200% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG1   VAL   42  14.53 +/- 2.46   0.596% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  23.63 +/- 2.22   0.098% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.877, support = 1.75, residual support = 4.38:
          QD    PHE   60 - QG1   VAL   42   4.42 +/- 1.29  40.468% * 87.1088% (0.93   1.88   4.82) =  90.890%  kept
          QE    PHE   59 - QG1   VAL   42   5.59 +/- 2.85  37.218% *  9.0753% (0.33   0.55   0.02) =   8.709%  kept
          QD    PHE   60 - QB    ALA   47   8.11 +/- 1.65   7.797% *  0.8021% (0.80   0.02   0.02) =   0.161%  kept
          HN    LYS+  66 - QG1   VAL   42   8.38 +/- 1.13   5.259% *  0.8039% (0.81   0.02   0.02) =   0.109%  kept
          HN    LYS+  81 - QB    ALA   47  12.40 +/- 3.37   4.707% *  0.5709% (0.57   0.02   0.02) =   0.069%
          HN    LYS+  66 - QB    ALA   47  14.25 +/- 2.95   1.547% *  0.6943% (0.70   0.02   0.02) =   0.028%
          HN    LYS+  81 - QG1   VAL   42  14.95 +/- 2.35   1.261% *  0.6611% (0.66   0.02   0.02) =   0.021%
          QE    PHE   59 - QB    ALA   47  11.56 +/- 1.10   1.744% *  0.2835% (0.28   0.02   0.02) =   0.013%
    Distance limit 3.10 A violated in 0 structures by 0.45 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 4.98, residual support = 76.8:
          HN    VAL   42 - QG1   VAL   42   3.54 +/- 0.33  51.293% * 80.8184% (0.77   5.45  86.33) =  88.767%  kept
          HN    LEU   73 - QG1   VAL   42   5.53 +/- 2.64  28.909% * 17.9967% (0.77   1.21   1.04) =  11.141%  kept
          HN    LYS+ 106 - QB    ALA   47  14.68 +/- 4.02   8.765% *  0.2559% (0.67   0.02   0.02) =   0.048%
          HN    LYS+ 106 - QG1   VAL   42   9.09 +/- 1.74   4.437% *  0.2963% (0.77   0.02   0.02) =   0.028%
          HN    ILE   19 - QG1   VAL   42   9.52 +/- 3.15   4.173% *  0.0648% (0.17   0.02   0.02) =   0.006%
          HN    VAL   42 - QB    ALA   47  14.21 +/- 1.36   0.973% *  0.2559% (0.67   0.02   0.02) =   0.005%
          HN    LEU   73 - QB    ALA   47  14.27 +/- 1.66   0.813% *  0.2559% (0.67   0.02   0.02) =   0.004%
          HN    ILE   19 - QB    ALA   47  17.86 +/- 4.77   0.637% *  0.0560% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.09, residual support = 40.1:
          HN    VAL   43 - QG1   VAL   42   2.69 +/- 0.57  96.209% * 99.3901% (0.40   5.09  40.09) =  99.990%  kept
          HN    VAL   43 - QB    ALA   47  12.00 +/- 1.73   1.985% *  0.3370% (0.34   0.02   0.02) =   0.007%
          HN    VAL   24 - QG1   VAL   42  13.54 +/- 2.45   1.069% *  0.1465% (0.15   0.02   0.02) =   0.002%
          HN    VAL   24 - QB    ALA   47  17.31 +/- 3.58   0.736% *  0.1265% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.419, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.60 +/- 2.46  74.517% * 53.6601% (0.43   0.02   0.02) =  77.201%  kept
          HN    LEU  104 - QB    ALA   47  16.93 +/- 3.73  25.483% * 46.3399% (0.37   0.02   0.02) =  22.799%  kept
    Distance limit 3.86 A violated in 20 structures by 4.45 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.73, residual support = 16.2:
          HN    TRP   49 - QB    ALA   47   2.61 +/- 0.33  92.365% * 95.0565% (0.29   3.73  16.17) =  99.917%  kept
          HD22  ASN   69 - QG1   VAL   42  10.21 +/- 2.35   3.325% *  1.0564% (0.61   0.02   0.02) =   0.040%
          HE22  GLN   30 - QG1   VAL   42   9.70 +/- 1.78   2.567% *  0.9184% (0.53   0.02   0.02) =   0.027%
          HD22  ASN   69 - QB    ALA   47  19.35 +/- 3.15   0.488% *  1.3793% (0.79   0.02   0.02) =   0.008%
          HE22  GLN   30 - QB    ALA   47  18.15 +/- 1.97   0.373% *  1.1991% (0.69   0.02   0.02) =   0.005%
          HN    TRP   49 - QG1   VAL   42  13.87 +/- 1.41   0.883% *  0.3904% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.48 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 = 2.29, residual support = 10.6:
      O   HN    ALA   47 - QB    ALA   47   2.31 +/- 0.14  72.805% * 91.7005% (0.39  10.0   2.32  10.81) =  97.718%  kept
          QD    PHE   95 - QG1   VAL   42   4.27 +/- 1.31  24.628% *  6.1829% (0.70   1.0   0.75   1.02) =   2.229%  kept
          QD    PHE   95 - QB    ALA   47   8.72 +/- 1.06   1.741% *  2.0464% (0.91   1.0   0.19   0.02) =   0.052%
          HN    ALA   47 - QG1   VAL   42  10.75 +/- 0.82   0.826% *  0.0702% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.604, support = 2.67, residual support = 22.2:
          HB    VAL   42 - QG1   VAL   43   5.51 +/- 0.64  14.795% * 42.4073% (0.62  1.00   4.65  40.09) =  42.809%  kept
        T HB3   LEU   73 - QG1   VAL   43   6.94 +/- 2.96  16.403% * 37.5379% (0.69 10.00   0.37   6.40) =  42.011%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.23 +/- 0.83  11.732% * 18.0961% (0.34  1.00   3.63  16.39) =  14.486%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.55 +/- 2.30  12.403% *  0.2514% (0.85  1.00   0.02   0.02) =   0.213%  kept
          HG    LEU   98 - QG1   VAL   43   5.93 +/- 1.40  15.496% *  0.1719% (0.58  1.00   0.02   0.02) =   0.182%  kept
          HB3   PRO   93 - QG1   VAL   43   8.97 +/- 2.09   8.125% *  0.2128% (0.72  1.00   0.02   0.02) =   0.118%  kept
          QB    ALA   84 - QG1   VAL   43  10.47 +/- 2.90   3.677% *  0.2031% (0.69  1.00   0.02   0.02) =   0.051%
          HG3   LYS+ 102 - QG1   VAL   43  11.62 +/- 1.83   1.966% *  0.2128% (0.72  1.00   0.02   0.02) =   0.029%
          HB2   LEU   63 - QG1   VAL   43   9.37 +/- 1.93   5.278% *  0.0739% (0.25  1.00   0.02   0.02) =   0.027%
          HG3   LYS+  33 - QG1   VAL   43  12.21 +/- 2.12   1.623% *  0.1612% (0.54  1.00   0.02   0.02) =   0.018%
          HB3   LEU   80 - QG1   VAL   43  10.56 +/- 3.43   4.849% *  0.0526% (0.18  1.00   0.02   0.02) =   0.017%
          HB2   LYS+ 112 - QG1   VAL   43  14.73 +/- 2.54   0.977% *  0.2305% (0.78  1.00   0.02   0.02) =   0.015%
          HG3   LYS+  65 - QG1   VAL   43  12.69 +/- 1.75   1.229% *  0.1825% (0.62  1.00   0.02   0.02) =   0.015%
          QB    ALA  124 - QG1   VAL   43  15.63 +/- 2.45   0.704% *  0.1398% (0.47  1.00   0.02   0.02) =   0.007%
          QB    ALA   12 - QG1   VAL   43  17.48 +/- 3.23   0.743% *  0.0663% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.37 A violated in 0 structures by 0.62 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.266, support = 1.36, residual support = 3.17:
        T HH2   TRP   27 - QG1   VAL   43   5.99 +/- 3.86  54.497% * 47.5869% (0.31 10.00   1.10   3.17) =  52.093%  kept
        T HZ3   TRP   27 - QG1   VAL   43   6.26 +/- 3.50  45.503% * 52.4131% (0.22 10.00   1.65   3.17) =  47.907%  kept
    Distance limit 3.03 A violated in 8 structures by 2.49 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.41, residual support = 61.5:
          HN    VAL   43 - QG1   VAL   43   2.44 +/- 0.68 100.000% *100.0000% (0.80   5.41  61.49) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.355, support = 3.58, residual support = 16.8:
          HN    ASP-  44 - QG2   VAL   43   3.35 +/- 0.44  47.779% * 70.4872% (0.39   3.89  16.39) =  82.014%  kept
          HN    ASN   28 - QD2   LEU   31   3.74 +/- 0.63  37.391% * 18.8676% (0.18   2.23  19.77) =  17.180%  kept
          HN    ASN   28 - QG2   VAL   43  10.91 +/- 3.65   3.230% *  8.9855% (0.63   0.30   0.02) =   0.707%  kept
          HN    ASP-  44 - QD2   LEU   31   9.69 +/- 1.98   2.852% *  0.9459% (0.11   0.18   0.02) =   0.066%
          HN    GLU-  25 - QG2   VAL   43  12.83 +/- 3.71   1.762% *  0.3365% (0.36   0.02   0.02) =   0.014%
          HN    GLU-  25 - QD2   LEU   31   7.50 +/- 0.63   4.431% *  0.0965% (0.10   0.02   0.02) =   0.010%
          HN    ASN   69 - QG2   VAL   43  12.73 +/- 1.71   1.120% *  0.2181% (0.23   0.02   0.02) =   0.006%
          HN    ASN   69 - QD2   LEU   31  13.62 +/- 2.47   1.434% *  0.0626% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.22, residual support = 61.5:
      O   HN    VAL   43 - HB    VAL   43   2.88 +/- 0.50 100.000% *100.0000% (0.87  10.0   4.22  61.49) = 100.000%  kept
    Distance limit 3.56 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 = 16.2:
          HN    MET   96 - HB    VAL   43   3.65 +/- 0.67 100.000% *100.0000% (0.51   1.50  16.20) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.59, residual support = 18.4:
        T QD    PHE   45 - HB3   ASP-  44   4.52 +/- 0.36 100.000% *100.0000% (0.80 10.00   4.59  18.44) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.62 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 39.7:
      O   HN    ASP-  44 - HB3   ASP-  44   3.27 +/- 0.43  98.107% * 99.8560% (0.98  10.0   3.97  39.73) =  99.999%  kept
          HN    GLU-  25 - HB3   ASP-  44  17.35 +/- 2.33   0.793% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  15.73 +/- 2.23   1.099% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.843, support = 1.38, residual support = 1.74:
        T HA    MET   92 - HB2   ASP-  44  10.06 +/- 2.51  28.253% * 82.6413% (0.80 10.00   1.08   0.38) =  65.214%  kept
          HA    LYS+  74 - HB2   ASP-  44   5.75 +/- 1.75  71.747% * 17.3587% (0.92  1.00   1.96   4.29) =  34.786%  kept
    Distance limit 4.06 A violated in 8 structures by 1.21 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.14, residual support = 39.7:
      O   HN    ASP-  44 - HB2   ASP-  44   2.91 +/- 0.41  98.582% * 99.8560% (0.98  10.0   3.14  39.73) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  17.34 +/- 1.93   0.593% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  15.62 +/- 1.76   0.825% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.9, residual support = 33.4:
      O   HN    ASP-  44 - HA    ASP-  44   2.88 +/- 0.06  33.921% * 81.9551% (0.80  10.0   3.83  39.73) =  70.418%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.31 +/- 0.07  65.151% * 17.9245% (0.18  10.0   4.07  18.44) =  29.581%  kept
          HN    ALA  110 - HA    ASP-  44  11.48 +/- 2.42   0.761% *  0.0349% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    ASP-  44  17.63 +/- 2.29   0.167% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 4.3:
          HA    PHE   95 - HA    ASP-  44   3.47 +/- 1.80 100.000% *100.0000% (0.87   2.00   4.30) = 100.000%  kept
    Distance limit 3.71 A violated in 3 structures by 0.63 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.7:
        T HB    THR   94 - HB2   PHE   45   2.92 +/- 0.86  77.772% * 98.9931% (0.65 10.00   2.96  27.69) =  99.975%  kept
          QB    SER   85 - HB2   PHE   45  12.39 +/- 3.10   4.602% *  0.1477% (0.97  1.00   0.02   0.02) =   0.009%
          QB    SER   48 - HB2   PHE   45   9.85 +/- 0.81   3.750% *  0.1169% (0.76  1.00   0.02   0.02) =   0.006%
          HA2   GLY   51 - HB2   PHE   45  13.84 +/- 1.90   2.250% *  0.0745% (0.49  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB2   PHE   45  11.55 +/- 1.94   2.910% *  0.0522% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB2   PHE   45  11.55 +/- 3.02   5.383% *  0.0268% (0.18  1.00   0.02   0.85) =   0.002%
          HA    LYS+  65 - HB2   PHE   45  14.96 +/- 2.76   0.897% *  0.1413% (0.92  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HB2   PHE   45  19.80 +/- 1.89   0.393% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  23.85 +/- 5.94   0.289% *  0.1477% (0.97  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   PHE   45  15.02 +/- 1.14   0.882% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  20.68 +/- 2.50   0.365% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  21.21 +/- 2.90   0.508% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.414, support = 2.21, residual support = 8.95:
          QG2   THR   77 - HB2   PHE   45   4.66 +/- 2.35  56.279% * 73.0190% (0.45   2.24  10.03) =  88.311%  kept
          QB    ALA   88 - HB2   PHE   45  10.10 +/- 2.94  22.370% * 23.6042% (0.15   2.10   0.85) =  11.347%  kept
          QG2   ILE   56 - HB2   PHE   45   8.03 +/- 2.25  15.991% *  0.6528% (0.45   0.02   0.02) =   0.224%  kept
          QB    ALA   34 - HB2   PHE   45  14.76 +/- 1.61   2.868% *  0.9419% (0.65   0.02   0.02) =   0.058%
          QG2   THR   23 - HB2   PHE   45  16.90 +/- 2.75   1.798% *  1.3773% (0.95   0.02   0.02) =   0.053%
          HG3   LYS+  38 - HB2   PHE   45  22.74 +/- 2.58   0.694% *  0.4048% (0.28   0.02   0.02) =   0.006%
    Distance limit 3.84 A violated in 2 structures by 0.54 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 1.16, residual support = 12.4:
        T QG2   ILE   89 - HB2   PHE   45   6.01 +/- 2.65  60.006% * 99.8717% (1.00 10.00   1.16  12.38) =  99.949%  kept
          QG1   VAL   83 - HB2   PHE   45   9.09 +/- 2.29  26.921% *  0.0980% (0.57  1.00   0.02   1.96) =   0.044%
          QD1   LEU  104 - HB2   PHE   45  14.44 +/- 2.01  13.073% *  0.0303% (0.18  1.00   0.02   0.02) =   0.007%
    Distance limit 3.79 A violated in 9 structures by 2.39 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 2.47, residual support = 7.81:
          QG2   THR   77 - HB3   PHE   45   4.00 +/- 3.01  62.007% * 55.1244% (0.87   2.66  10.03) =  75.860%  kept
          QB    ALA   88 - HB3   PHE   45   9.65 +/- 2.83  24.796% * 43.7818% (0.99   1.85   0.85) =  24.094%  kept
          HB3   LEU   80 - HB3   PHE   45  10.32 +/- 2.59   6.010% *  0.0944% (0.20   0.02   0.02) =   0.013%
          HG2   LYS+ 111 - HB3   PHE   45  15.05 +/- 2.30   2.605% *  0.1790% (0.38   0.02   0.02) =   0.010%
          HG2   LYS+  99 - HB3   PHE   45  20.06 +/- 2.17   1.339% *  0.3086% (0.65   0.02   0.02) =   0.009%
          HB2   LEU   31 - HB3   PHE   45  18.20 +/- 3.42   2.507% *  0.1472% (0.31   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HB3   PHE   45  22.65 +/- 2.63   0.736% *  0.3646% (0.76   0.02   0.02) =   0.006%
    Distance limit 3.52 A violated in 4 structures by 0.56 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.26, residual support = 12.4:
        T QG2   ILE   89 - HB3   PHE   45   5.64 +/- 2.47 100.000% *100.0000% (0.69 10.00   1.26  12.38) = 100.000%  kept
    Distance limit 3.65 A violated in 10 structures by 2.26 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.35, residual support = 79.8:
      O   QD    PHE   45 - HB2   PHE   45   2.62 +/- 0.12  98.931% * 99.6976% (0.65  10.0   4.35  79.82) =  99.999%  kept
          HD2   HIS  122 - HB2   PHE   45  16.50 +/- 2.78   0.513% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB2   PHE   45  18.39 +/- 2.23   0.339% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  23.09 +/- 4.37   0.216% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 79.5:
      O   HN    PHE   45 - HB2   PHE   45   2.60 +/- 0.44  89.209% * 95.0368% (0.73  10.0   3.62  79.82) =  99.519%  kept
          HN    ASP-  44 - HB2   PHE   45   6.21 +/- 0.42   8.463% *  4.8098% (0.22   1.0   3.30  18.44) =   0.478%  kept
          HN    ALA  110 - HB2   PHE   45  10.46 +/- 2.94   1.954% *  0.1208% (0.92   1.0   0.02   0.02) =   0.003%
          HN    GLU-  25 - HB2   PHE   45  18.90 +/- 3.56   0.374% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.06, residual support = 79.8:
      O   QD    PHE   45 - HB3   PHE   45   2.39 +/- 0.18  99.250% * 99.6976% (0.65  10.0   5.06  79.82) =  99.999%  kept
          HD2   HIS  122 - HB3   PHE   45  17.50 +/- 2.64   0.324% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  19.39 +/- 1.96   0.254% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  23.17 +/- 4.66   0.172% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.722, support = 3.94, residual support = 79.4:
      O   HN    PHE   45 - HB3   PHE   45   3.40 +/- 0.39  83.434% * 95.0384% (0.73  10.0   3.95  79.82) =  99.255%  kept
          HN    ASP-  44 - HB3   PHE   45   6.57 +/- 0.64  12.290% *  4.8081% (0.22   1.0   3.30  18.44) =   0.740%  kept
          HN    ALA  110 - HB3   PHE   45  11.37 +/- 2.70   3.551% *  0.1208% (0.92   1.0   0.02   0.02) =   0.005%
          HN    GLU-  25 - HB3   PHE   45  18.69 +/- 3.95   0.724% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 1.0, residual support = 3.71:
          HA    ASP-  76 - QG2   THR   46   6.56 +/- 3.56 100.000% *100.0000% (0.41   1.00   3.71) = 100.000%  kept
    Distance limit 3.43 A violated in 11 structures by 3.36 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.35, residual support = 34.1:
          HN    THR   46 - QG2   THR   46   2.46 +/- 0.48  77.431% * 91.4939% (0.76   3.36  34.24) =  99.645%  kept
          HN    LYS+  74 - QG2   THR   46   9.88 +/- 3.55   2.413% *  7.0478% (1.00   0.20   0.02) =   0.239%  kept
          HN    MET   92 - QG2   THR   46   7.04 +/- 1.89  18.091% *  0.4031% (0.57   0.02   0.02) =   0.103%  kept
          HN    LYS+ 112 - QG2   THR   46  12.25 +/- 2.36   1.973% *  0.4606% (0.65   0.02   0.02) =   0.013%
          HN    MET   11 - QG2   THR   46  26.80 +/- 4.60   0.093% *  0.5947% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.326, support = 2.85, residual support = 10.1:
          HN    ALA   47 - QG2   THR   46   3.58 +/- 0.53  76.812% * 66.7305% (0.25   3.20  11.64) =  86.918%  kept
          QD    PHE   95 - QG2   THR   46   7.10 +/- 1.91  23.188% * 33.2695% (0.84   0.48   0.02) =  13.082%  kept
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.314, support = 0.924, residual support = 0.621:
          QB    CYS   50 - QG2   THR   46   5.11 +/- 1.35  46.140% * 82.3687% (0.31   0.99   0.67) =  93.186%  kept
          QE    LYS+  74 - QG2   THR   46   7.15 +/- 3.31  32.994% *  6.2969% (0.28   0.08   0.02) =   5.094%  kept
          HB2   PHE   72 - QG2   THR   46  11.33 +/- 2.81   5.765% *  5.3962% (1.00   0.02   0.02) =   0.763%  kept
          HA    ALA   64 - QG2   THR   46  10.42 +/- 2.93  11.445% *  2.2234% (0.41   0.02   0.02) =   0.624%  kept
          HB3   ASN   69 - QG2   THR   46  16.48 +/- 2.99   3.656% *  3.7149% (0.69   0.02   0.02) =   0.333%  kept
    Distance limit 3.64 A violated in 5 structures by 0.86 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   2.80 +/- 0.05  96.929% * 99.9333% (0.49  10.0   2.61   9.17) =  99.999%  kept
          HN    SER   48 - HB2   SER   82  16.69 +/- 4.28   2.762% *  0.0439% (0.21   1.0   0.02   0.02) =   0.001%
          HN    SER   48 - HA    VAL   70  21.17 +/- 3.47   0.309% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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   2.26 +/- 0.18  99.141% * 99.9496% (0.95  10.0   2.41   9.17) = 100.000%  kept
          HN    SER   48 - QB    SER   85  14.01 +/- 3.12   0.659% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  19.09 +/- 2.05   0.199% *  0.0260% (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 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.934, support = 4.08, residual support = 84.8:
      O   HN    TRP   49 - HB2   TRP   49   3.55 +/- 0.11  64.208% * 97.1948% (0.95  10.0   4.09  86.03) =  98.499%  kept
          HN    CYS   50 - HB2   TRP   49   4.37 +/- 0.21  35.352% *  2.6900% (0.15   1.0   3.39   4.26) =   1.501%  kept
          HE22  GLN   30 - HB2   TRP   49  25.63 +/- 3.00   0.203% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  26.11 +/- 4.77   0.237% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 4.69, residual support = 86.0:
      O   HD1   TRP   49 - HB2   TRP   49   3.83 +/- 0.09  97.642% * 99.6923% (0.80  10.0   4.69  86.03) =  99.998%  kept
          HD2   HIS   22 - HB2   TRP   49  25.83 +/- 6.18   0.509% *  0.1149% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   TRP   49  21.41 +/- 4.56   1.038% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   TRP   49  30.75 +/- 4.73   0.263% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  24.52 +/- 5.37   0.548% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.784, support = 4.1, residual support = 85.2:
      O   HN    TRP   49 - HB3   TRP   49   3.08 +/- 0.20  73.962% * 97.1595% (0.79  10.0   4.11  86.03) =  99.034%  kept
          HN    CYS   50 - HB3   TRP   49   4.41 +/- 0.16  25.721% *  2.7254% (0.13   1.0   3.44   4.26) =   0.966%  kept
          HE22  GLN   30 - HB3   TRP   49  25.66 +/- 3.22   0.151% *  0.0948% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  26.60 +/- 4.48   0.166% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 86.0:
      O   HD1   TRP   49 - HB3   TRP   49   2.78 +/- 0.15  99.136% * 99.6923% (0.67  10.0   4.71  86.03) =  99.999%  kept
          HD2   HIS   22 - HB3   TRP   49  25.87 +/- 6.46   0.205% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  21.98 +/- 4.52   0.332% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  30.75 +/- 4.41   0.098% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  24.37 +/- 5.72   0.229% *  0.0192% (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 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.705, support = 0.02, residual support = 2.08:
          HB2   PRO   52 - HB3   TRP   49  10.51 +/- 1.03  60.009% * 45.9163% (0.72   0.02   2.99) =  69.317%  kept
          HB2   ASP-  62 - HB3   TRP   49  19.08 +/- 4.05  23.658% * 45.9163% (0.72   0.02   0.02) =  27.327%  kept
          HG2   MET   96 - HB3   TRP   49  20.49 +/- 4.06  16.333% *  8.1674% (0.13   0.02   0.02) =   3.356%  kept
    Distance limit 3.96 A violated in 20 structures by 6.06 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.538, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.46 +/- 0.92  33.266% * 16.1708% (0.47   0.02   0.02) =  31.544%  kept
          HB    VAL  107 - HB3   TRP   49  18.41 +/- 3.42  14.082% * 27.0190% (0.79   0.02   0.02) =  22.311%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.06 +/- 3.48  23.309% * 16.1708% (0.47   0.02   0.02) =  22.102%  kept
          QG    GLU-  79 - HB3   TRP   49  17.16 +/- 5.33  22.938% * 13.9029% (0.41   0.02   0.02) =  18.700%  kept
          QG    GLN   32 - HB3   TRP   49  28.47 +/- 3.56   3.492% * 22.8711% (0.67   0.02   0.02) =   4.683%  kept
          HG2   GLU-  29 - HB3   TRP   49  30.98 +/- 3.96   2.913% *  3.8655% (0.11   0.02   0.02) =   0.660%  kept
    Distance limit 4.02 A violated in 20 structures by 6.42 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.6, residual support = 6.96:
          QB    ALA   47 - QB    CYS   50   3.36 +/- 0.68  89.388% * 98.8174% (0.65   3.61   6.96) =  99.948%  kept
          QB    ALA   64 - QB    CYS   50  10.83 +/- 1.98   4.965% *  0.5482% (0.65   0.02   0.02) =   0.031%
          QG1   VAL   42 - QB    CYS   50  11.50 +/- 1.54   3.078% *  0.4458% (0.53   0.02   0.02) =   0.016%
          HG2   LYS+ 112 - QB    CYS   50  12.93 +/- 2.11   2.569% *  0.1887% (0.22   0.02   0.02) =   0.005%
    Distance limit 3.66 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.985, support = 1.54, residual support = 7.46:
        T HB2   CYS   53 - QB    CYS   50   3.39 +/- 1.26  64.026% * 89.6966% (1.00 10.00   1.50   7.83) =  95.291%  kept
          HD3   PRO   52 - QB    CYS   50   5.12 +/- 1.31  28.258% * 10.0281% (0.73  1.00   2.30   0.10) =   4.702%  kept
          HD2   PRO   58 - QB    CYS   50   9.20 +/- 1.85   4.902% *  0.0583% (0.49  1.00   0.02   0.02) =   0.005%
          HA    VAL   83 - QB    CYS   50  14.90 +/- 2.97   1.529% *  0.0493% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYS   50  16.40 +/- 3.90   0.868% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  22.71 +/- 2.52   0.228% *  0.0960% (0.80  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  24.70 +/- 3.37   0.190% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.796, support = 1.54, residual support = 7.46:
      O   HN    CYS   50 - QB    CYS   50   2.70 +/- 0.31  79.923% * 88.0168% (0.80  10.0   1.50   7.57) =  96.871%  kept
          HN    TRP   49 - QB    CYS   50   4.42 +/- 0.38  19.098% * 11.8968% (0.65   1.0   2.52   4.26) =   3.129%  kept
          HN    VAL   83 - QB    CYS   50  14.86 +/- 3.06   0.707% *  0.0499% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  20.16 +/- 2.18   0.272% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  97.975% * 97.0144% (0.87  10.0 10.00   2.81  10.20) =  99.985%  kept
        T QB    SER   48 - HA1   GLY   51   8.33 +/- 0.73   1.017% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T QB    SER   85 - HA1   GLY   51  18.40 +/- 3.75   0.138% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA1   GLY   51  18.38 +/- 2.80   0.140% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA1   GLY   51  14.65 +/- 2.71   0.348% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  19.23 +/- 3.62   0.104% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  22.61 +/- 2.29   0.055% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  25.16 +/- 2.44   0.038% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.44 +/- 1.28   0.155% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  30.16 +/- 5.56   0.029% *  0.0724% (0.65   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 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 3.37, residual support = 38.1:
          HB3   CYS   53 - HB2   PRO   52   6.26 +/- 0.78  17.004% * 77.7557% (0.99   4.67  55.60) =  68.294%  kept
          QB    PHE   55 - HB2   PRO   52   4.45 +/- 0.41  43.601% * 10.1804% (0.92   0.66   0.38) =  22.927%  kept
          HD3   PRO   93 - HB2   PRO   52   9.60 +/- 5.18  22.636% *  5.9695% (0.98   0.36   0.02) =   6.980%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.64 +/- 0.77   6.723% *  4.9966% (0.97   0.31   1.91) =   1.735%  kept
          HB2   PHE   59 - HB2   PRO   52  13.15 +/- 1.88   1.661% *  0.2305% (0.69   0.02   0.02) =   0.020%
          HB3   CYS   53 - HG2   MET   96  15.76 +/- 3.26   3.121% *  0.0977% (0.29   0.02   0.02) =   0.016%
          HD3   PRO   93 - HG2   MET   96  14.38 +/- 1.16   1.539% *  0.0966% (0.29   0.02   0.02) =   0.008%
          HD3   PRO   68 - HB2   PRO   52  22.99 +/- 2.18   0.344% *  0.3239% (0.97   0.02   0.02) =   0.006%
          QB    PHE   55 - HG2   MET   96  17.00 +/- 2.15   1.030% *  0.0910% (0.27   0.02   0.02) =   0.005%
          HB2   PHE   59 - HG2   MET   96  15.30 +/- 1.69   1.106% *  0.0677% (0.20   0.02   0.02) =   0.004%
          HD3   PRO   68 - HG2   MET   96  18.22 +/- 2.42   0.687% *  0.0951% (0.28   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HG2   MET   96  21.71 +/- 2.74   0.548% *  0.0951% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.10 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.358, support = 1.91, residual support = 18.5:
        T HD3   PRO   93 - HB3   PRO   52   9.05 +/- 4.65  20.260% * 33.6672% (0.41 10.00   0.34   0.02) =  39.904%  kept
          HB3   CYS   53 - HB3   PRO   52   5.81 +/- 0.73  18.642% * 30.0244% (0.25  1.00   4.96  55.60) =  32.745%  kept
          QB    PHE   55 - HB3   PRO   52   4.20 +/- 0.48  43.826% *  6.9812% (0.53  1.00   0.55   0.38) =  17.899%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.70 +/- 0.75   6.034% * 26.5136% (0.20 10.00   0.55   1.91) =   9.359%  kept
        T HD3   PRO   68 - HB3   PRO   52  22.71 +/- 2.33   0.299% *  2.1784% (0.45 10.00   0.02   0.02) =   0.038%
          HB2   PHE   59 - HB3   PRO   52  12.73 +/- 1.58   1.664% *  0.3891% (0.80  1.00   0.02   0.02) =   0.038%
          HD3   PRO   93 - QB    LYS+  81  14.35 +/- 2.94   4.202% *  0.0229% (0.05  1.00   0.02   0.02) =   0.006%
        T HD2   ARG+  54 - QB    LYS+  81  20.35 +/- 4.02   0.695% *  0.1103% (0.02 10.00   0.02   0.02) =   0.004%
          QB    PHE   55 - QB    LYS+  81  18.26 +/- 3.58   1.163% *  0.0293% (0.06  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - QB    LYS+  81  15.89 +/- 3.59   1.862% *  0.0139% (0.03  1.00   0.02   0.02) =   0.002%
          HD3   PRO   68 - QB    LYS+  81  22.36 +/- 4.27   0.881% *  0.0250% (0.05  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - QB    LYS+  81  21.23 +/- 2.99   0.471% *  0.0446% (0.09  1.00   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.426, support = 0.02, residual support = 0.0347:
          QB    ALA  110 - HB2   PRO   52   8.34 +/- 3.04  19.166% *  2.7932% (0.28   0.02   0.02) =  18.150%  kept
          QB    ALA   61 - HB2   PRO   52  11.88 +/- 1.95   6.452% *  4.8900% (0.49   0.02   0.02) =  10.698%  kept
          HB3   LEU  115 - HB2   PRO   52  13.57 +/- 2.49   3.381% *  8.3913% (0.84   0.02   0.02) =   9.619%  kept
          HG    LEU   40 - HG2   MET   96  11.10 +/- 2.59   8.898% *  2.4650% (0.25   0.02   0.02) =   7.436%  kept
          HG    LEU   73 - HG2   MET   96  12.51 +/- 3.51   7.298% *  2.8481% (0.28   0.02   0.11) =   7.047%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.39 +/- 1.62   6.810% *  2.9446% (0.29   0.02   0.02) =   6.799%  kept
          HG    LEU  115 - HB2   PRO   52  12.99 +/- 2.83   4.835% *  2.7932% (0.28   0.02   0.02) =   4.579%  kept
          HB3   LEU  115 - HG2   MET   96  13.46 +/- 2.23   4.372% *  2.4650% (0.25   0.02   0.19) =   3.654%  kept
          HG    LEU   73 - HB2   PRO   52  22.02 +/- 3.67   1.092% *  9.6953% (0.97   0.02   0.02) =   3.588%  kept
          QG    LYS+  66 - HB2   PRO   52  19.23 +/- 1.91   1.243% *  8.3913% (0.84   0.02   0.02) =   3.537%  kept
          HG    LEU   40 - HB2   PRO   52  23.01 +/- 2.92   0.811% *  8.3913% (0.84   0.02   0.02) =   2.307%  kept
          HG2   LYS+ 102 - HB2   PRO   52  29.34 +/- 4.50   0.663% * 10.0239% (1.00   0.02   0.02) =   2.254%  kept
          HG    LEU   67 - HG2   MET   96  15.32 +/- 2.97   3.086% *  2.1430% (0.21   0.02   0.02) =   2.242%  kept
          HG    LEU   67 - HB2   PRO   52  22.14 +/- 2.01   0.828% *  7.2951% (0.73   0.02   0.02) =   2.048%  kept
          QB    ALA  120 - HB2   PRO   52  17.19 +/- 2.43   2.058% *  2.7932% (0.28   0.02   0.02) =   1.949%  kept
          HB3   LEU   67 - HG2   MET   96  15.28 +/- 2.91   2.977% *  1.9091% (0.19   0.02   0.02) =   1.927%  kept
          HB3   LEU   67 - HB2   PRO   52  21.58 +/- 2.31   0.853% *  6.4990% (0.65   0.02   0.02) =   1.880%  kept
          QB    ALA   61 - HG2   MET   96  13.67 +/- 1.36   3.682% *  1.4365% (0.14   0.02   0.02) =   1.793%  kept
          QG    LYS+  66 - HG2   MET   96  17.58 +/- 3.32   2.095% *  2.4650% (0.25   0.02   0.02) =   1.750%  kept
          HG    LEU   80 - HG2   MET   96  14.96 +/- 4.38   5.032% *  0.9109% (0.09   0.02   0.02) =   1.554%  kept
          HG    LEU   80 - HB2   PRO   52  21.42 +/- 4.57   1.435% *  3.1007% (0.31   0.02   0.02) =   1.508%  kept
          HG    LEU  115 - HG2   MET   96  14.33 +/- 2.43   3.972% *  0.8205% (0.08   0.02   0.19) =   1.105%  kept
          QB    ALA  110 - HG2   MET   96  13.16 +/- 1.53   3.806% *  0.8205% (0.08   0.02   0.02) =   1.059%  kept
          QB    ALA  120 - HG2   MET   96  16.06 +/- 2.45   2.380% *  0.8205% (0.08   0.02   0.02) =   0.662%  kept
          HG12  ILE   19 - HG2   MET   96  16.86 +/- 3.51   2.332% *  0.6570% (0.07   0.02   0.02) =   0.519%  kept
          HG12  ILE   19 - HB2   PRO   52  26.84 +/- 4.06   0.444% *  2.2366% (0.22   0.02   0.02) =   0.336%  kept
    Distance limit 3.22 A violated in 18 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.544, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HD2   PRO   52  12.77 +/- 2.60  14.529% * 14.5547% (0.18 10.00   0.02   0.02) =  25.147%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.19 +/- 4.78  11.031% * 12.8231% (0.15 10.00   0.02   0.02) =  16.821%  kept
          HB3   PRO   93 - HD2   PRO   52  10.94 +/- 3.01  22.359% *  5.3763% (0.65  1.00   0.02   0.02) =  14.295%  kept
          HB3   ASP-  44 - HD2   PRO   52  13.66 +/- 1.87  10.239% *  8.1462% (0.98  1.00   0.02   0.02) =   9.919%  kept
          QB    ALA   84 - HD2   PRO   52  13.62 +/- 2.87  12.477% *  5.7087% (0.69  1.00   0.02   0.02) =   8.471%  kept
          HG2   LYS+ 111 - HD2   PRO   52  15.10 +/- 2.14   8.583% *  6.9417% (0.84  1.00   0.02   0.02) =   7.086%  kept
          HB2   LEU   63 - HD2   PRO   52  16.49 +/- 1.75   5.892% *  8.3107% (1.00  1.00   0.02   0.02) =   5.823%  kept
          HB3   LEU   80 - HD2   PRO   52  18.37 +/- 3.47   5.531% *  8.1462% (0.98  1.00   0.02   0.02) =   5.358%  kept
          QB    ALA  124 - HD2   PRO   52  21.90 +/- 2.18   2.816% *  7.4533% (0.90  1.00   0.02   0.02) =   2.496%  kept
          HG    LEU   98 - HD2   PRO   52  23.29 +/- 3.35   2.562% *  6.6547% (0.80  1.00   0.02   0.02) =   2.027%  kept
          HB2   LEU   31 - HD2   PRO   52  26.92 +/- 3.54   1.365% *  7.4533% (0.90  1.00   0.02   0.02) =   1.209%  kept
          HG2   LYS+  99 - HD2   PRO   52  27.97 +/- 4.08   1.623% *  4.7052% (0.57  1.00   0.02   0.02) =   0.908%  kept
          HG2   LYS+  38 - HD2   PRO   52  30.54 +/- 3.68   0.993% *  3.7260% (0.45  1.00   0.02   0.02) =   0.440%  kept
    Distance limit 3.70 A violated in 20 structures by 4.86 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.32, residual support = 223.1:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  97.811% * 97.1447% (0.80  10.0 10.00   7.32 223.17) =  99.983%  kept
        T HA    SER   48 - HD3   PRO   52   8.63 +/- 1.28   1.232% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.016%
        T HB2   SER   82 - HD3   PRO   52  21.57 +/- 5.06   0.117% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HD3   PRO   52  15.98 +/- 3.49   0.237% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  24.58 +/- 2.65   0.043% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.78 +/- 4.25   0.223% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.62 +/- 2.11   0.130% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  25.86 +/- 5.29   0.039% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  19.96 +/- 3.21   0.085% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.30 +/- 3.52   0.020% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  31.25 +/- 3.15   0.020% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.67 +/- 2.71   0.016% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  30.74 +/- 5.46   0.026% *  0.0212% (0.18   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 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.864, support = 7.3, residual support = 222.0:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  93.498% * 88.4373% (0.87  10.0 10.00   7.32 223.17) =  99.285%  kept
          HB2   CYS   53 - HD2   PRO   52   4.59 +/- 0.44   5.765% * 10.3049% (0.38   1.0  1.00   5.39  55.60) =   0.713%  kept
        T HB3   SER   82 - HD2   PRO   52  19.99 +/- 4.84   0.160% *  0.9411% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          HA    ILE   89 - HD2   PRO   52  12.80 +/- 2.30   0.341% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.65 +/- 2.67   0.140% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  28.15 +/- 2.47   0.025% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  30.00 +/- 3.54   0.025% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.94 +/- 2.53   0.026% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.29 +/- 3.45   0.022% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.3:
      O   HA1   GLY   51 - HD3   PRO   52   2.27 +/- 0.45  95.166% * 97.0168% (0.76  10.0  1.00   3.95  13.31) =  99.993%  kept
          HB    THR   77 - HD3   PRO   52  14.75 +/- 4.04   1.564% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - HD3   PRO   52  24.89 +/- 4.23   0.140% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.002%
        T HA    THR   39 - HD3   PRO   52  29.58 +/- 2.55   0.068% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HD3   PRO   52  11.39 +/- 0.97   1.071% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  18.47 +/- 4.21   0.511% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  15.24 +/- 1.65   0.515% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD3   PRO   52  19.86 +/- 4.99   0.389% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  19.77 +/- 4.77   0.508% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  38.20 +/- 5.67   0.030% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  36.55 +/- 4.92   0.039% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.09, residual support = 13.3:
      O   HA1   GLY   51 - HD2   PRO   52   2.90 +/- 0.37  92.632% * 92.3448% (0.34  10.0  1.00   5.09  13.31) =  99.951%  kept
        T HA    SER   85 - HD2   PRO   52  17.70 +/- 3.69   0.680% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.021%
        T HA    ILE  103 - HD2   PRO   52  23.40 +/- 4.21   0.402% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.011%
          HB    THR   77 - HD2   PRO   52  13.43 +/- 3.95   2.204% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HA    ASP-  44 - HD2   PRO   52  13.66 +/- 1.58   1.207% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HA    THR   39 - HD2   PRO   52  28.08 +/- 2.48   0.132% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASP-  86 - HD2   PRO   52  18.92 +/- 4.31   1.109% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - HD2   PRO   52  18.66 +/- 4.86   0.817% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HD2   PRO   52  24.38 +/- 4.97   0.558% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  36.92 +/- 5.45   0.062% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  31.55 +/- 4.20   0.112% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  35.24 +/- 4.84   0.086% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.2:
      O   HG2   PRO   52 - HD3   PRO   52   2.91 +/- 0.00  91.348% * 99.6603% (0.90  10.0   6.60 223.17) =  99.996%  kept
          HG2   MET   92 - HD3   PRO   52  11.90 +/- 3.52   6.006% *  0.0417% (0.38   1.0   0.02   0.02) =   0.003%
          QG    GLU- 114 - HD3   PRO   52  14.89 +/- 2.61   1.076% *  0.0498% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   PRO   58 - HD3   PRO   52  14.33 +/- 1.47   0.863% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  19.69 +/- 4.29   0.474% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  30.63 +/- 5.11   0.174% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.46 +/- 2.85   0.059% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 223.2:
      O   HG3   PRO   52 - HD3   PRO   52   2.30 +/- 0.00  97.568% * 99.3977% (0.97  10.0  1.00   6.60 223.17) =  99.996%  kept
        T HB2   PRO   93 - HD3   PRO   52  11.65 +/- 3.63   1.512% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   58 - HD3   PRO   52  13.38 +/- 1.35   0.551% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HD3   PRO   52  25.11 +/- 4.83   0.162% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  26.26 +/- 2.97   0.076% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  33.15 +/- 3.86   0.043% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  38.74 +/- 5.66   0.029% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.62 +/- 2.96   0.058% *  0.0318% (0.31   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 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.568, support = 6.77, residual support = 222.0:
      O   HB3   PRO   52 - HD3   PRO   52   3.95 +/- 0.27  65.142% * 96.1251% (0.57  10.0   6.81 223.17) =  99.455%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.32 +/- 0.82  12.067% *  2.6391% (0.95   1.0   0.33   1.91) =   0.506%  kept
          HB3   GLN   90 - HD3   PRO   52  12.62 +/- 4.05   5.648% *  0.1298% (0.76   1.0   0.02   0.02) =   0.012%
          QB    LYS+  81 - HD3   PRO   52  17.89 +/- 4.96   5.576% *  0.1166% (0.69   1.0   0.02   0.02) =   0.010%
          QB    LYS+ 106 - HD3   PRO   52  17.13 +/- 4.47   3.506% *  0.1098% (0.65   1.0   0.02   0.02) =   0.006%
          HB3   ASP- 105 - HD3   PRO   52  22.10 +/- 4.65   1.575% *  0.1567% (0.92   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HD3   PRO   52  10.74 +/- 1.39   3.796% *  0.0423% (0.25   1.0   0.02   0.02) =   0.003%
          HB    ILE  103 - HD3   PRO   52  24.92 +/- 4.78   0.632% *  0.1639% (0.97   1.0   0.02   0.02) =   0.002%
          HG3   PRO   68 - HD3   PRO   52  25.17 +/- 2.97   0.314% *  0.1664% (0.98   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HD3   PRO   52  22.64 +/- 2.97   0.535% *  0.0961% (0.57   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD3   PRO   52  23.97 +/- 4.18   0.519% *  0.0524% (0.31   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  28.57 +/- 2.20   0.183% *  0.1418% (0.84   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.01 +/- 2.88   0.358% *  0.0336% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  31.63 +/- 3.41   0.151% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.07, residual support = 55.6:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.01  98.143% * 99.2986% (0.61   6.07  55.60) =  99.996%  kept
          HN    LEU   80 - HD3   PRO   52  18.86 +/- 4.25   1.368% *  0.2025% (0.38   0.02   0.02) =   0.003%
          HN    THR   26 - HD3   PRO   52  28.50 +/- 3.74   0.287% *  0.3490% (0.65   0.02   0.02) =   0.001%
          HN    ALA   34 - HD3   PRO   52  29.67 +/- 2.53   0.202% *  0.1500% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 3.49, residual support = 13.3:
          HN    GLY   51 - HD3   PRO   52   3.40 +/- 0.92  97.515% * 99.4650% (0.92   3.49  13.31) =  99.986%  kept
          HN    VAL  107 - HD3   PRO   52  17.26 +/- 3.74   2.485% *  0.5350% (0.87   0.02   0.02) =   0.014%
    Distance limit 4.13 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.613, support = 1.67, residual support = 1.81:
          HN    ARG+  54 - HD2   PRO   52   4.40 +/- 0.26  66.232% * 83.3557% (0.61   1.77   1.91) =  93.781%  kept
          HN    PHE   55 - HD2   PRO   52   5.91 +/- 0.26  27.747% * 13.0171% (0.73   0.23   0.38) =   6.135%  kept
          HN    ASP-  62 - HD2   PRO   52  14.58 +/- 1.67   2.150% *  1.4337% (0.92   0.02   0.02) =   0.052%
          HN    ALA   88 - HD2   PRO   52  15.84 +/- 3.37   3.279% *  0.3873% (0.25   0.02   0.02) =   0.022%
          HN    LEU   31 - HD2   PRO   52  26.56 +/- 2.92   0.348% *  1.4989% (0.97   0.02   0.02) =   0.009%
          HN    LYS+  38 - HD2   PRO   52  29.91 +/- 3.02   0.245% *  0.3074% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 55.6:
          HN    CYS   53 - HD2   PRO   52   2.33 +/- 0.05  99.432% * 99.4794% (0.61   8.19  55.60) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  17.65 +/- 4.10   0.419% *  0.1503% (0.38   0.02   0.02) =   0.001%
          HN    THR   26 - HD2   PRO   52  27.12 +/- 3.73   0.087% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.15 +/- 2.54   0.062% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 7.8:
          QB    CYS   50 - HB3   CYS   53   3.97 +/- 0.96  74.167% * 96.8276% (0.92   1.49   7.83) =  99.602%  kept
          QE    LYS+  74 - HB3   CYS   53  11.93 +/- 3.16  16.549% *  1.3318% (0.95   0.02   0.02) =   0.306%  kept
          HB3   ASP-  78 - HB3   CYS   53  13.76 +/- 4.57   4.517% *  0.7971% (0.57   0.02   0.02) =   0.050%
          HB3   ASN   69 - HB3   CYS   53  21.48 +/- 4.77   3.361% *  0.7971% (0.57   0.02   0.02) =   0.037%
          HB2   PHE   72 - HB3   CYS   53  16.70 +/- 2.22   1.406% *  0.2466% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.17 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 = 7.83:
        T QB    CYS   50 - HB2   CYS   53   3.39 +/- 1.26  76.947% * 99.6254% (0.92 10.00   1.50   7.83) =  99.967%  kept
          QE    LYS+  74 - HB2   CYS   53  11.66 +/- 3.02  17.616% *  0.1291% (0.90  1.00   0.02   0.02) =   0.030%
          HB3   ASN   69 - HB2   CYS   53  21.07 +/- 4.19   0.928% *  0.1389% (0.97  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   CYS   53  13.90 +/- 4.21   3.567% *  0.0252% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB2   CYS   53  16.51 +/- 1.79   0.942% *  0.0815% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 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 = 0.939, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   3.24 +/- 0.97  82.142% * 41.1882% (0.95 10.00   0.02   0.02) =  97.589%  kept
          QB    ALA   91 - HA    CYS   53   8.65 +/- 2.31  10.755% *  3.9049% (0.90  1.00   0.02   0.02) =   1.211%  kept
        T HG    LEU   71 - HA    CYS   53  21.26 +/- 2.90   1.087% * 13.4389% (0.31 10.00   0.02   0.02) =   0.421%  kept
        T HG13  ILE   19 - HA    CYS   53  22.85 +/- 3.71   0.500% * 24.6510% (0.57 10.00   0.02   0.02) =   0.355%  kept
          QG2   THR   39 - HA    CYS   53  20.30 +/- 2.20   1.053% *  3.9049% (0.90  1.00   0.02   0.02) =   0.119%  kept
          QB    ALA   34 - HA    CYS   53  19.14 +/- 2.10   1.072% *  3.4865% (0.80  1.00   0.02   0.02) =   0.108%  kept
          HG3   LYS+  38 - HA    CYS   53  27.41 +/- 3.54   0.447% *  4.3541% (1.00  1.00   0.02   0.02) =   0.056%
          HG2   LYS+  74 - HA    CYS   53  14.99 +/- 3.04   1.250% *  1.4852% (0.34  1.00   0.02   0.02) =   0.054%
          QG2   THR   23 - HA    CYS   53  20.99 +/- 3.18   0.791% *  1.9521% (0.45  1.00   0.02   0.02) =   0.045%
          HG3   LYS+  99 - HA    CYS   53  24.12 +/- 3.34   0.904% *  1.6341% (0.38  1.00   0.02   0.02) =   0.043%
    Distance limit 3.37 A violated in 2 structures by 0.31 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 = 4.86, residual support = 44.8:
      O   HN    CYS   53 - HA    CYS   53   2.78 +/- 0.04  99.052% * 99.7861% (0.61  10.0   4.86  44.79) =  99.999%  kept
          HN    LEU   80 - HA    CYS   53  17.10 +/- 3.14   0.589% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  24.86 +/- 3.22   0.203% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  24.87 +/- 2.41   0.156% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 5.0, residual support = 44.8:
      O   HN    CYS   53 - HB2   CYS   53   2.78 +/- 0.36  98.541% * 99.7861% (0.61  10.0   5.00  44.79) =  99.999%  kept
          HN    LEU   80 - HB2   CYS   53  15.83 +/- 2.96   0.993% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - HB2   CYS   53  23.83 +/- 3.59   0.284% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.35 +/- 2.34   0.181% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.956, support = 5.44, residual support = 31.3:
          HN    ARG+  54 - HB2   CYS   53   3.11 +/- 0.29  76.876% * 94.2444% (0.97   5.50  31.69) =  98.702%  kept
          HN    PHE   55 - HB2   CYS   53   4.97 +/- 0.27  19.186% *  4.8999% (0.31   0.89   0.02) =   1.281%  kept
          HN    ASP-  62 - HB2   CYS   53  10.68 +/- 1.94   3.523% *  0.3360% (0.95   0.02   0.02) =   0.016%
          HN    LEU   31 - HB2   CYS   53  22.92 +/- 2.78   0.263% *  0.3186% (0.90   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   CYS   53  26.10 +/- 2.54   0.151% *  0.2011% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.31, residual support = 31.7:
          HN    ARG+  54 - HB3   CYS   53   3.87 +/- 0.32  92.807% * 99.1657% (0.87   5.32  31.69) =  99.982%  kept
          HN    ASP-  62 - HB3   CYS   53  11.25 +/- 1.70   6.105% *  0.2263% (0.53   0.02   0.02) =   0.015%
          HN    LYS+  38 - HB3   CYS   53  26.23 +/- 3.23   0.401% *  0.4151% (0.97   0.02   0.02) =   0.002%
          HN    LEU   31 - HB3   CYS   53  23.01 +/- 2.98   0.687% *  0.1928% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.22 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 = 4.79, residual support = 167.4:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.85 +/- 0.14  78.767% * 98.7550% (0.87  10.0 10.00   4.80 167.85) =  99.706%  kept
          QB    ALA   57 - HD2   ARG+  54   5.34 +/- 1.13  20.467% *  1.1175% (0.20   1.0  1.00   0.99   0.60) =   0.293%  kept
          HB3   LEU  123 - HD2   ARG+  54  19.72 +/- 2.70   0.333% *  0.0510% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   ARG+  54  18.95 +/- 2.10   0.303% *  0.0253% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  25.87 +/- 3.24   0.129% *  0.0510% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.61, residual support = 167.2:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  94.105% * 80.9484% (0.87  10.0 10.00   3.61 167.85) =  99.586%  kept
          QB    PHE   55 - HD3   ARG+  54   6.47 +/- 1.00   2.914% *  6.7996% (0.49   1.0  1.00   2.99   4.27) =   0.259%  kept
          HB3   CYS   53 - HD3   ARG+  54   8.19 +/- 0.52   0.967% * 12.1193% (0.80   1.0  1.00   3.24  31.69) =   0.153%  kept
          HD3   PRO   93 - HD3   ARG+  54  11.86 +/- 3.34   1.543% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   ARG+  54  11.85 +/- 1.68   0.378% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  19.18 +/- 3.40   0.093% *  0.0528% (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 = 3.61, residual support = 167.8:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.900% * 99.9131% (1.00  10.0 10.00   3.61 167.85) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  24.89 +/- 6.79   0.100% *  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 = 0.865, support = 3.7, residual support = 167.4:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.76 +/- 0.25  76.493% * 98.8870% (0.87  10.0 10.00   3.71 167.85) =  99.704%  kept
          QB    ALA   57 - HD3   ARG+  54   5.40 +/- 1.31  22.775% *  0.9854% (0.20   1.0  1.00   0.87   0.60) =   0.296%  kept
          HB3   LEU  123 - HD3   ARG+  54  19.59 +/- 3.13   0.330% *  0.0511% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  25.50 +/- 3.40   0.137% *  0.0511% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   ARG+  54  19.23 +/- 2.34   0.265% *  0.0254% (0.22   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 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.99, residual support = 167.8:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.60 +/- 0.31  76.056% * 97.6350% (0.49  10.0 10.00   3.99 167.85) =  99.958%  kept
          HB2   MET   92 - HD3   ARG+  54  14.04 +/- 4.35  16.677% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.027%
          HB    ILE   56 - HD3   ARG+  54   9.81 +/- 1.24   1.835% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   58 - HD3   ARG+  54   9.10 +/- 2.05   3.453% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   PRO   68 - HD3   ARG+  54  20.66 +/- 3.77   0.221% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   ARG+  54  18.85 +/- 3.44   0.418% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   ARG+  54  16.86 +/- 2.58   0.406% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HD3   ARG+  54  20.22 +/- 3.65   0.269% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   ARG+  54  22.46 +/- 3.63   0.280% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.03 +/- 3.12   0.106% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  29.35 +/- 3.16   0.071% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.20 +/- 2.99   0.095% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  26.17 +/- 3.67   0.114% *  0.0899% (0.45   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 167.8:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.35 +/- 0.48  89.997% * 99.0727% (0.73  10.0   4.03 167.85) =  99.992%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.72 +/- 2.93   4.078% *  0.0561% (0.41   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HD3   ARG+  54  15.45 +/- 2.23   1.297% *  0.1317% (0.97   1.0   0.02   0.02) =   0.002%
          HB    VAL  108 - HD3   ARG+  54  18.95 +/- 3.64   0.984% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD3   ARG+  54  21.47 +/- 3.87   0.506% *  0.0883% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  17.32 +/- 1.99   0.862% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.03 +/- 2.80   0.267% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  25.97 +/- 3.62   0.258% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  24.79 +/- 4.88   0.744% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  31.45 +/- 3.24   0.133% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  23.76 +/- 4.75   0.401% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  28.17 +/- 5.35   0.473% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 5.08, residual support = 167.8:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  94.272% * 97.1361% (0.92  10.0 10.00   5.08 167.85) =  99.996%  kept
        T HG3   PRO   68 - HG3   ARG+  54  20.62 +/- 3.60   0.090% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG3   ARG+  54  13.32 +/- 4.12   2.696% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   ARG+  54   9.11 +/- 0.90   0.776% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  26.08 +/- 3.01   0.035% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  18.20 +/- 2.80   0.146% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.12 +/- 1.25   1.293% *  0.0208% (0.20   1.0  1.00   0.02   1.91) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.04 +/- 3.66   0.205% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  16.17 +/- 2.38   0.152% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.59 +/- 3.64   0.113% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  21.73 +/- 3.59   0.104% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  25.41 +/- 3.78   0.046% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  24.81 +/- 3.24   0.046% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  28.99 +/- 3.14   0.025% *  0.0512% (0.49   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 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 167.8:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.54 +/- 0.27  94.330% * 97.7423% (0.31  10.0   5.12 167.85) =  99.989%  kept
          QB    GLU-  15 - HG3   ARG+  54  24.91 +/- 5.27   2.132% *  0.2175% (0.69   1.0   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - HG3   ARG+  54  16.58 +/- 1.61   0.401% *  0.2420% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   ARG+  54  15.31 +/- 1.53   0.501% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG3   ARG+  54  21.43 +/- 3.64   0.261% *  0.3104% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   ARG+  54  23.90 +/- 4.99   0.368% *  0.2175% (0.69   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HG3   ARG+  54  17.94 +/- 3.80   0.464% *  0.1189% (0.38   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG3   ARG+  54  14.99 +/- 2.63   0.789% *  0.0627% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   ARG+  54  25.84 +/- 3.70   0.145% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  28.05 +/- 5.10   0.226% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  24.84 +/- 2.94   0.141% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  30.83 +/- 3.14   0.060% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  23.17 +/- 3.29   0.181% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 167.8:
      O   HA    ARG+  54 - HG3   ARG+  54   3.35 +/- 0.66  92.275% * 99.5710% (1.00  10.0   5.75 167.85) =  99.996%  kept
          HA    LEU  115 - HG3   ARG+  54  14.95 +/- 2.60   3.195% *  0.0604% (0.61   1.0   0.02   0.02) =   0.002%
          HA    LYS+  81 - HG3   ARG+  54  20.57 +/- 3.03   0.788% *  0.0644% (0.65   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HG3   ARG+  54  17.25 +/- 2.71   2.357% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  23.14 +/- 2.80   0.420% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  25.71 +/- 4.05   0.330% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  26.49 +/- 3.03   0.246% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  31.61 +/- 3.72   0.154% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  29.56 +/- 3.66   0.235% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.71, residual support = 167.8:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.76 +/- 0.25  99.562% * 99.9462% (0.76  10.0 10.00   3.71 167.85) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  24.52 +/- 6.49   0.438% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.859, support = 4.77, residual support = 162.8:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.85 +/- 0.14  75.639% * 77.0435% (0.87  10.0 10.00   4.80 167.85) =  96.690%  kept
          QB    PHE   55 - HG3   ARG+  54   5.75 +/- 0.95  13.601% *  8.0432% (0.49   1.0  1.00   3.72   4.27) =   1.815%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.94 +/- 0.79   6.077% * 14.7869% (0.80   1.0  1.00   4.16  31.69) =   1.491%  kept
          HD3   PRO   93 - HG3   ARG+  54  11.32 +/- 3.05   3.053% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG3   ARG+  54  11.55 +/- 0.97   1.280% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  19.15 +/- 3.09   0.348% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.64, residual support = 167.8:
          HN    ARG+  54 - HG3   ARG+  54   3.62 +/- 0.68  92.307% * 99.3307% (0.87   6.64 167.85) =  99.984%  kept
          HN    ASP-  62 - HG3   ARG+  54  11.11 +/- 1.90   6.975% *  0.1815% (0.53   0.02   0.02) =   0.014%
          HN    LYS+  38 - HG3   ARG+  54  28.72 +/- 3.17   0.293% *  0.3330% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   ARG+  54  25.79 +/- 3.34   0.425% *  0.1547% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.866, support = 5.07, residual support = 167.6:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  85.168% * 96.7168% (0.87  10.0 10.00   5.08 167.85) =  99.836%  kept
          QB    ALA   57 - HG2   ARG+  54   4.62 +/- 1.14   8.810% *  1.4382% (0.20   1.0  1.00   1.30   0.60) =   0.154%  kept
        T HB3   LEU  123 - HG3   PRO   68  14.05 +/- 8.27   5.279% *  0.1334% (0.12   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   LEU  123 - HG2   ARG+  54  19.23 +/- 2.47   0.081% *  0.4999% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.80 +/- 2.88   0.213% *  0.1334% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  17.99 +/- 2.04   0.093% *  0.2482% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  20.62 +/- 3.60   0.081% *  0.2581% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  24.79 +/- 3.10   0.037% *  0.4999% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.27 +/- 3.47   0.034% *  0.0662% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  14.59 +/- 2.55   0.204% *  0.0059% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.159, support = 3.29, residual support = 36.0:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  72.265% * 33.8555% (0.12  10.0  1.00   2.31  36.05) =  61.782%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.63 +/- 0.29  23.988% * 63.0750% (0.22  10.0  1.00   4.89  36.05) =  38.208%  kept
          QB    GLU-  15 - HG2   ARG+  54  24.20 +/- 4.94   0.405% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - HG3   PRO   68  12.60 +/- 5.16   0.738% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  14.46 +/- 2.64   0.254% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   PRO   68  13.26 +/- 5.67   0.418% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG2   ARG+  54  16.04 +/- 1.74   0.110% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG3   PRO   68  15.39 +/- 3.91   0.532% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   ARG+  54  23.20 +/- 4.61   0.067% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  24.14 +/- 2.46   0.033% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  20.92 +/- 3.57   0.066% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  27.39 +/- 4.83   0.052% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  20.22 +/- 3.42   0.063% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  14.70 +/- 1.45   0.135% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  22.41 +/- 2.86   0.040% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  14.93 +/- 5.52   0.348% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.56 +/- 2.73   0.123% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  25.11 +/- 3.16   0.032% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.86 +/- 2.92   0.071% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.12 +/- 3.24   0.037% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  25.76 +/- 3.09   0.029% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.08 +/- 2.14   0.109% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  21.17 +/- 5.91   0.070% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  30.04 +/- 2.97   0.016% *  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 = 0.746, support = 4.87, residual support = 141.6:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.74 +/- 0.28  38.921% * 68.3445% (0.87  10.0 10.00   4.94 167.85) =  80.746%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.63 +/- 0.30  42.842% * 11.9032% (0.15  10.0  1.00   4.79  36.05) =  15.480%  kept
          QB    PHE   55 - HG2   ARG+  54   5.36 +/- 1.47  11.834% *  6.8826% (0.49   1.0  1.00   3.59   4.27) =   2.472%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.27 +/- 0.70   3.414% * 12.5302% (0.80   1.0  1.00   3.97  31.69) =   1.298%  kept
          HD3   PRO   93 - HG2   ARG+  54  10.71 +/- 2.89   1.236% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HG3   PRO   68  20.96 +/- 3.45   0.107% *  0.1824% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  10.82 +/- 1.03   0.648% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  18.55 +/- 3.11   0.158% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.68 +/- 4.13   0.187% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.62 +/- 3.58   0.414% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  20.47 +/- 3.29   0.118% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.18 +/- 2.41   0.123% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.99, residual support = 167.8:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.60 +/- 0.31  99.713% * 99.7339% (0.31  10.0 10.00   3.99 167.85) =  99.999%  kept
        T HD3   ARG+  54 - HG3   PRO   68  20.66 +/- 3.77   0.287% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 5.79, residual support = 167.8:
      O T HA    ARG+  54 - HG2   ARG+  54   2.75 +/- 0.66  86.681% * 97.8074% (1.00  10.0 10.00   5.80 167.85) =  99.976%  kept
        T HA    LEU  115 - HG2   ARG+  54  14.24 +/- 2.46   2.282% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.016%
        T HA    LYS+  81 - HG2   ARG+  54  20.22 +/- 2.90   0.362% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ARG+  54 - HG3   PRO   68  18.77 +/- 2.92   0.384% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   PRO   68  16.18 +/- 7.68   3.480% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - HG3   PRO   68  17.56 +/- 3.46   0.540% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  25.86 +/- 4.76   0.442% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG2   ARG+  54  22.65 +/- 2.52   0.262% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  16.69 +/- 2.70   1.312% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  18.43 +/- 4.36   1.325% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.02 +/- 3.93   0.261% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.34 +/- 2.64   1.164% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  25.78 +/- 2.63   0.157% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  21.01 +/- 3.49   0.403% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  30.93 +/- 3.40   0.101% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  28.76 +/- 3.46   0.143% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  22.45 +/- 5.86   0.387% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.76 +/- 3.95   0.313% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 167.8:
          HN    ARG+  54 - HG2   ARG+  54   3.19 +/- 0.45  88.789% * 99.0700% (0.87   6.60 167.85) =  99.985%  kept
          HN    ASP-  62 - HG2   ARG+  54  10.42 +/- 1.95   4.852% *  0.1820% (0.53   0.02   0.02) =   0.010%
          HN    ASP-  62 - HG3   PRO   68  12.23 +/- 2.23   3.303% *  0.0486% (0.14   0.02   0.02) =   0.002%
          HN    LYS+  38 - HG3   PRO   68  16.01 +/- 2.91   1.248% *  0.0891% (0.26   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  28.03 +/- 2.81   0.175% *  0.3338% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  25.08 +/- 3.10   0.272% *  0.1551% (0.45   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  20.81 +/- 2.89   0.508% *  0.0801% (0.23   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  18.83 +/- 2.92   0.854% *  0.0414% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 0.394, residual support = 0.6:
          QB    ALA   57 - HB3   ARG+  54   4.81 +/- 1.20  78.150% * 82.6959% (0.97   0.40   0.60) =  99.253%  kept
          HD2   LYS+  74 - HB3   ARG+  54  15.69 +/- 2.83   4.053% *  3.1339% (0.73   0.02   0.02) =   0.195%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  17.70 +/- 1.51   2.890% *  4.2303% (0.98   0.02   0.02) =   0.188%  kept
          HB3   LEU  123 - HB3   ARG+  54  19.44 +/- 2.65   2.507% *  4.1650% (0.97   0.02   0.02) =   0.160%  kept
          QD    LYS+  65 - HB3   ARG+  54  12.72 +/- 3.38   8.269% *  0.7558% (0.18   0.02   0.02) =   0.096%
          QD    LYS+  33 - HB3   ARG+  54  25.10 +/- 3.31   1.058% *  4.1650% (0.97   0.02   0.02) =   0.068%
          HB2   LYS+ 121 - HB3   ARG+  54  19.59 +/- 2.55   3.072% *  0.8541% (0.20   0.02   0.02) =   0.040%
    Distance limit 3.15 A violated in 8 structures by 1.66 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 = 5.34, residual support = 167.8:
      O   HN    ARG+  54 - HB3   ARG+  54   2.90 +/- 0.70  95.792% * 99.7769% (0.87  10.0   5.34 167.85) =  99.997%  kept
          HN    ASP-  62 - HB3   ARG+  54  10.67 +/- 1.64   3.789% *  0.0605% (0.53   1.0   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB3   ARG+  54  28.30 +/- 3.22   0.161% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  25.34 +/- 3.49   0.258% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.54, residual support = 167.8:
      O   HN    ARG+  54 - HB2   ARG+  54   2.66 +/- 0.50  90.828% * 99.6984% (0.87  10.0   6.54 167.85) =  99.998%  kept
          HN    ASP-  62 - HB2   ARG+  54  11.19 +/- 1.36   1.893% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB2   GLU-  14  15.69 +/- 2.94   4.572% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  15.12 +/- 2.92   0.965% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  28.51 +/- 3.33   0.124% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  25.56 +/- 3.41   0.164% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  20.52 +/- 2.64   0.378% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  29.17 +/- 3.76   0.199% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  21.12 +/- 3.03   0.272% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  22.36 +/- 4.23   0.319% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  26.69 +/- 5.03   0.178% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.85 +/- 5.79   0.108% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.247, support = 1.45, residual support = 28.0:
          QE    PHE   59 - HA    LEU  115   2.86 +/- 0.89  62.884% * 69.2978% (0.25   1.50  28.63) =  96.249%  kept
          HN    PHE   59 - HA    LEU  115   7.65 +/- 1.63   9.592% *  7.5743% (0.13   0.32  28.63) =   1.605%  kept
          QD    PHE   60 - HA    LEU  115   8.37 +/- 1.42   4.850% * 10.4308% (0.17   0.32   0.02) =   1.117%  kept
          QD    PHE   60 - HA    ARG+  54   6.86 +/- 1.40   9.497% *  2.1231% (0.57   0.02   0.02) =   0.445%  kept
          HN    PHE   59 - HA    ARG+  54   7.11 +/- 0.78   7.648% *  1.5417% (0.41   0.02   0.02) =   0.260%  kept
          QE    PHE   59 - HA    ARG+  54  10.61 +/- 1.45   2.915% *  3.0028% (0.80   0.02   0.02) =   0.193%  kept
          HN    LYS+  66 - HA    ARG+  54  13.61 +/- 1.80   1.234% *  3.6758% (0.98   0.02   0.02) =   0.100%  kept
          HN    LYS+  66 - HA    LEU  115  14.37 +/- 1.71   0.873% *  1.1311% (0.30   0.02   0.02) =   0.022%
          HN    LYS+  81 - HA    ARG+  54  20.23 +/- 3.06   0.315% *  0.9351% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  81 - HA    LEU  115  23.39 +/- 2.76   0.192% *  0.2877% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.878, support = 6.09, residual support = 146.1:
      O   HN    ARG+  54 - HA    ARG+  54   2.74 +/- 0.05  62.994% * 75.5578% (0.97  10.0   6.53 167.85) =  86.677%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.50 +/- 0.04  30.264% * 24.1648% (0.31  10.0   3.27   4.27) =  13.318%  kept
          HN    ASP-  62 - HA    ARG+  54   8.82 +/- 1.35   2.385% *  0.0741% (0.95   1.0   0.02   0.02) =   0.003%
          HN    ASP-  62 - HA    LEU  115  10.29 +/- 1.44   1.559% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU  115  13.30 +/- 2.31   0.863% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.86 +/- 2.24   1.232% *  0.0074% (0.09   1.0   0.02   3.66) =   0.000%
          HN    LEU   31 - HA    ARG+  54  23.45 +/- 3.12   0.129% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  20.55 +/- 3.72   0.239% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  26.25 +/- 2.97   0.087% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  21.19 +/- 3.90   0.249% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.565, support = 4.28, residual support = 20.1:
          HN    ILE   56 - QB    PHE   55   2.78 +/- 0.43  87.372% * 93.6259% (0.57   4.29  20.17) =  99.718%  kept
          QE    PHE   60 - QB    PHE   55   8.70 +/- 1.93   5.391% *  2.2943% (0.25   0.24   0.02) =   0.151%  kept
          HN    LYS+ 111 - QB    PHE   55   8.93 +/- 2.11   4.774% *  1.9891% (0.22   0.23   0.02) =   0.116%  kept
          HN    LEU   63 - QB    PHE   55  11.69 +/- 0.72   1.399% *  0.5300% (0.69   0.02   0.02) =   0.009%
          HZ2   TRP   87 - QB    PHE   55  19.62 +/- 3.31   0.398% *  0.6444% (0.84   0.02   0.02) =   0.003%
          HD21  ASN   28 - QB    PHE   55  22.81 +/- 3.54   0.298% *  0.7446% (0.97   0.02   0.02) =   0.003%
          HN    ALA   84 - QB    PHE   55  18.49 +/- 2.27   0.369% *  0.1718% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.71 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 = 20.3:
      O   HN    PHE   55 - QB    PHE   55   2.05 +/- 0.07  88.885% * 87.2897% (0.73  10.0   3.02  20.54) =  98.410%  kept
          HN    ARG+  54 - QB    PHE   55   4.25 +/- 0.15  10.076% * 12.4296% (0.61   1.0   3.41   4.27) =   1.589%  kept
          HN    ASP-  62 - QB    PHE   55  10.34 +/- 0.68   0.731% *  0.1110% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  23.41 +/- 2.43   0.067% *  0.1160% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  17.68 +/- 2.31   0.183% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  25.47 +/- 2.92   0.057% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.861, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.13 +/- 1.07  75.039% * 36.5548% (0.90   0.02   0.02) =  84.731%  kept
          HN    LYS+  66 - QB    PHE   55  15.01 +/- 0.86  13.975% * 16.7569% (0.41   0.02   0.02) =   7.234%  kept
          HN    LYS+  81 - QB    PHE   55  20.12 +/- 3.28   5.601% * 40.3993% (0.99   0.02   0.02) =   6.990%  kept
          HE3   TRP   27 - QB    PHE   55  20.54 +/- 1.90   5.385% *  6.2891% (0.15   0.02   0.02) =   1.046%  kept
    Distance limit 3.31 A violated in 20 structures by 4.75 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.256, support = 5.79, residual support = 119.6:
      O   HN    ILE   56 - HB    ILE   56   3.13 +/- 0.45  74.289% * 91.3813% (0.25  10.0   5.90 122.27) =  97.754%  kept
          QE    PHE   60 - HB    ILE   56   7.35 +/- 2.48  19.933% *  7.7805% (0.57   1.0   0.75   4.08) =   2.233%  kept
          HN    LEU   63 - HB    ILE   56   9.73 +/- 1.56   4.965% *  0.1250% (0.34   1.0   0.02   0.02) =   0.009%
          HZ2   TRP   87 - HB    ILE   56  20.42 +/- 3.42   0.402% *  0.3665% (1.00   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB    ILE   56  22.64 +/- 4.20   0.409% *  0.3467% (0.95   1.0   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.54, support = 2.11, residual support = 14.2:
          QD    PHE   55 - HB    ILE   56   4.02 +/- 1.26  53.643% * 61.3520% (0.41   2.71  20.17) =  69.483%  kept
          QE    PHE   95 - HB    ILE   56   5.37 +/- 2.07  41.825% * 34.4734% (0.84   0.75   0.57) =  30.441%  kept
          HN    LEU   67 - HB    ILE   56  15.85 +/- 1.74   1.093% *  1.0909% (0.99   0.02   0.02) =   0.025%
          HD1   TRP   49 - HB    ILE   56  14.46 +/- 1.83   1.222% *  0.8411% (0.76   0.02   0.02) =   0.022%
          HN    THR   23 - HB    ILE   56  22.38 +/- 3.53   0.649% *  0.9547% (0.87   0.02   0.02) =   0.013%
          HD2   HIS   22 - HB    ILE   56  23.48 +/- 4.60   0.676% *  0.6675% (0.61   0.02   0.02) =   0.010%
          HE3   TRP   27 - HB    ILE   56  19.67 +/- 2.54   0.613% *  0.3754% (0.34   0.02   0.02) =   0.005%
          HD21  ASN   35 - HB    ILE   56  25.79 +/- 4.49   0.280% *  0.2450% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.54, residual support = 122.3:
      O T QD1   ILE   56 - HB    ILE   56   2.70 +/- 0.48  95.324% * 99.4902% (0.87  10.0 10.00   4.54 122.27) =  99.992%  kept
        T QD2   LEU  123 - HB    ILE   56  12.19 +/- 1.84   1.871% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   73 - HB    ILE   56  13.65 +/- 2.79   1.794% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB    ILE   56  15.88 +/- 1.91   0.739% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    ILE   56  21.84 +/- 3.22   0.271% *  0.0514% (0.45   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 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.97, residual support = 122.3:
      O T QD1   ILE   56 - QG1   ILE   56   1.90 +/- 0.01  97.685% * 98.2187% (0.87  10.0 10.00   3.97 122.27) =  99.988%  kept
        T QD2   LEU   73 - QG1   ILE   56  10.99 +/- 2.62   1.122% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+ 121 - QG1   ILE   56  13.30 +/- 1.09   0.317% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - QG1   ILE   56  10.30 +/- 1.24   0.722% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.00 +/- 2.84   0.154% *  0.0508% (0.45   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 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.95, residual support = 122.3:
        T QG2   ILE   56 - QD1   ILE   56   2.62 +/- 0.57  89.252% * 98.5057% (0.72 10.00   4.95 122.27) =  99.984%  kept
        T QB    ALA   34 - QD1   ILE   56  14.13 +/- 1.46   0.840% *  1.1899% (0.87 10.00   0.02   0.02) =   0.011%
          QB    ALA   91 - QD1   ILE   56   8.78 +/- 1.93   3.871% *  0.0398% (0.29  1.00   0.02   0.02) =   0.002%
          QG2   THR   77 - QD1   ILE   56   8.65 +/- 2.58   4.050% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD1   ILE   56  16.84 +/- 2.94   0.495% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  14.84 +/- 2.04   1.151% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QD1   ILE   56  20.55 +/- 2.72   0.341% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.862, support = 1.84, residual support = 1.83:
          QB    ALA  110 - QD1   ILE   56   5.67 +/- 2.64  26.699% * 43.0585% (0.85  1.00   1.88   2.34) =  51.660%  kept
          QB    ALA   61 - QD1   ILE   56   5.99 +/- 1.24  19.692% * 49.7086% (0.94  1.00   1.95   1.41) =  43.987%  kept
          HB3   LEU  115 - QD1   ILE   56   4.61 +/- 1.17  31.361% *  2.7917% (0.21  1.00   0.49   0.02) =   3.934%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  12.08 +/- 1.48   2.718% *  1.4232% (0.26 10.00   0.02   0.02) =   0.174%  kept
          HG    LEU   73 - QD1   ILE   56  13.22 +/- 3.44   3.854% *  0.3516% (0.65  1.00   0.02   0.02) =   0.061%
          HB3   LEU   67 - QD1   ILE   56  12.40 +/- 1.58   2.125% *  0.5017% (0.93  1.00   0.02   0.02) =   0.048%
          QG    LYS+  66 - QD1   ILE   56  11.80 +/- 1.10   2.001% *  0.4440% (0.82  1.00   0.02   0.02) =   0.040%
          HG    LEU   80 - QD1   ILE   56  16.24 +/- 3.18   1.027% *  0.4725% (0.87  1.00   0.02   0.02) =   0.022%
          HG    LEU   40 - QD1   ILE   56  12.72 +/- 2.10   3.997% *  0.1140% (0.21  1.00   0.02   0.02) =   0.020%
          HG12  ILE   19 - QD1   ILE   56  16.73 +/- 2.23   0.996% *  0.4275% (0.79  1.00   0.02   0.02) =   0.019%
          HB3   LYS+  74 - QD1   ILE   56  13.31 +/- 2.56   1.993% *  0.1276% (0.24  1.00   0.02   0.02) =   0.011%
          HB2   LEU   80 - QD1   ILE   56  15.75 +/- 2.37   1.026% *  0.2104% (0.39  1.00   0.02   0.02) =   0.010%
          HG    LEU   67 - QD1   ILE   56  13.00 +/- 1.52   2.002% *  0.0790% (0.15  1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - QD1   ILE   56  19.74 +/- 1.68   0.510% *  0.2898% (0.54  1.00   0.02   0.02) =   0.007%
    Distance limit 3.24 A violated in 2 structures by 0.64 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.97, residual support = 122.3:
      O T QG1   ILE   56 - QD1   ILE   56   1.90 +/- 0.01  93.475% * 98.9931% (0.85  10.0 10.00   3.97 122.27) =  99.991%  kept
        T HB2   LEU   73 - QD1   ILE   56  13.15 +/- 3.50   0.883% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.006%
          HB3   MET   92 - QD1   ILE   56   7.76 +/- 2.42   3.171% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   ILE   56  10.98 +/- 1.01   0.534% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   9.43 +/- 2.47   1.215% *  0.0341% (0.29   1.0  1.00   0.02   1.93) =   0.000%
          HB    ILE   89 - QD1   ILE   56  12.85 +/- 2.27   0.405% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.95 +/- 1.35   0.172% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.82 +/- 1.42   0.145% *  0.0884% (0.76   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 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.51, residual support = 121.2:
      O T HB    ILE   56 - QD1   ILE   56   2.70 +/- 0.48  81.955% * 89.6225% (0.72  10.0 10.00   4.54 122.27) =  99.114%  kept
          HB3   PRO   58 - QD1   ILE   56   6.54 +/- 0.76   7.272% *  8.8390% (0.85   1.0  1.00   1.68   0.02) =   0.867%  kept
          HB2   MET   92 - QD1   ILE   56   8.76 +/- 2.24   5.432% *  0.1162% (0.94   1.0  1.00   0.02   0.02) =   0.009%
        T HB3   GLN   30 - QD1   ILE   56  17.41 +/- 2.03   0.490% *  1.1623% (0.94   1.0 10.00   0.02   0.02) =   0.008%
          QB    LYS+ 106 - QD1   ILE   56   9.83 +/- 1.21   2.400% *  0.0400% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD1   ILE   56  19.74 +/- 2.58   0.305% *  0.1052% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  13.42 +/- 2.37   0.988% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  15.88 +/- 2.95   0.654% *  0.0362% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.52 +/- 1.93   0.360% *  0.0232% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.42 +/- 5.05   0.144% *  0.0261% (0.21   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 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.69, residual support = 7.89:
        T HA    LYS+ 112 - QD1   ILE   56   4.71 +/- 1.97  54.252% * 99.8368% (0.79 10.00   1.69   7.90) =  99.955%  kept
          HB    THR   46 - QD1   ILE   56   7.76 +/- 2.92  30.093% *  0.0437% (0.29  1.00   0.02   0.02) =   0.024%
          HB2   HIS  122 - QD1   ILE   56  11.59 +/- 1.77  12.987% *  0.0802% (0.54  1.00   0.02   0.02) =   0.019%
          HB2   HIS   22 - QD1   ILE   56  19.14 +/- 4.11   2.669% *  0.0394% (0.26  1.00   0.02   0.02) =   0.002%
    Distance limit 3.27 A violated in 8 structures by 1.55 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.847, support = 3.13, residual support = 11.2:
          HA    ALA  110 - QD1   ILE   56   5.99 +/- 3.56  45.695% * 44.0538% (0.94   2.46   2.34) =  50.134%  kept
          HA    PHE   55 - QD1   ILE   56   5.35 +/- 1.00  36.165% * 55.2976% (0.76   3.82  20.17) =  49.805%  kept
          HA    VAL  107 - QD1   ILE   56   8.06 +/- 1.26   7.380% *  0.1357% (0.36   0.02   0.02) =   0.025%
          HA    GLN   90 - QD1   ILE   56  12.99 +/- 2.41   2.071% *  0.3421% (0.89   0.02   0.02) =   0.018%
          HA    VAL   42 - QD1   ILE   56  10.64 +/- 1.92   5.147% *  0.0805% (0.21   0.02   0.02) =   0.010%
          HA    ALA   91 - QD1   ILE   56  10.74 +/- 2.35   3.542% *  0.0902% (0.24   0.02   0.02) =   0.008%
    Distance limit 3.15 A violated in 0 structures by 0.70 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  10.03 +/- 1.25 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.45 A violated in 20 structures by 6.58 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.293, support = 1.54, residual support = 20.2:
          HN    PHE   59 - QD1   ILE   56   4.18 +/- 0.58  91.703% * 93.0024% (0.29   1.54  20.27) =  99.667%  kept
          HN    HIS  122 - QD1   ILE   56  10.94 +/- 1.37   6.524% *  3.3900% (0.82   0.02   0.02) =   0.258%  kept
          HH2   TRP   87 - QD1   ILE   56  17.35 +/- 3.29   1.773% *  3.6076% (0.87   0.02   0.02) =   0.075%
    Distance limit 3.54 A violated in 1 structures by 0.70 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.52, residual support = 31.0:
          HN    ALA   57 - QD1   ILE   56   3.84 +/- 0.99  72.255% * 98.3375% (0.42   4.53  31.07) =  99.837%  kept
          HE21  GLN  116 - QD1   ILE   56   8.47 +/- 2.51  24.203% *  0.3637% (0.36   0.02   0.02) =   0.124%  kept
          HE21  GLN   90 - QD1   ILE   56  14.83 +/- 2.95   2.696% *  0.9351% (0.91   0.02   0.02) =   0.035%
          HD21  ASN   35 - QD1   ILE   56  20.33 +/- 3.61   0.846% *  0.3637% (0.36   0.02   0.02) =   0.004%
    Distance limit 3.90 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.302, support = 4.85, residual support = 96.0:
          HN    ILE   56 - QD1   ILE   56   3.21 +/- 1.01  58.429% * 65.3587% (0.24   5.87 122.27) =  77.774%  kept
          QE    PHE   60 - QD1   ILE   56   5.13 +/- 2.34  33.369% * 32.6004% (0.54   1.29   4.08) =  22.155%  kept
          HN    LEU   63 - QD1   ILE   56   7.63 +/- 0.85   6.476% *  0.3044% (0.32   0.02   0.02) =   0.040%
          HD21  ASN   28 - QD1   ILE   56  17.77 +/- 3.58   1.050% *  0.8441% (0.89   0.02   0.02) =   0.018%
          HZ2   TRP   87 - QD1   ILE   56  16.65 +/- 3.15   0.676% *  0.8924% (0.95   0.02   0.02) =   0.012%
    Distance limit 3.59 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.72, residual support = 7.86:
          HN    LYS+ 112 - QD1   ILE   56   6.00 +/- 2.26  60.926% * 97.4106% (0.50   1.73   7.90) =  99.479%  kept
          HN    ASP-  78 - QD1   ILE   56  13.04 +/- 3.14  13.188% *  1.3836% (0.61   0.02   0.02) =   0.306%  kept
          HN    VAL   75 - QD1   ILE   56  10.83 +/- 2.28  23.765% *  0.4762% (0.21   0.02   0.02) =   0.190%  kept
          HN    MET   11 - QD1   ILE   56  27.25 +/- 4.79   2.121% *  0.7296% (0.32   0.02   0.02) =   0.026%
    Distance limit 3.79 A violated in 9 structures by 1.84 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 2.99, residual support = 20.2:
        T HB3   PHE   59 - QG1   ILE   56   2.92 +/- 0.54  82.773% * 98.6021% (0.38 10.00   3.00  20.27) =  99.706%  kept
          HB2   PHE   95 - QG1   ILE   56   6.68 +/- 1.67  17.227% *  1.3979% (0.57  1.00   0.19   0.57) =   0.294%  kept
    Distance limit 3.75 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 = 0.381, support = 2.66, residual support = 20.1:
        T HB2   PHE   59 - QG1   ILE   56   3.87 +/- 0.60  47.761% * 71.4130% (0.34 10.00   2.48  20.27) =  85.920%  kept
          QB    PHE   55 - QG1   ILE   56   5.24 +/- 0.47  20.674% * 25.2760% (0.61  1.00   3.98  20.17) =  13.163%  kept
          HB3   CYS   53 - QG1   ILE   56   6.83 +/- 1.23  13.986% *  2.1742% (0.90  1.00   0.23   0.02) =   0.766%  kept
          HD2   ARG+  54 - QG1   ILE   56   9.26 +/- 1.28   4.843% *  0.8409% (0.95  1.00   0.08   0.02) =   0.103%  kept
          HD3   PRO   93 - QG1   ILE   56   7.51 +/- 3.11  11.284% *  0.1520% (0.73  1.00   0.02   0.02) =   0.043%
          HD3   PRO   68 - QG1   ILE   56  13.68 +/- 1.98   1.453% *  0.1438% (0.69  1.00   0.02   0.02) =   0.005%
    Distance limit 4.17 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   9.98 +/- 1.32 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.02 A violated in 20 structures by 5.96 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 = 20.3:
          QD    PHE   59 - QG1   ILE   56   3.48 +/- 0.57  94.355% * 96.4389% (0.34   1.97  20.27) =  99.927%  kept
          HN    HIS  122 - QG1   ILE   56  11.37 +/- 0.88   3.189% *  1.1816% (0.41   0.02   0.02) =   0.041%
          HH2   TRP   87 - QG1   ILE   56  18.29 +/- 3.43   1.031% *  1.3990% (0.49   0.02   0.02) =   0.016%
          HD1   TRP   27 - QG1   ILE   56  18.08 +/- 3.40   1.425% *  0.9804% (0.34   0.02   0.02) =   0.015%
    Distance limit 3.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 4.99, residual support = 121.9:
      O   HN    ILE   56 - HA    ILE   56   2.92 +/- 0.02  85.278% * 96.5019% (0.25  10.0   5.01 122.27) =  99.652%  kept
          QE    PHE   60 - HA    ILE   56   7.43 +/- 1.96  10.753% *  2.6130% (0.57   1.0   0.24   4.08) =   0.340%  kept
          HN    LEU   63 - HA    ILE   56   9.03 +/- 1.24   3.336% *  0.1320% (0.34   1.0   0.02   0.02) =   0.005%
          HD21  ASN   28 - HA    ILE   56  22.87 +/- 4.28   0.378% *  0.3661% (0.95   1.0   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HA    ILE   56  21.77 +/- 3.41   0.255% *  0.3870% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 0.941, support = 5.04, residual support = 25.3:
        T HD2   PRO   58 - QB    ALA   57   2.68 +/- 0.38  65.291% * 97.4764% (0.95 10.00   5.07  25.53) =  99.263%  kept
          HB2   CYS   53 - QB    ALA   57   5.23 +/- 2.49  33.900% *  1.3828% (0.34  1.00   0.79   0.02) =   0.731%  kept
        T HA    VAL   83 - QB    ALA   57  17.26 +/- 2.40   0.319% *  1.0100% (0.98 10.00   0.02   0.02) =   0.005%
          HA    GLU- 100 - QB    ALA   57  21.41 +/- 2.52   0.176% *  0.1021% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  19.73 +/- 2.67   0.314% *  0.0287% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 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   2.24 +/- 0.34  75.485% * 98.4865% (0.18  10.0   4.85  24.13) =  99.949%  kept
          HE21  GLN  116 - QB    ALA   57  10.54 +/- 3.29  21.221% *  0.1252% (0.22   1.0   0.02   0.02) =   0.036%
          HE21  GLN   17 - QB    ALA   57  17.23 +/- 3.63   1.152% *  0.4084% (0.73   1.0   0.02   0.02) =   0.006%
          HN    ALA  120 - QB    ALA   57  11.59 +/- 1.80   1.030% *  0.3184% (0.57   1.0   0.02   0.02) =   0.004%
          HN    ALA  124 - QB    ALA   57  14.46 +/- 2.17   0.429% *  0.4697% (0.84   1.0   0.02   0.02) =   0.003%
          HN    LEU  123 - QB    ALA   57  13.11 +/- 2.24   0.682% *  0.1918% (0.34   1.0   0.02   0.02) =   0.002%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.45, residual support = 24.1:
      O   HN    ALA   57 - HA    ALA   57   2.75 +/- 0.23  94.568% * 99.6015% (0.57  10.0   4.45  24.13) =  99.994%  kept
          HE21  GLN  116 - HA    ALA   57  12.16 +/- 3.30   2.689% *  0.1138% (0.65   1.0   0.02   0.02) =   0.003%
          HN    ALA  120 - HA    ALA   57  13.13 +/- 1.00   0.941% *  0.1698% (0.97   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ALA   57  20.02 +/- 3.89   1.309% *  0.0489% (0.28   1.0   0.02   0.02) =   0.001%
          HN    ALA  124 - HA    ALA   57  16.75 +/- 1.62   0.493% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.1:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.02  83.579% * 98.9094% (0.53  10.0 10.00   2.81  24.13) =  99.989%  kept
          HG3   PRO   93 - HA    ALA   57   8.04 +/- 3.25  12.858% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.005%
          QD    LYS+  65 - HA    ALA   57  10.35 +/- 2.44   1.316% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HA    ALA   57  12.45 +/- 3.08   0.678% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    ALA   57  15.20 +/- 1.30   0.250% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    ALA   57  18.46 +/- 2.43   0.156% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.60 +/- 1.96   0.242% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  21.48 +/- 3.23   0.113% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  15.55 +/- 2.02   0.267% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  14.98 +/- 1.94   0.293% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.74 +/- 3.14   0.112% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  20.58 +/- 3.25   0.136% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 0.02, residual support = 0.02:
          HN    GLN   32 - HB2   PRO   58  23.86 +/- 4.54  12.688% * 37.3861% (1.00   0.02   0.02) =  35.992%  kept
          HN    CYS   53 - HB2   PRO   58  11.56 +/- 1.45  57.724% *  5.7685% (0.15   0.02   0.02) =  25.265%  kept
          HN    ALA   34 - HB2   PRO   58  22.52 +/- 3.71  13.604% * 15.3699% (0.41   0.02   0.02) =  15.865%  kept
          HN    SER   85 - HB2   PRO   58  24.73 +/- 2.08   6.365% * 29.9364% (0.80   0.02   0.02) =  14.457%  kept
          HN    LEU   80 - HB2   PRO   58  21.45 +/- 2.22   9.620% * 11.5391% (0.31   0.02   0.02) =   8.422%  kept
    Distance limit 4.03 A violated in 20 structures by 7.19 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.61, support = 6.2, residual support = 39.8:
      O   HN    PHE   59 - HB3   PRO   58   3.93 +/- 0.38  67.549% * 89.1226% (0.61  10.0   6.29  39.90) =  98.166%  kept
          QE    PHE   59 - HB3   PRO   58   8.12 +/- 1.17  10.265% * 10.1725% (0.83   1.0   1.67  39.90) =   1.703%  kept
          QD    PHE   60 - HB3   PRO   58   7.23 +/- 0.95  13.262% *  0.5679% (0.23   1.0   0.33   0.02) =   0.123%  kept
          HN    LYS+  66 - HB3   PRO   58  10.85 +/- 2.21   4.698% *  0.0938% (0.64   1.0   0.02   0.02) =   0.007%
          HN    HIS  122 - HB3   PRO   58  12.41 +/- 2.56   3.908% *  0.0243% (0.17   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB3   PRO   58  26.06 +/- 4.33   0.318% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 148.0:
      O   HD2   PRO   58 - HG3   PRO   58   2.50 +/- 0.27  97.177% * 99.7269% (0.95  10.0   5.39 147.97) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   58   9.82 +/- 1.86   2.302% *  0.0360% (0.34   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   58  23.89 +/- 2.24   0.129% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  27.12 +/- 2.55   0.096% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  24.52 +/- 3.60   0.296% *  0.0293% (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 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 148.0:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.02  91.094% * 99.2991% (0.76  10.0   4.50 147.97) =  99.990%  kept
          HA    THR   46 - HG3   PRO   58  12.77 +/- 1.96   3.083% *  0.1254% (0.97   1.0   0.02   0.02) =   0.004%
          HA    LEU   40 - HG3   PRO   58  20.15 +/- 2.83   1.710% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HG3   PRO   58  20.09 +/- 3.58   0.941% *  0.1199% (0.92   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  26.34 +/- 4.36   0.877% *  0.1199% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  16.54 +/- 1.51   1.370% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG3   PRO   58  23.79 +/- 2.58   0.548% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   PRO   58  27.51 +/- 4.30   0.377% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.64, residual support = 25.5:
          HN    ALA   57 - HD2   PRO   58   2.25 +/- 1.15  76.218% * 98.6019% (0.54   5.64  25.53) =  99.872%  kept
          HE21  GLN  116 - HD2   PRO   58  10.57 +/- 3.03  20.524% *  0.3992% (0.61   0.02   0.02) =   0.109%  kept
          HN    ALA  120 - HD2   PRO   58  11.98 +/- 1.69   1.966% *  0.5956% (0.91   0.02   0.02) =   0.016%
          HN    ALA  124 - HD2   PRO   58  15.48 +/- 2.27   0.880% *  0.2316% (0.36   0.02   0.02) =   0.003%
          HE21  GLN   17 - HD2   PRO   58  21.38 +/- 3.61   0.411% *  0.1716% (0.26   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.09 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  63.506% * 99.2639% (0.72  10.0   6.52 147.97) =  99.984%  kept
          HA    THR   46 - HD3   PRO   58  10.88 +/- 2.15   4.119% *  0.1254% (0.91   1.0   0.02   0.02) =   0.008%
          HA    GLN   17 - HD3   PRO   58  19.35 +/- 3.64   0.784% *  0.1199% (0.87   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  18.82 +/- 2.53   0.992% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HD3   PRO   58  14.75 +/- 1.61   1.370% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HD3   PRO   58  25.34 +/- 3.93   0.448% *  0.1199% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD3   PRO   58  23.01 +/- 2.79   0.503% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68  11.08 +/- 6.52   8.784% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HD3   PRO   58  26.94 +/- 4.08   0.277% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  13.24 +/- 5.11   3.863% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  17.04 +/- 5.04   3.652% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.33 +/- 3.24   2.458% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.65 +/- 1.96   3.201% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  13.50 +/- 2.49   2.411% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.29 +/- 1.87   2.720% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  18.01 +/- 2.84   0.912% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 4.02, residual support = 25.5:
          HN    ALA   57 - HD3   PRO   58   2.73 +/- 0.84  78.722% * 97.9449% (0.54   4.02  25.53) =  99.889%  kept
          HE21  GLN  116 - HD3   PRO   58  10.12 +/- 3.01  11.131% *  0.5561% (0.61   0.02   0.02) =   0.080%
          HN    ALA  120 - HD3   PRO   58  11.42 +/- 1.32   2.070% *  0.8296% (0.91   0.02   0.02) =   0.022%
          HN    ALA  124 - HD3   PRO   58  14.97 +/- 2.09   0.992% *  0.3226% (0.36   0.02   0.02) =   0.004%
          HE21  GLN   17 - HD3   PRO   58  21.11 +/- 3.74   0.805% *  0.2390% (0.26   0.02   0.02) =   0.002%
          HN    ALA  120 - HD2   PRO   68  14.74 +/- 5.19   1.461% *  0.0367% (0.04   0.02   0.02) =   0.001%
          HN    ALA  124 - HD2   PRO   68  15.06 +/- 6.45   2.213% *  0.0143% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  17.05 +/- 5.00   0.840% *  0.0246% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.28 +/- 4.59   1.229% *  0.0106% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  16.52 +/- 2.52   0.537% *  0.0215% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.5:
          QB    ALA   57 - HD3   PRO   58   3.13 +/- 0.78  66.760% * 96.7335% (0.87   3.30  25.53) =  99.940%  kept
          QD    LYS+  65 - HD3   PRO   58  11.13 +/- 1.95   2.837% *  0.3093% (0.46   0.02   0.02) =   0.014%
          HD2   LYS+  74 - HD3   PRO   58  14.61 +/- 2.39   1.106% *  0.6298% (0.94   0.02   0.02) =   0.011%
          HD3   LYS+ 111 - HD3   PRO   58  14.89 +/- 2.17   1.076% *  0.5698% (0.85   0.02   0.02) =   0.009%
          HB3   LEU  123 - HD3   PRO   58  13.79 +/- 2.28   1.448% *  0.4110% (0.61   0.02   0.02) =   0.009%
          HB2   LYS+ 121 - HD3   PRO   58  13.96 +/- 1.93   1.142% *  0.3343% (0.50   0.02   0.02) =   0.006%
          HB3   LEU  123 - HD2   PRO   68  14.05 +/- 7.33  11.443% *  0.0182% (0.03   0.02   0.02) =   0.003%
          QD    LYS+  33 - HD3   PRO   58  21.61 +/- 3.64   0.275% *  0.4110% (0.61   0.02   0.02) =   0.002%
          HB    VAL   83 - HD3   PRO   58  20.72 +/- 2.04   0.375% *  0.2612% (0.39   0.02   0.02) =   0.002%
          QD    LYS+  38 - HD3   PRO   58  22.35 +/- 3.42   0.323% *  0.1767% (0.26   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD2   PRO   68  12.52 +/- 2.73   1.915% *  0.0279% (0.04   0.02   0.02) =   0.001%
          QB    ALA   57 - HD2   PRO   68  13.48 +/- 2.28   1.709% *  0.0260% (0.04   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   9.80 +/- 0.87   3.097% *  0.0137% (0.02   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   68  14.59 +/- 4.46   2.455% *  0.0148% (0.02   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   68  14.65 +/- 2.81   1.598% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  13.52 +/- 3.41   1.905% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  23.95 +/- 3.38   0.282% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  22.98 +/- 4.07   0.255% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 25.5:
        T QB    ALA   57 - HD2   PRO   58   2.68 +/- 0.38  93.074% * 97.4262% (0.87 10.00   5.07  25.53) =  99.973%  kept
        T QD    LYS+  65 - HD2   PRO   58  10.93 +/- 2.13   2.163% *  0.5137% (0.46 10.00   0.02   0.02) =   0.012%
        T HD2   LYS+  74 - HD2   PRO   58  14.87 +/- 2.65   0.814% *  1.0461% (0.94 10.00   0.02   0.02) =   0.009%
        T HB    VAL   83 - HD2   PRO   58  20.78 +/- 2.12   0.285% *  0.4339% (0.39 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  22.78 +/- 3.44   0.302% *  0.2934% (0.26 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   58  14.24 +/- 2.34   1.258% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HD2   PRO   58  14.58 +/- 2.21   1.117% *  0.0555% (0.50  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   PRO   58  15.29 +/- 1.59   0.600% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   58  22.09 +/- 3.67   0.387% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 148.0:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  97.627% * 99.6708% (0.89  10.0 10.00   7.70 147.97) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   8.32 +/- 1.77   1.283% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  15.93 +/- 2.48   0.166% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  22.13 +/- 2.36   0.056% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.60 +/- 2.39   0.034% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  23.36 +/- 3.23   0.067% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  18.85 +/- 5.86   0.163% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.25 +/- 3.00   0.424% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  24.75 +/- 4.18   0.073% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  18.54 +/- 2.81   0.105% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.7, residual support = 148.0:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.716% * 99.5891% (0.95  10.0 10.00   7.70 147.97) =  99.999%  kept
        T HD2   PRO   68 - HD2   PRO   58  15.93 +/- 2.48   0.168% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD2   PRO   58   8.41 +/- 0.80   0.962% *  0.0446% (0.42   1.0  1.00   0.02   0.81) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.17 +/- 2.07   0.153% *  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 = 0.682, support = 6.59, residual support = 39.9:
          HN    PHE   59 - HD2   PRO   58   3.31 +/- 0.62  90.364% * 86.2324% (0.69   6.64  39.90) =  98.745%  kept
          QE    PHE   59 - HD2   PRO   58   8.18 +/- 1.30   7.516% * 13.0790% (0.32   2.14  39.90) =   1.246%  kept
          HN    HIS  122 - HD2   PRO   58  13.66 +/- 2.33   1.645% *  0.3504% (0.93   0.02   0.02) =   0.007%
          HH2   TRP   87 - HD2   PRO   58  24.11 +/- 4.25   0.476% *  0.3382% (0.89   0.02   0.02) =   0.002%
    Distance limit 3.99 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 = 20.3:
        T QG1   ILE   56 - HB3   PHE   59   2.92 +/- 0.54  98.826% * 99.6917% (0.53 10.00   3.00  20.27) =  99.998%  kept
          HB    ILE   89 - HB3   PHE   59  17.71 +/- 1.61   0.555% *  0.1857% (0.98  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PHE   59  18.74 +/- 2.89   0.619% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 0.49, support = 0.616, residual support = 5.05:
          HB3   ASP-  62 - HB3   PHE   59   5.63 +/- 0.79  41.739% * 62.4029% (0.45   0.75   6.32) =  78.346%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.99 +/- 2.54  32.629% * 13.0827% (0.80   0.09   0.02) =  12.840%  kept
          HB    VAL  107 - HB3   PHE   59   8.31 +/- 1.87  18.358% * 14.7406% (0.38   0.21   1.25) =   8.140%  kept
          HB3   PHE   45 - HB3   PHE   59  12.19 +/- 1.44   5.041% *  2.9721% (0.80   0.02   0.02) =   0.451%  kept
          HB3   ASP-  86 - HB3   PHE   59  21.12 +/- 3.31   1.571% *  3.2196% (0.87   0.02   0.02) =   0.152%  kept
          HG2   GLU-  29 - HB3   PHE   59  24.68 +/- 3.73   0.663% *  3.5821% (0.97   0.02   0.02) =   0.071%
    Distance limit 4.01 A violated in 3 structures by 0.96 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.48, residual support = 20.3:
        T QG1   ILE   56 - HB2   PHE   59   3.87 +/- 0.60  93.232% * 99.0024% (0.18 10.00   2.48  20.27) =  99.986%  kept
          HB    VAL   43 - HB2   PHE   59  13.40 +/- 2.08   2.704% *  0.1928% (0.34  1.00   0.02   0.02) =   0.006%
          HB    ILE   89 - HB2   PHE   59  18.88 +/- 1.82   0.881% *  0.3657% (0.65  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HB2   PHE   59  18.67 +/- 2.46   1.168% *  0.1410% (0.25  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HB2   PHE   59  19.06 +/- 3.00   1.106% *  0.1410% (0.25  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HB2   PHE   59  21.90 +/- 3.21   0.909% *  0.1572% (0.28  1.00   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 57.8:
      O   HN    PHE   59 - HB3   PHE   59   2.33 +/- 0.32  98.372% * 99.4232% (0.31  10.0   4.97  57.85) =  99.995%  kept
          HN    HIS  122 - HB3   PHE   59  10.35 +/- 0.88   1.431% *  0.2794% (0.87   1.0   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   PHE   59  22.29 +/- 4.33   0.197% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.16 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 = 4.31, residual support = 57.9:
      O   HN    PHE   59 - HB2   PHE   59   2.64 +/- 0.48  77.151% * 93.3107% (1.00  10.0   4.36  57.85) =  98.308%  kept
          QE    PHE   59 - HB2   PHE   59   4.50 +/- 0.05  18.881% *  6.5548% (0.80   1.0   1.75  57.85) =   1.690%  kept
          HN    HIS  122 - HB2   PHE   59   9.67 +/- 1.17   1.998% *  0.0566% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   PHE   59  10.56 +/- 1.11   1.790% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  23.25 +/- 4.54   0.180% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.31:
          HB2   ASP-  62 - HA    PHE   59   3.65 +/- 0.62  93.298% * 97.0773% (0.99  1.00   1.50   6.32) =  99.864%  kept
        T QB    ASP- 113 - HA    PHE   59  10.86 +/- 1.23   4.913% *  2.2871% (0.18 10.00   0.02   0.02) =   0.124%  kept
          HB2   PRO   52 - HA    PHE   59  14.60 +/- 1.31   1.788% *  0.6357% (0.49  1.00   0.02   0.02) =   0.013%
    Distance limit 3.67 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.176, support = 2.94, residual support = 6.28:
          HB3   ASP-  62 - HA    PHE   59   3.65 +/- 1.05  72.971% * 85.4423% (0.18  1.00   2.96   6.32) =  99.359%  kept
          HG3   GLN  116 - HA    PHE   59   7.80 +/- 2.20  23.053% *  1.1256% (0.34  1.00   0.02   0.50) =   0.413%  kept
        T HB3   TRP   87 - HA    PHE   59  21.56 +/- 3.27   0.856% *  9.1744% (0.28 10.00   0.02   0.02) =   0.125%  kept
          HG2   GLU-  36 - HA    PHE   59  23.57 +/- 3.39   1.284% *  2.5217% (0.76  1.00   0.02   0.02) =   0.052%
          HG3   MET   96 - HA    PHE   59  15.50 +/- 1.79   1.836% *  1.7360% (0.53  1.00   0.02   0.02) =   0.051%
    Distance limit 3.92 A violated in 2 structures by 0.23 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.9, residual support = 57.9:
      O   HN    PHE   59 - HA    PHE   59   2.79 +/- 0.10  76.336% * 92.6365% (1.00  10.0   4.96  57.85) =  98.236%  kept
          QE    PHE   59 - HA    PHE   59   4.64 +/- 0.33  17.530% *  7.2300% (0.80   1.0   1.95  57.85) =   1.761%  kept
          HN    HIS  122 - HA    PHE   59   9.07 +/- 1.35   2.821% *  0.0562% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   8.79 +/- 1.51   3.159% *  0.0286% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HA    PHE   59  24.22 +/- 4.56   0.155% *  0.0487% (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 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.03, residual support = 20.0:
          HN    PHE   60 - HB3   PHE   59   2.64 +/- 0.49  84.699% * 98.7621% (0.61   4.03  19.98) =  99.960%  kept
          HN    THR  118 - HB3   PHE   59   7.67 +/- 0.95   5.561% *  0.3035% (0.38   0.02  12.65) =   0.020%
          HN    GLN  116 - HB3   PHE   59   6.29 +/- 1.12   9.357% *  0.1416% (0.18   0.02   0.50) =   0.016%
          HN    GLU-  15 - HB3   PHE   59  21.87 +/- 2.69   0.383% *  0.7927% (0.98   0.02   0.02) =   0.004%
    Distance limit 3.87 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 = 0.972, support = 3.86, residual support = 70.7:
          QD    PHE   60 - HA    PHE   60   2.94 +/- 0.66  67.410% * 91.3075% (1.00   3.95  72.53) =  96.538%  kept
          QE    PHE   59 - HA    PHE   60   5.36 +/- 1.63  27.425% *  7.9858% (0.25   1.38  19.98) =   3.435%  kept
          HN    LYS+  66 - HA    PHE   60   7.55 +/- 0.79   4.852% *  0.3361% (0.73   0.02   0.02) =   0.026%
          HN    LYS+  81 - HA    PHE   60  19.36 +/- 2.71   0.313% *  0.3706% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.22 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 72.5:
      O   HN    PHE   60 - HA    PHE   60   2.81 +/- 0.09  92.953% * 99.7483% (0.61  10.0   4.92  72.53) =  99.996%  kept
          HN    THR  118 - HA    PHE   60   9.79 +/- 1.55   3.394% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLU-  15 - HA    PHE   60  18.92 +/- 3.06   0.669% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HA    PHE   60   9.51 +/- 1.33   2.983% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 3.71 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  93.448% * 99.5823% (0.84  10.0   5.00  41.63) =  99.995%  kept
          HN    ALA   91 - HA    PHE   60  15.75 +/- 2.29   1.448% *  0.1069% (0.90   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    PHE   60  17.19 +/- 2.71   1.289% *  0.1182% (0.99   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    PHE   60  16.50 +/- 2.17   1.258% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  20.67 +/- 4.55   0.824% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  18.55 +/- 3.46   0.912% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  19.41 +/- 3.17   0.822% *  0.0184% (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 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.816, support = 0.617, residual support = 2.4:
          HA    ASP-  44 - HB2   PHE   60   5.94 +/- 1.86  33.647% * 70.1259% (1.00   0.59   3.04) =  77.891%  kept
          HA    ALA   57 - HB2   PHE   60   4.90 +/- 1.75  46.180% * 13.8042% (0.15   0.75   0.16) =  21.044%  kept
          HB    THR   77 - HB2   PHE   60  12.09 +/- 2.37   4.983% *  2.3385% (0.98   0.02   0.02) =   0.385%  kept
          HA    ILE  103 - HB2   PHE   60  16.29 +/- 2.64   1.902% *  2.2023% (0.92   0.02   0.02) =   0.138%  kept
          HA    GLU-  79 - HB2   PHE   60  16.47 +/- 2.67   3.006% *  1.3507% (0.57   0.02   0.02) =   0.134%  kept
          HA1   GLY   51 - HB2   PHE   60  13.95 +/- 1.80   3.562% *  0.8954% (0.38   0.02   0.02) =   0.105%  kept
          HA    GLU-  14 - HB2   PHE   60  21.33 +/- 3.65   2.341% *  0.9808% (0.41   0.02   0.02) =   0.076%
          HA    SER   85 - HB2   PHE   60  20.65 +/- 3.35   0.793% *  2.3385% (0.98   0.02   0.02) =   0.061%
          HA    THR   39 - HB2   PHE   60  17.40 +/- 2.13   1.463% *  1.1613% (0.49   0.02   0.02) =   0.056%
          HA    MET   11 - HB2   PHE   60  27.57 +/- 4.93   0.631% *  2.3858% (1.00   0.02   0.02) =   0.050%
          HA    ASP-  86 - HB2   PHE   60  20.86 +/- 3.80   0.805% *  1.1613% (0.49   0.02   0.02) =   0.031%
          HA    ALA   12 - HB2   PHE   60  25.60 +/- 4.19   0.686% *  1.2552% (0.53   0.02   0.02) =   0.028%
    Distance limit 3.99 A violated in 3 structures by 0.58 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.5:
      O   QD    PHE   60 - HB2   PHE   60   2.47 +/- 0.17  94.712% * 99.7759% (0.76  10.0   3.76  72.53) =  99.998%  kept
          HN    LYS+  66 - HB2   PHE   60   9.07 +/- 0.80   2.314% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  18.37 +/- 3.13   0.395% *  0.1294% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   PHE   60  10.03 +/- 1.29   1.688% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  13.59 +/- 2.39   0.891% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 41.6:
          HN    ALA   61 - HB2   PHE   60   3.15 +/- 0.56  94.089% * 95.7296% (0.38   4.89  41.63) =  99.958%  kept
          HN    TRP   27 - HB2   PHE   60  17.18 +/- 2.69   1.111% *  0.8359% (0.80   0.02   0.02) =   0.010%
          HN    THR   39 - HB2   PHE   60  17.77 +/- 2.45   0.939% *  0.9637% (0.92   0.02   0.02) =   0.010%
          HD1   TRP   87 - HB2   PHE   60  17.51 +/- 3.34   0.756% *  0.9363% (0.90   0.02   0.02) =   0.008%
          HN    ALA   91 - HB2   PHE   60  14.19 +/- 2.24   1.287% *  0.4680% (0.45   0.02   0.02) =   0.007%
          HN    GLU-  36 - HB2   PHE   60  20.53 +/- 3.21   0.622% *  0.5493% (0.53   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HB2   PHE   60  20.11 +/- 2.91   0.559% *  0.3561% (0.34   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB2   PHE   60  19.69 +/- 4.51   0.637% *  0.1611% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.79, residual support = 72.5:
      O   HN    PHE   60 - HB2   PHE   60   2.80 +/- 0.67  91.543% * 99.7483% (0.61  10.0   4.79  72.53) =  99.993%  kept
          HN    GLU-  15 - HB2   PHE   60  20.11 +/- 3.82   2.579% *  0.1612% (0.98   1.0   0.02   0.02) =   0.005%
          HN    THR  118 - HB2   PHE   60  10.86 +/- 1.70   2.611% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HB2   PHE   60  10.17 +/- 1.64   3.267% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.988, support = 2.87, residual support = 8.85:
        T QD1   LEU   63 - HA    PHE   60   3.35 +/- 1.24  45.690% * 73.5427% (1.00 10.00   3.18   9.68) =  86.645%  kept
        T QD1   LEU   73 - HA    PHE   60   9.76 +/- 3.18  20.093% * 20.1019% (1.00 10.00   0.55   1.96) =  10.415%  kept
          QD2   LEU   63 - HA    PHE   60   4.50 +/- 1.19  24.089% *  4.2209% (0.57  1.00   2.03   9.68) =   2.622%  kept
          QD2   LEU  115 - HA    PHE   60   6.53 +/- 0.99   7.023% *  1.6464% (0.84  1.00   0.54   0.02) =   0.298%  kept
        T QD1   LEU  104 - HA    PHE   60  13.33 +/- 3.02   1.656% *  0.4164% (0.57 10.00   0.02   0.02) =   0.018%
          QD2   LEU   80 - HA    PHE   60  14.85 +/- 2.43   0.844% *  0.0589% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    PHE   60  14.95 +/- 2.30   0.604% *  0.0129% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.921, support = 1.5, residual support = 9.66:
        T HB2   LEU   63 - HA    PHE   60   3.03 +/- 0.93  53.454% * 98.1478% (0.92 10.00   1.50   9.68) =  99.782%  kept
          HB3   LEU   73 - HA    PHE   60  10.69 +/- 2.97  10.350% *  0.6992% (0.15  1.00   0.64   1.96) =   0.138%  kept
          HB3   ASP-  44 - HA    PHE   60   6.07 +/- 1.90  13.693% *  0.1390% (0.98  1.00   0.02   3.04) =   0.036%
          HB3   PRO   93 - HA    PHE   60   7.89 +/- 2.39  11.752% *  0.1230% (0.87  1.00   0.02   0.02) =   0.027%
          HB2   LEU   31 - HA    PHE   60  17.14 +/- 3.68   3.360% *  0.0974% (0.69  1.00   0.02   0.02) =   0.006%
          QB    ALA  124 - HA    PHE   60  13.69 +/- 1.50   0.974% *  0.1414% (1.00  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    PHE   60  14.89 +/- 2.27   0.736% *  0.1368% (0.97  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HA    PHE   60  16.03 +/- 2.06   0.533% *  0.1271% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    PHE   60  11.29 +/- 1.58   2.046% *  0.0316% (0.22  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    PHE   60  14.59 +/- 2.21   0.709% *  0.0860% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    PHE   60  17.37 +/- 2.78   0.429% *  0.1184% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  14.05 +/- 2.41   0.754% *  0.0438% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  18.33 +/- 3.22   0.432% *  0.0484% (0.34  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  18.96 +/- 3.41   0.536% *  0.0353% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.39 +/- 2.90   0.242% *  0.0248% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.467, support = 0.749, residual support = 0.491:
        T QG2   VAL   18 - HA    ALA   61   9.33 +/- 4.83  20.601% * 54.7977% (0.34 10.00   0.78   0.47) =  64.422%  kept
          QD2   LEU   73 - HA    ALA   61   7.77 +/- 2.35  23.755% * 11.2643% (0.87  1.00   0.63   0.16) =  15.271%  kept
          QD1   ILE   56 - HA    ALA   61   7.84 +/- 1.37  13.424% * 13.9388% (0.61  1.00   1.11   1.41) =  10.678%  kept
        T QG1   VAL   41 - HA    ALA   61  12.17 +/- 1.94   5.278% * 16.2210% (0.76 10.00   0.10   0.02) =   4.885%  kept
          QG2   THR   46 - HA    ALA   61   7.70 +/- 3.54  25.301% *  3.1461% (0.25  1.00   0.61   0.27) =   4.543%  kept
          HG    LEU   31 - HA    ALA   61  15.71 +/- 3.38   4.920% *  0.3984% (0.97  1.00   0.02   0.02) =   0.112%  kept
          QG1   VAL   43 - HA    ALA   61  10.17 +/- 0.94   6.722% *  0.2337% (0.57  1.00   0.02   0.02) =   0.090%
    Distance limit 3.02 A violated in 14 structures by 1.86 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.47, residual support = 6.89:
        T QB    ALA   64 - HA    ALA   61   3.18 +/- 0.63  82.251% * 98.7496% (0.34 10.00   2.47   6.90) =  99.842%  kept
        T QG1   VAL   75 - HA    ALA   61   7.74 +/- 1.37  10.743% *  1.0865% (0.38 10.00   0.02   0.02) =   0.143%  kept
          QD1   LEU  115 - HA    ALA   61   8.77 +/- 1.49   7.007% *  0.1639% (0.57  1.00   0.02   0.02) =   0.014%
    Distance limit 3.41 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.9:
          HN    ALA   64 - HA    ALA   61   3.68 +/- 0.34 100.000% *100.0000% (0.84   0.75   6.90) = 100.000%  kept
    Distance limit 4.14 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 = 2.76, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.77 +/- 0.05  96.410% * 98.9218% (0.38  10.0   2.76  17.92) =  99.994%  kept
          HN    THR   39 - HA    ALA   61  17.29 +/- 2.71   0.631% *  0.2433% (0.92   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ALA   61  16.27 +/- 2.67   0.713% *  0.2111% (0.80   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    ALA   61  19.06 +/- 3.32   0.392% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  15.98 +/- 2.58   0.735% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  19.69 +/- 3.53   0.454% *  0.1387% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    ALA   61  21.50 +/- 3.18   0.256% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  21.66 +/- 4.92   0.409% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.72, support = 3.75, residual support = 71.2:
      O   QD    PHE   60 - HB3   PHE   60   2.49 +/- 0.15  69.760% * 87.7658% (0.73  10.0   3.79  72.53) =  97.385%  kept
          QE    PHE   59 - HB3   PHE   60   6.13 +/- 2.08  19.415% *  5.2361% (0.65   1.0   1.34  19.98) =   1.617%  kept
          HN    PHE   59 - HB3   PHE   60   5.11 +/- 0.61   9.160% *  6.8321% (0.28   1.0   4.07  19.98) =   0.995%  kept
          HN    LYS+  66 - HB3   PHE   60   9.36 +/- 0.81   1.423% *  0.1206% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  18.55 +/- 3.09   0.241% *  0.0454% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 72.5:
      O   HN    PHE   60 - HB3   PHE   60   2.49 +/- 0.47  99.445% * 99.5797% (0.20  10.0   4.92  72.53) =  99.998%  kept
          HN    GLU-  15 - HB3   PHE   60  20.42 +/- 3.63   0.555% *  0.4203% (0.84   1.0   0.02   0.02) =   0.002%
    Distance limit 3.28 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 = 0.856, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  17.58 +/- 3.38  25.642% * 23.9067% (0.95   0.02   0.02) =  31.068%  kept
          HN    THR   39 - HB3   PHE   60  17.85 +/- 2.45  21.070% * 23.3294% (0.92   0.02   0.02) =  24.913%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.03 +/- 3.23  16.799% * 20.2366% (0.80   0.02   0.02) =  17.229%  kept
          HN    GLU-  36 - HB3   PHE   60  20.67 +/- 3.30  14.001% * 23.9067% (0.95   0.02   0.02) =  16.964%  kept
          HN    TRP   27 - HB3   PHE   60  17.72 +/- 2.78  22.489% *  8.6206% (0.34   0.02   0.02) =   9.826%  kept
    Distance limit 3.73 A violated in 20 structures by 9.70 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.3, residual support = 5.52:
          HA    LYS+  81 - QB    ALA   84   2.16 +/- 0.16  98.326% * 58.7161% (0.33  1.00   2.31   5.53) =  99.862%  kept
        T HA    ASN   28 - QB    ALA   84  17.85 +/- 4.92   0.355% * 13.7775% (0.89 10.00   0.02   0.02) =   0.085%
        T HA    ALA   34 - QB    ALA   84  21.24 +/- 3.65   0.134% * 11.4061% (0.74 10.00   0.02   0.02) =   0.026%
        T HA    ALA  124 - QB    ALA   84  27.87 +/- 2.05   0.049% * 11.4061% (0.74 10.00   0.02   0.02) =   0.010%
          HA    ARG+  54 - QB    ALA   84  15.53 +/- 1.93   0.339% *  1.2946% (0.84  1.00   0.02   0.02) =   0.008%
          HA    LEU  115 - QB    ALA   84  18.48 +/- 1.94   0.172% *  1.3385% (0.87  1.00   0.02   0.02) =   0.004%
          HA1   GLY  101 - QB    ALA   84  20.27 +/- 5.09   0.193% *  0.8450% (0.55  1.00   0.02   0.02) =   0.003%
          HA    GLU- 114 - QB    ALA   84  20.17 +/- 2.65   0.145% *  0.6136% (0.40  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - QB    ALA   84  20.24 +/- 5.15   0.215% *  0.2303% (0.15  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   84  25.20 +/- 3.72   0.074% *  0.3722% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.291, support = 1.92, residual support = 16.1:
          HA    SER   85 - QB    ALA   84   3.76 +/- 0.04  52.063% * 37.2636% (0.15  1.00   2.33  20.71) =  77.571%  kept
          HA    ASP-  86 - QB    ALA   84   6.45 +/- 0.11  10.306% * 49.7946% (0.84  1.00   0.55   0.02) =  20.519%  kept
          HA    TRP   87 - QB    ALA   84   6.65 +/- 0.49  10.455% *  2.4079% (0.27  1.00   0.08   0.02) =   1.007%  kept
        T HA    ASP-  44 - QB    ALA   84  11.90 +/- 2.37   2.921% *  4.1041% (0.19 10.00   0.02   0.02) =   0.479%  kept
          HB    THR   77 - QB    ALA   84   6.71 +/- 2.45  22.243% *  0.3200% (0.15  1.00   0.02   0.02) =   0.285%  kept
          HA    LEU  104 - QB    ALA   84  20.27 +/- 4.27   0.875% *  2.0014% (0.93  1.00   0.02   0.02) =   0.070%
          HA    GLU-  14 - QB    ALA   84  25.85 +/- 5.77   0.551% *  1.9144% (0.89  1.00   0.02   0.02) =   0.042%
          HA    ALA   12 - QB    ALA   84  29.11 +/- 5.62   0.318% *  1.7322% (0.81  1.00   0.02   0.02) =   0.022%
          HA    MET   11 - QB    ALA   84  30.34 +/- 5.55   0.268% *  0.4617% (0.21  1.00   0.02   0.02) =   0.005%
    Distance limit 3.36 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.15, residual support = 17.7:
      O   HN    ALA   84 - QB    ALA   84   1.99 +/- 0.05  95.815% * 98.8488% (0.30  10.0   4.15  17.71) =  99.991%  kept
          HZ2   TRP   87 - QB    ALA   84   8.79 +/- 1.54   2.446% *  0.2326% (0.70   1.0   0.02   0.02) =   0.006%
          HD21  ASN   28 - QB    ALA   84  16.28 +/- 5.35   0.567% *  0.2872% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ILE   56 - QB    ALA   84  15.87 +/- 1.99   0.218% *  0.2200% (0.66   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    ALA   84  17.51 +/- 1.86   0.169% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.20 +/- 2.35   0.518% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  16.68 +/- 3.22   0.268% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.768, support = 3.95, residual support = 20.5:
          HN    SER   85 - QB    ALA   84   2.60 +/- 0.12  88.555% * 90.4712% (0.77   3.98  20.71) =  98.922%  kept
          HN    LEU   80 - QB    ALA   84   5.57 +/- 0.65  10.068% *  8.6409% (0.30   0.99   0.02) =   1.074%  kept
          HN    GLN   32 - QB    ALA   84  20.67 +/- 4.39   0.301% *  0.5672% (0.97   0.02   0.02) =   0.002%
          HN    CYS   53 - QB    ALA   84  13.80 +/- 2.32   0.835% *  0.0875% (0.15   0.02   0.02) =   0.001%
          HN    ALA   34 - QB    ALA   84  21.07 +/- 3.82   0.242% *  0.2332% (0.40   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 0.747, support = 1.11, residual support = 14.3:
          HN    ALA  124 - QB    ALA  120   3.35 +/- 0.17  66.830% * 34.7080% (0.57   1.04   1.42) =  52.400%  kept
          HN    LEU  123 - QB    ALA  120   4.32 +/- 0.25  32.665% * 64.4909% (0.94   1.18  28.39) =  47.590%  kept
          HE21  GLN   17 - QB    ALA  120  18.98 +/- 3.34   0.505% *  0.8011% (0.69   0.02   0.02) =   0.009%
    Distance limit 2.87 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 1.97, residual support = 5.14:
        T HA    SER  117 - QB    ALA  120   3.44 +/- 0.51  92.648% * 99.0961% (0.54 10.00   1.97   5.14) =  99.989%  kept
        T HB    THR   26 - QB    ALA  120  22.21 +/- 4.85   0.994% *  0.3956% (0.21 10.00   0.02   0.02) =   0.004%
          HA    ALA   57 - QB    ALA  120  12.74 +/- 1.03   1.989% *  0.1681% (0.89  1.00   0.02   0.02) =   0.004%
          HA    THR   39 - QB    ALA  120  16.25 +/- 4.20   1.381% *  0.1006% (0.54  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - QB    ALA  120  19.23 +/- 2.10   0.584% *  0.1220% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QB    ALA  120  15.86 +/- 3.72   2.005% *  0.0311% (0.17  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    ALA  120  23.91 +/- 2.54   0.399% *  0.0865% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.01, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.04 +/- 0.09  94.313% * 99.3531% (0.97  10.0   4.01  17.92) =  99.996%  kept
          HN    ALA   91 - QB    ALA  110  10.81 +/- 3.48   1.541% *  0.0755% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - QB    ALA  110  11.49 +/- 2.49   0.816% *  0.0735% (0.71   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - QB    ALA   61  14.72 +/- 2.84   0.580% *  0.0923% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - QB    ALA   61  13.30 +/- 2.05   0.447% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.90 +/- 3.01   0.679% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.81 +/- 2.61   0.362% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  18.42 +/- 4.01   0.254% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.38 +/- 3.24   0.595% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  21.80 +/- 3.12   0.102% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  16.33 +/- 2.56   0.227% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.09 +/- 2.22   0.084% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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   2.61 +/- 0.31  86.756% * 99.6796% (0.87  10.0   2.12   9.58) =  99.993%  kept
          HN    PHE   45 - QB    ALA   61   8.28 +/- 1.38   3.579% *  0.0550% (0.48   1.0   0.02   0.02) =   0.002%
          HN    PHE   45 - QB    ALA  110  10.01 +/- 2.28   2.401% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   61  12.32 +/- 2.39   1.749% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA   61   8.04 +/- 0.98   3.691% *  0.0236% (0.21   1.0   0.02   0.23) =   0.001%
          HN    ASP-  44 - QB    ALA  110  12.74 +/- 2.10   1.014% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  16.39 +/- 3.17   0.626% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  22.82 +/- 4.01   0.184% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 2.76, residual support = 8.09:
          HN    ASP-  62 - QB    ALA   61   2.73 +/- 0.30  77.448% * 79.1292% (1.00   2.79   8.20) =  98.620%  kept
          HN    PHE   55 - QB    ALA   61   8.47 +/- 1.65   4.174% *  7.8393% (0.45   0.61   0.02) =   0.527%  kept
          HN    PHE   55 - QB    ALA  110   8.45 +/- 2.15   5.131% *  6.1466% (0.33   0.65   0.65) =   0.508%  kept
          HN    ARG+  54 - QB    ALA   61   8.27 +/- 2.13   5.549% *  1.8902% (0.87   0.08   0.02) =   0.169%  kept
          HN    ARG+  54 - QB    ALA  110   9.46 +/- 1.88   2.918% *  3.1975% (0.64   0.18   0.02) =   0.150%  kept
          HN    LEU   31 - QB    ALA   61  14.98 +/- 2.96   1.033% *  0.5576% (0.98   0.02   0.02) =   0.009%
          HN    ASP-  62 - QB    ALA  110  12.47 +/- 2.21   1.220% *  0.4200% (0.74   0.02   0.02) =   0.008%
          HN    LYS+  38 - QB    ALA   61  17.12 +/- 3.49   2.171% *  0.2339% (0.41   0.02   0.02) =   0.008%
          HN    LEU   31 - QB    ALA  110  21.54 +/- 2.58   0.195% *  0.4126% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  38 - QB    ALA  110  23.33 +/- 2.42   0.161% *  0.1731% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.793, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  20.05 +/- 3.19  27.687% * 28.1529% (1.00   0.02   0.02) =  37.011%  kept
          HA    GLU-  14 - HB2   ASP-  62  20.29 +/- 2.62  25.283% * 21.5631% (0.76   0.02   0.02) =  25.887%  kept
          HA    ALA   12 - HB2   ASP-  62  24.24 +/- 3.85  16.599% * 18.2527% (0.65   0.02   0.02) =  14.386%  kept
          HA    ASP-  86 - HB2   ASP-  62  25.55 +/- 3.60  13.882% * 19.3814% (0.69   0.02   0.02) =  12.776%  kept
          HA    TRP   87 - HB2   ASP-  62  24.64 +/- 4.00  16.549% * 12.6499% (0.45   0.02   0.02) =   9.940%  kept
    Distance limit 3.56 A violated in 20 structures by 12.54 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  25.25 +/- 3.79  14.050% * 70.6236% (0.67 10.00   0.02   0.02) =  59.780%  kept
          HA    LEU  104 - HB3   ASP-  62  19.68 +/- 3.13  28.189% * 10.2586% (0.98  1.00   0.02   0.02) =  17.422%  kept
          HA    GLU-  14 - HB3   ASP-  62  20.20 +/- 2.41  24.465% *  7.8573% (0.75  1.00   0.02   0.02) =  11.581%  kept
          HA    ALA   12 - HB3   ASP-  62  24.21 +/- 3.81  16.013% *  6.6511% (0.63  1.00   0.02   0.02) =   6.417%  kept
          HA    TRP   87 - HB3   ASP-  62  24.31 +/- 4.21  17.283% *  4.6095% (0.44  1.00   0.02   0.02) =   4.800%  kept
    Distance limit 3.29 A violated in 20 structures by 12.56 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 = 4.16:
          HN    LYS+  65 - HA    ASP-  62   3.80 +/- 0.38 100.000% *100.0000% (0.15   1.10   4.16) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.18 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   2.77 +/- 0.06  95.250% * 99.7294% (1.00  10.0   3.83  40.99) =  99.997%  kept
          HN    ARG+  54 - HA    ASP-  62  12.91 +/- 1.95   1.219% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HA    ASP-  62  19.69 +/- 3.66   1.695% *  0.0411% (0.41   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  18.22 +/- 3.82   0.696% *  0.0980% (0.98   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  12.71 +/- 1.49   1.140% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.39 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 = 42.2:
          HN    LEU   63 - HB2   ASP-  62   3.39 +/- 0.59  88.594% * 96.9908% (0.97   5.24  42.28) =  99.847%  kept
          HN    ILE   56 - HB2   ASP-  62   9.76 +/- 1.08   5.782% *  2.0873% (0.90   0.12   0.02) =   0.140%  kept
          HD21  ASN   28 - HB2   ASP-  62  20.58 +/- 5.06   1.656% *  0.2637% (0.69   0.02   0.02) =   0.005%
          HN    LYS+ 111 - HB2   ASP-  62  14.84 +/- 2.50   2.024% *  0.2020% (0.53   0.02   0.02) =   0.005%
          HN    ALA   84 - HB2   ASP-  62  22.41 +/- 2.33   0.422% *  0.2020% (0.53   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB2   ASP-  62  24.02 +/- 4.60   0.407% *  0.1869% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB2   ASP-  62  25.37 +/- 5.66   1.116% *  0.0672% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.01 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   2.53 +/- 0.31  97.850% * 99.6462% (0.69  10.0   3.83  40.99) =  99.997%  kept
          HN    ARG+  54 - HB2   ASP-  62  12.23 +/- 1.52   1.066% *  0.1400% (0.97   1.0   0.02   0.02) =   0.002%
          HN    LYS+  38 - HB2   ASP-  62  20.42 +/- 3.75   0.523% *  0.1258% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB2   ASP-  62  19.31 +/- 3.98   0.561% *  0.0880% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 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   3.21 +/- 0.55  91.228% * 98.7114% (0.95   5.24  42.28) =  99.972%  kept
          HN    ILE   56 - HB3   ASP-  62   9.62 +/- 1.24   4.940% *  0.3504% (0.88   0.02   0.02) =   0.019%
          HD21  ASN   28 - HB3   ASP-  62  20.25 +/- 5.16   1.057% *  0.2684% (0.67   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HB3   ASP-  62  14.69 +/- 2.12   1.260% *  0.2056% (0.52   0.02   0.02) =   0.003%
          HN    ALA   84 - HB3   ASP-  62  22.17 +/- 2.38   0.491% *  0.2056% (0.52   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB3   ASP-  62  23.62 +/- 4.78   0.498% *  0.1902% (0.48   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  25.16 +/- 5.60   0.527% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.04 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   2.52 +/- 0.41  94.205% * 99.7294% (0.98  10.0   3.83  40.99) =  99.996%  kept
          HN    LYS+  38 - HB3   ASP-  62  20.17 +/- 3.79   2.641% *  0.0411% (0.40   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB3   ASP-  62  12.08 +/- 1.86   1.236% *  0.0867% (0.85   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HB3   ASP-  62  11.47 +/- 1.54   1.323% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  19.00 +/- 4.08   0.595% *  0.0980% (0.96   1.0   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.823, support = 2.71, residual support = 5.3:
          QB    LYS+  66 - HA    LEU   63   4.37 +/- 0.95  46.665% * 51.4088% (1.00   2.19   6.48) =  59.268%  kept
          QB    LYS+  65 - HA    LEU   63   4.94 +/- 0.92  35.537% * 46.2356% (0.57   3.48   3.59) =  40.593%  kept
          HG    LEU  123 - HA    LEU   63  10.70 +/- 3.47   8.321% *  0.2655% (0.57   0.02   0.02) =   0.055%
          HG2   PRO   93 - HA    LEU   63  13.46 +/- 2.96   2.553% *  0.4205% (0.90   0.02   0.02) =   0.027%
          HB    VAL   41 - HA    LEU   63  12.93 +/- 2.44   2.145% *  0.4436% (0.95   0.02   0.02) =   0.024%
          HB2   LEU   71 - HA    LEU   63  11.65 +/- 1.38   2.504% *  0.2467% (0.53   0.02   0.02) =   0.015%
          HG12  ILE  103 - HA    LEU   63  17.19 +/- 3.50   0.881% *  0.3917% (0.84   0.02   0.02) =   0.009%
          QB    LYS+ 102 - HA    LEU   63  19.01 +/- 3.57   0.775% *  0.3221% (0.69   0.02   0.02) =   0.006%
          HB3   PRO   52 - HA    LEU   63  18.10 +/- 1.72   0.620% *  0.2655% (0.57   0.02   0.02) =   0.004%
    Distance limit 3.33 A violated in 0 structures by 0.51 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.569, support = 2.05, residual support = 6.74:
          HN    LYS+  66 - HA    LEU   63   3.65 +/- 0.38  68.783% * 55.6291% (0.53   2.22   6.48) =  87.471%  kept
          QD    PHE   60 - HA    LEU   63   6.79 +/- 0.59  12.070% * 39.9283% (0.97   0.87   9.68) =  11.017%  kept
          QE    PHE   59 - HA    LEU   63   7.21 +/- 1.66  18.516% *  3.5415% (0.14   0.55   0.23) =   1.499%  kept
          HN    LYS+  81 - HA    LEU   63  21.60 +/- 3.23   0.631% *  0.9011% (0.95   0.02   0.02) =   0.013%
    Distance limit 3.74 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 241.7:
      O   HN    LEU   63 - HA    LEU   63   2.82 +/- 0.05  94.303% * 99.6457% (1.00  10.0   7.54 241.73) =  99.996%  kept
          HN    ILE   56 - HA    LEU   63  12.46 +/- 1.16   1.225% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    LEU   63  18.53 +/- 4.48   1.935% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HA    LEU   63  16.48 +/- 2.68   0.660% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    LEU   63  22.28 +/- 5.38   1.243% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  21.75 +/- 3.17   0.346% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  23.17 +/- 5.27   0.288% *  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 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.488, support = 1.49, residual support = 9.62:
        T HA    PHE   60 - HB2   LEU   63   3.03 +/- 0.93  72.265% * 91.6363% (0.49 10.00   1.50   9.68) =  99.260%  kept
          QB    SER  117 - HB2   LEU   63  11.79 +/- 2.46   6.126% *  5.1560% (0.98  1.00   0.42   0.02) =   0.473%  kept
          HA    LYS+  65 - HB2   LEU   63   7.71 +/- 0.37   7.374% *  2.0803% (0.18  1.00   0.95   3.59) =   0.230%  kept
          QB    SER   48 - HB2   LEU   63  15.25 +/- 4.69   4.917% *  0.1918% (0.76  1.00   0.02   0.02) =   0.014%
          HA    ALA  120 - HB2   LEU   63  11.67 +/- 2.54   3.744% *  0.1321% (0.53  1.00   0.02   0.02) =   0.007%
          HA    LYS+ 121 - HB2   LEU   63  13.34 +/- 2.01   1.823% *  0.2317% (0.92  1.00   0.02   0.02) =   0.006%
          HB    THR   94 - HB2   LEU   63  12.44 +/- 2.18   1.651% *  0.2177% (0.87  1.00   0.02   0.02) =   0.005%
          HA2   GLY   51 - HB2   LEU   63  16.99 +/- 1.15   0.679% *  0.2422% (0.97  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HB2   LEU   63  15.17 +/- 3.91   1.122% *  0.0559% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  21.36 +/- 3.42   0.298% *  0.0559% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.55, residual support = 54.6:
          HN    ALA   64 - HB2   LEU   63   2.99 +/- 0.47 100.000% *100.0000% (0.57   7.55  54.61) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 2.66, residual support = 16.5:
          QE    PHE   72 - HB2   LEU   63   4.75 +/- 1.27  80.041% * 99.3518% (0.99   2.66  16.55) =  99.920%  kept
          HD22  ASN   28 - HB2   LEU   63  16.71 +/- 4.05  14.536% *  0.3101% (0.41   0.02   0.02) =   0.057%
          HN    ALA   47 - HB2   LEU   63  13.35 +/- 2.23   5.423% *  0.3381% (0.45   0.02   0.02) =   0.023%
    Distance limit 4.12 A violated in 5 structures by 0.84 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.15, residual support = 241.7:
      O   HN    LEU   63 - HB2   LEU   63   2.17 +/- 0.15  96.908% * 99.6457% (1.00  10.0   8.15 241.73) =  99.998%  kept
          HN    ILE   56 - HB2   LEU   63  10.86 +/- 1.30   0.866% *  0.0990% (0.99   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   LEU   63  17.42 +/- 4.23   0.919% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  14.76 +/- 2.61   0.462% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  21.91 +/- 4.84   0.547% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  20.32 +/- 2.71   0.145% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  21.66 +/- 4.81   0.154% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 4.47, residual support = 41.5:
          HN    ASP-  62 - HB2   LEU   63   4.57 +/- 0.25  80.829% * 87.0497% (0.76   4.55  42.28) =  98.045%  kept
          HN    LEU   31 - HB2   LEU   63  15.58 +/- 3.62  11.399% * 12.0890% (0.84   0.58   0.27) =   1.920%  kept
          HN    PHE   55 - HB2   LEU   63  13.07 +/- 1.16   3.560% *  0.4493% (0.90   0.02   0.02) =   0.022%
          HN    ARG+  54 - HB2   LEU   63  13.38 +/- 1.18   3.343% *  0.2060% (0.41   0.02   0.02) =   0.010%
          HN    ALA   88 - HB2   LEU   63  22.64 +/- 3.84   0.869% *  0.2060% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.71, residual support = 54.6:
          HN    ALA   64 - HB3   LEU   63   3.37 +/- 0.63 100.000% *100.0000% (0.57   6.71  54.61) = 100.000%  kept
    Distance limit 4.19 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 = 3.24, residual support = 16.6:
        T HZ    PHE   72 - HB3   LEU   63   4.59 +/- 2.12  72.212% * 99.9822% (0.87 10.00   3.24  16.55) =  99.993%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.14 +/- 4.15  27.788% *  0.0178% (0.15  1.00   0.02   0.02) =   0.007%
    Distance limit 4.06 A violated in 5 structures by 1.14 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 241.7:
      O   HN    LEU   63 - HB3   LEU   63   3.30 +/- 0.26  92.258% * 99.6457% (1.00  10.0   7.61 241.73) =  99.994%  kept
          HN    ILE   56 - HB3   LEU   63  12.14 +/- 1.34   2.190% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HB3   LEU   63  15.72 +/- 2.72   1.677% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB3   LEU   63  17.28 +/- 4.10   1.852% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  20.58 +/- 3.15   0.625% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  21.33 +/- 4.65   0.770% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  21.86 +/- 5.27   0.628% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 7.6, residual support = 241.4:
          HN    LEU   63 - HG    LEU   63   3.46 +/- 0.60  78.407% * 98.3506% (0.76   7.61 241.73) =  99.859%  kept
          QE    PHE   60 - HG    LEU   63   7.41 +/- 1.61  13.376% *  0.6720% (0.20   0.20   9.68) =   0.116%  kept
          HD21  ASN   28 - HG    LEU   63  18.01 +/- 4.38   3.392% *  0.3122% (0.92   0.02   0.02) =   0.014%
          HN    ILE   56 - HG    LEU   63  11.66 +/- 2.08   2.477% *  0.2188% (0.65   0.02   0.02) =   0.007%
          HZ2   TRP   87 - HG    LEU   63  22.29 +/- 5.43   0.501% *  0.2584% (0.76   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HG    LEU   63  15.12 +/- 3.17   1.333% *  0.0940% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  21.10 +/- 3.49   0.515% *  0.0940% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.158, support = 2.87, residual support = 8.74:
        T HA    PHE   60 - QD1   LEU   63   3.35 +/- 1.24  40.847% * 55.1759% (0.14 10.00   3.18   9.68) =  88.506%  kept
        T HA    PHE   60 - QD1   LEU   73   9.76 +/- 3.18  13.766% * 15.0816% (0.14 10.00   0.55   1.96) =   8.153%  kept
          HA    ALA  120 - QD1   LEU   63   9.25 +/- 2.83   4.603% *  6.1482% (0.95  1.00   0.32   0.02) =   1.111%  kept
          HB    THR   94 - QD1   LEU   63  10.28 +/- 2.78   2.743% *  7.8053% (0.97  1.00   0.40   0.02) =   0.841%  kept
          HB    THR   94 - QD1   LEU   73  11.13 +/- 2.39   1.655% *  5.1314% (0.97  1.00   0.26   0.02) =   0.334%  kept
          QB    SER  117 - QD1   LEU   63   9.20 +/- 2.45   3.577% *  2.0962% (0.61  1.00   0.17   0.02) =   0.294%  kept
          HA    LYS+ 121 - QD1   LEU  104  12.39 +/- 6.81   9.533% *  0.6708% (0.23  1.00   0.15   0.02) =   0.251%  kept
          HA    LYS+  65 - QD1   LEU   63   8.16 +/- 0.42   3.318% *  1.5560% (0.57  1.00   0.13   3.59) =   0.203%  kept
          HA    LYS+ 121 - QD1   LEU   63  10.36 +/- 2.58   2.181% *  1.7607% (0.92  1.00   0.09   0.02) =   0.151%  kept
          QB    SER   48 - QD1   LEU   63  13.34 +/- 3.82   2.113% *  0.4068% (1.00  1.00   0.02   0.02) =   0.034%
          HA    LYS+  65 - QD1   LEU   73  10.06 +/- 2.11   3.054% *  0.2308% (0.57  1.00   0.02   0.02) =   0.028%
          QB    SER   48 - QD1   LEU   73  14.38 +/- 2.62   0.643% *  0.4068% (1.00  1.00   0.02   0.02) =   0.010%
          HA2   GLY   16 - QD1   LEU   63  12.75 +/- 2.81   0.962% *  0.2637% (0.65  1.00   0.02   0.02) =   0.010%
        T HA    PHE   60 - QD1   LEU  104  13.33 +/- 3.02   1.443% *  0.1351% (0.03 10.00   0.02   0.02) =   0.008%
          QB    SER  117 - QD1   LEU   73  15.18 +/- 3.86   0.787% *  0.2473% (0.61  1.00   0.02   0.02) =   0.008%
          HA2   GLY   51 - QD1   LEU   63  14.90 +/- 1.60   0.544% *  0.3536% (0.87  1.00   0.02   0.02) =   0.008%
          HA2   GLY   16 - QD1   LEU   73  14.15 +/- 3.36   0.710% *  0.2637% (0.65  1.00   0.02   0.02) =   0.007%
          QB    SER   85 - QD1   LEU   73  15.50 +/- 3.49   0.607% *  0.2637% (0.65  1.00   0.02   0.02) =   0.006%
          HA    ALA  120 - QD1   LEU   73  16.97 +/- 3.51   0.405% *  0.3857% (0.95  1.00   0.02   0.02) =   0.006%
          HA    LYS+ 121 - QD1   LEU   73  16.96 +/- 3.82   0.413% *  0.3764% (0.92  1.00   0.02   0.02) =   0.006%
          QB    SER   85 - QD1   LEU   63  18.01 +/- 3.91   0.577% *  0.2637% (0.65  1.00   0.02   0.02) =   0.006%
          HA2   GLY   51 - QD1   LEU   73  18.27 +/- 3.02   0.360% *  0.3536% (0.87  1.00   0.02   0.02) =   0.005%
          HA    ALA  120 - QD1   LEU  104  14.36 +/- 5.39   0.913% *  0.0944% (0.23  1.00   0.02   0.02) =   0.003%
          QB    SER  117 - QD1   LEU  104  11.79 +/- 2.76   1.380% *  0.0605% (0.15  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - QD1   LEU  104  13.67 +/- 1.80   0.761% *  0.0963% (0.24  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU  104  16.54 +/- 3.49   0.725% *  0.0565% (0.14  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  104  17.02 +/- 4.49   0.619% *  0.0646% (0.16  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD1   LEU  104  18.75 +/- 2.99   0.306% *  0.0996% (0.24  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD1   LEU  104  19.46 +/- 4.48   0.275% *  0.0646% (0.16  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  22.53 +/- 3.63   0.180% *  0.0866% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.482, support = 3.59, residual support = 25.0:
        T HZ3   TRP   27 - QD1   LEU   73   4.31 +/- 3.00  50.010% * 84.8114% (0.49 10.00   3.78  26.40) =  94.513%  kept
        T HZ3   TRP   27 - QD1   LEU   63   9.83 +/- 3.13  17.917% * 10.5433% (0.49 10.00   0.25   0.02) =   4.209%  kept
        T HZ3   TRP   27 - QD1   LEU  104  11.84 +/- 4.27  12.636% *  4.3613% (0.12 10.00   0.42   0.79) =   1.228%  kept
          HZ    PHE   45 - QD1   LEU   63  11.51 +/- 2.81  12.488% *  0.1265% (0.73  1.00   0.02   0.02) =   0.035%
          HZ    PHE   45 - QD1   LEU   73   9.41 +/- 3.28   4.488% *  0.1265% (0.73  1.00   0.02   0.02) =   0.013%
          HZ    PHE   45 - QD1   LEU  104  13.03 +/- 2.15   2.461% *  0.0310% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.81 A violated in 1 structures by 0.38 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.802, support = 1.44, residual support = 5.18:
          QD    PHE   60 - QD1   LEU   63   4.61 +/- 1.40  20.701% * 26.0521% (0.87   1.47   9.68) =  38.853%  kept
          QD    PHE   60 - QD1   LEU   73   8.14 +/- 2.95  12.025% * 35.2030% (0.87   1.98   1.96) =  30.498%  kept
          QE    PHE   59 - QD1   LEU   63   4.60 +/- 2.47  29.860% *  6.8249% (0.49   0.69   0.23) =  14.682%  kept
          HN    LYS+  66 - QD1   LEU   63   6.08 +/- 0.58   7.148% * 23.3566% (0.95   1.21   6.48) =  12.028%  kept
          QE    PHE   59 - QD1   LEU   73  10.86 +/- 3.74  11.473% *  2.1044% (0.49   0.21   0.02) =   1.739%  kept
          HN    PHE   59 - QD1   LEU   63   6.38 +/- 1.42  10.093% *  2.3614% (0.18   0.66   0.23) =   1.717%  kept
          HN    LYS+  66 - QD1   LEU   73  10.79 +/- 1.90   1.837% *  3.2952% (0.95   0.17   0.02) =   0.436%  kept
          HN    LYS+  81 - QD1   LEU   73  13.77 +/- 3.09   0.914% *  0.2152% (0.53   0.02   0.02) =   0.014%
          HN    LYS+  81 - QD1   LEU   63  17.53 +/- 3.50   0.601% *  0.2152% (0.53   0.02   0.02) =   0.009%
          QE    PHE   59 - QD1   LEU  104  10.82 +/- 3.52   2.160% *  0.0487% (0.12   0.02   0.02) =   0.008%
          HN    PHE   59 - QD1   LEU   73  13.00 +/- 3.46   1.061% *  0.0716% (0.18   0.02   0.02) =   0.005%
          QD    PHE   60 - QD1   LEU  104  12.55 +/- 2.41   0.826% *  0.0868% (0.21   0.02   0.02) =   0.005%
          HN    LYS+  66 - QD1   LEU  104  15.37 +/- 3.65   0.719% *  0.0947% (0.23   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD1   LEU  104  20.96 +/- 3.48   0.170% *  0.0527% (0.13   0.02   0.02) =   0.001%
          HN    PHE   59 - QD1   LEU  104  15.64 +/- 2.72   0.413% *  0.0175% (0.04   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.754, support = 6.16, residual support = 195.1:
          HN    LEU   63 - QD1   LEU   63   3.72 +/- 0.45  30.622% * 57.2939% (0.76   7.09 241.73) =  80.524%  kept
          HD21  ASN   28 - QD1   LEU   73   6.61 +/- 3.08  10.555% * 25.9245% (0.92   2.66   1.44) =  12.558%  kept
          QE    PHE   60 - QD1   LEU   73   7.93 +/- 3.16  13.663% *  4.9072% (0.20   2.35   1.96) =   3.077%  kept
          QE    PHE   60 - QD1   LEU   63   6.02 +/- 1.48  11.352% *  3.6209% (0.20   1.73   9.68) =   1.887%  kept
          HN    LEU   63 - QD1   LEU   73  10.40 +/- 2.62   5.581% *  4.3623% (0.76   0.54   0.13) =   1.117%  kept
          HD21  ASN   28 - QD1   LEU  104  15.34 +/- 5.87   8.803% *  1.0037% (0.23   0.42   0.29) =   0.406%  kept
          HD21  ASN   28 - QD1   LEU   63  14.47 +/- 4.10   4.228% *  1.9041% (0.92   0.20   0.02) =   0.369%  kept
          HZ2   TRP   87 - QD1   LEU   73  15.82 +/- 5.80   2.672% *  0.1616% (0.76   0.02   0.02) =   0.020%
          HN    ILE   56 - QD1   LEU   63   9.55 +/- 1.88   2.654% *  0.1368% (0.65   0.02   0.02) =   0.017%
          HN    ILE   56 - QD1   LEU   73  14.91 +/- 3.35   0.848% *  0.1368% (0.65   0.02   0.02) =   0.005%
          HN    LYS+ 111 - QD1   LEU   63  12.03 +/- 2.87   1.474% *  0.0588% (0.28   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD1   LEU   63  18.03 +/- 4.84   0.513% *  0.1616% (0.76   0.02   0.02) =   0.004%
          HN    ALA   84 - QD1   LEU   73  14.42 +/- 3.12   1.221% *  0.0588% (0.28   0.02   0.02) =   0.003%
          HN    ALA   84 - QD1   LEU   63  17.25 +/- 3.48   0.778% *  0.0588% (0.28   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU  104  14.22 +/- 3.26   1.127% *  0.0396% (0.19   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QD1   LEU  104  18.39 +/- 6.82   0.801% *  0.0396% (0.19   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   73  17.13 +/- 3.72   0.437% *  0.0588% (0.28   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  17.66 +/- 2.86   0.434% *  0.0335% (0.16   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU  104  15.53 +/- 2.83   0.863% *  0.0144% (0.07   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU  104  13.11 +/- 2.33   1.127% *  0.0102% (0.05   0.02   0.02) =   0.001%
          HN    ALA   84 - QD1   LEU  104  20.14 +/- 3.69   0.250% *  0.0144% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.05 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   2.79 +/- 0.07 100.000% *100.0000% (0.97  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.63 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 = 0.717, support = 3.49, residual support = 47.8:
        T QD    PHE   72 - HA    ALA   64   3.84 +/- 0.93  39.084% * 60.4788% (0.87 10.00   3.63  47.83) =  50.034%  kept
        T HZ    PHE   72 - HA    ALA   64   2.97 +/- 0.72  59.799% * 39.4733% (0.57 10.00   3.35  47.83) =  49.965%  kept
          QE    PHE   45 - HA    ALA   64  11.63 +/- 1.48   1.117% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 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 = 0.872, support = 1.16, residual support = 3.37:
          HN    LEU   67 - HA    ALA   64   4.00 +/- 0.74  75.733% * 64.4034% (0.87   1.20   3.55) =  94.217%  kept
          QE    PHE   95 - HA    ALA   64   9.44 +/- 1.69   9.071% * 31.7527% (0.98   0.52   0.50) =   5.564%  kept
          HE3   TRP   27 - HA    ALA   64  10.80 +/- 1.63   6.867% *  0.7007% (0.57   0.02   0.02) =   0.093%
          HN    THR   23 - HA    ALA   64  14.52 +/- 1.90   2.322% *  1.2268% (0.99   0.02   0.02) =   0.055%
          HD1   TRP   49 - HA    ALA   64  18.88 +/- 4.39   2.172% *  0.6512% (0.53   0.02   0.02) =   0.027%
          QD    PHE   55 - HA    ALA   64  15.88 +/- 0.73   1.513% *  0.8007% (0.65   0.02   0.02) =   0.023%
          HD2   HIS   22 - HA    ALA   64  14.62 +/- 3.10   2.323% *  0.4645% (0.38   0.02   0.02) =   0.021%
    Distance limit 4.16 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.638, support = 2.87, residual support = 6.14:
          QG2   VAL   18 - QB    ALA   64   5.80 +/- 4.59  31.511% * 41.5121% (0.84   2.03   8.04) =  53.141%  kept
          QD2   LEU   73 - QB    ALA   64   4.62 +/- 1.38  24.757% * 40.1251% (0.38   4.37   4.63) =  40.356%  kept
          QG2   THR   46 - QB    ALA   64   7.54 +/- 2.85  11.568% *  7.0947% (0.73   0.40   0.02) =   3.334%  kept
          QD1   ILE   19 - QB    ALA   64   7.96 +/- 2.30   7.314% *  6.7815% (0.38   0.74   0.02) =   2.015%  kept
          QG1   VAL   43 - QB    ALA   64   7.11 +/- 1.03   7.600% *  1.9997% (0.98   0.08   0.02) =   0.617%  kept
          QG1   VAL   41 - QB    ALA   64   8.07 +/- 1.56   5.625% *  2.0220% (0.99   0.08   0.02) =   0.462%  kept
          HG    LEU   31 - QB    ALA   64  10.86 +/- 2.29   4.467% *  0.2573% (0.53   0.02   0.02) =   0.047%
          QD1   ILE   56 - QB    ALA   64   8.27 +/- 1.29   5.443% *  0.0856% (0.18   0.02   0.02) =   0.019%
          QD2   LEU  104 - QB    ALA   64  11.05 +/- 2.38   1.715% *  0.1219% (0.25   0.02   0.02) =   0.008%
    Distance limit 3.01 A violated in 1 structures by 0.38 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 1.79, residual support = 5.16:
          QB    ALA   61 - QB    ALA   64   4.19 +/- 0.43  26.514% * 13.6568% (0.92   1.19   6.90) =  26.464%  kept
          HB3   LEU   67 - QB    ALA   64   5.12 +/- 1.20  19.816% * 17.2365% (0.99   1.40   3.55) =  24.962%  kept
          HG    LEU   73 - QB    ALA   64   6.63 +/- 1.56  11.080% * 28.9219% (0.87   2.68   4.63) =  23.420%  kept
          QG    LYS+  66 - QB    ALA   64   6.54 +/- 0.52   7.045% * 25.0187% (0.98   2.05   8.20) =  12.882%  kept
          HG    LEU   67 - QB    ALA   64   5.51 +/- 1.08  14.401% *  8.3642% (0.28   2.42   3.55) =   8.803%  kept
          HG12  ILE   19 - QB    ALA   64   8.73 +/- 3.70   7.735% *  5.9528% (0.65   0.74   0.02) =   3.365%  kept
          HG    LEU   40 - QB    ALA   64   7.89 +/- 1.84   6.335% *  0.0935% (0.38   0.02   0.02) =   0.043%
          QB    ALA  110 - QB    ALA   64  12.46 +/- 1.95   1.220% *  0.1809% (0.73   0.02   0.02) =   0.016%
          HG    LEU   80 - QB    ALA   64  13.49 +/- 2.79   1.132% *  0.1903% (0.76   0.02   0.02) =   0.016%
          HB3   LEU  115 - QB    ALA   64  10.29 +/- 1.67   2.075% *  0.0935% (0.38   0.02   0.02) =   0.014%
          HG2   LYS+ 102 - QB    ALA   64  17.76 +/- 3.25   0.407% *  0.1903% (0.76   0.02   0.02) =   0.006%
          HB2   LEU   80 - QB    ALA   64  13.21 +/- 2.07   0.996% *  0.0621% (0.25   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QB    ALA   64  13.42 +/- 2.48   1.245% *  0.0384% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.871, support = 2.03, residual support = 4.85:
          HB3   LEU   67 - HA    ALA   64   4.04 +/- 1.45  32.944% * 25.9681% (0.99   1.88   3.55) =  50.605%  kept
          QG    LYS+  66 - HA    ALA   64   6.55 +/- 0.78  12.005% * 32.7648% (0.98   2.39   8.20) =  23.268%  kept
          HG    LEU   67 - HA    ALA   64   4.54 +/- 1.24  25.061% *  9.8687% (0.28   2.54   3.55) =  14.630%  kept
          HG    LEU   73 - HA    ALA   64   8.94 +/- 1.29   5.254% * 21.2133% (0.87   1.75   4.63) =   6.593%  kept
          QB    ALA   61 - HA    ALA   64   6.53 +/- 0.40   9.228% *  8.4658% (0.92   0.66   6.90) =   4.621%  kept
          HG12  ILE   19 - HA    ALA   64  10.27 +/- 4.06   4.490% *  0.7676% (0.65   0.09   0.02) =   0.204%  kept
          HG    LEU   40 - HA    ALA   64   8.63 +/- 1.73   5.593% *  0.1048% (0.38   0.02   0.02) =   0.035%
          HG    LEU   80 - HA    ALA   64  17.25 +/- 3.66   1.472% *  0.2134% (0.76   0.02   0.02) =   0.019%
          QB    ALA  110 - HA    ALA   64  15.85 +/- 2.11   0.655% *  0.2027% (0.73   0.02   0.02) =   0.008%
          HB3   LEU  115 - HA    ALA   64  12.94 +/- 1.71   1.152% *  0.1048% (0.38   0.02   0.02) =   0.007%
          HB2   LEU   80 - HA    ALA   64  16.95 +/- 2.71   0.956% *  0.0696% (0.25   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HA    ALA   64  21.01 +/- 4.33   0.278% *  0.2134% (0.76   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HA    ALA   64  15.78 +/- 3.06   0.911% *  0.0431% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.24 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 3.73, residual support = 47.8:
        T HB3   PHE   72 - QB    ALA   64   4.76 +/- 1.54  39.880% * 99.3598% (0.76 10.00   3.73  47.83) =  99.850%  kept
          HB2   ASP-  44 - QB    ALA   64   4.87 +/- 1.73  41.350% *  0.1128% (0.87  1.00   0.02   0.02) =   0.118%  kept
          QG    GLU-  15 - QB    ALA   64  12.51 +/- 3.41   3.092% *  0.1230% (0.95  1.00   0.02   0.02) =   0.010%
          QG    GLU-  14 - QB    ALA   64  12.38 +/- 3.15   3.485% *  0.1086% (0.84  1.00   0.02   0.02) =   0.010%
          HG12  ILE  119 - QB    ALA   64   9.53 +/- 1.85   5.247% *  0.0443% (0.34  1.00   0.02   0.02) =   0.006%
          QG    GLN   90 - QB    ALA   64  15.22 +/- 2.14   1.168% *  0.0893% (0.69  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - QB    ALA   64  17.53 +/- 2.75   0.827% *  0.1166% (0.90  1.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    ALA   64  13.28 +/- 2.91   3.836% *  0.0228% (0.18  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  36 - QB    ALA   64  15.16 +/- 2.14   1.113% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 2.47, residual support = 6.9:
        T HA    ALA   61 - QB    ALA   64   3.18 +/- 0.63  73.681% * 99.4207% (1.00 10.00   2.47   6.90) =  99.944%  kept
          HD2   PRO   68 - QB    ALA   64   7.49 +/- 0.63   7.311% *  0.4863% (0.92  1.00   0.11   0.02) =   0.049%
          HA    VAL   75 - QB    ALA   64   6.84 +/- 1.05  13.331% *  0.0248% (0.25  1.00   0.02   0.02) =   0.005%
          HD3   PRO   58 - QB    ALA   64   9.57 +/- 1.03   3.152% *  0.0485% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.49 +/- 1.52   2.525% *  0.0197% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.891, support = 2.57, residual support = 7.94:
          HA    VAL   18 - QB    ALA   64   7.30 +/- 5.11  34.647% * 93.9608% (0.90   2.60   8.04) =  98.800%  kept
          HA    GLN  116 - QB    ALA   64  11.47 +/- 1.55   8.845% *  1.2705% (0.41   0.08   0.02) =   0.341%  kept
          HA    VAL   70 - QB    ALA   64   6.93 +/- 1.21  25.685% *  0.3315% (0.41   0.02   0.02) =   0.258%  kept
          HA    SER   48 - QB    ALA   64  12.98 +/- 3.62   8.591% *  0.7629% (0.95   0.02   0.02) =   0.199%  kept
          HA    GLN   32 - QB    ALA   64  13.88 +/- 2.36   6.781% *  0.5856% (0.73   0.02   0.02) =   0.121%  kept
          HA    GLU-  29 - QB    ALA   64  14.10 +/- 2.02   3.796% *  0.6995% (0.87   0.02   0.02) =   0.081%
          HA    LYS+  33 - QB    ALA   64  13.86 +/- 1.98   3.852% *  0.5856% (0.73   0.02   0.02) =   0.068%
          HD2   PRO   52 - QB    ALA   64  14.31 +/- 1.85   3.758% *  0.4243% (0.53   0.02   0.02) =   0.048%
          HB2   SER   82 - QB    ALA   64  16.53 +/- 2.26   1.809% *  0.7629% (0.95   0.02   0.02) =   0.042%
          HA    ALA   88 - QB    ALA   64  17.98 +/- 2.80   2.237% *  0.6163% (0.76   0.02   0.02) =   0.042%
    Distance limit 3.79 A violated in 9 structures by 1.26 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.505, support = 1.1, residual support = 0.796:
        T HA    GLN   17 - QB    ALA   64   9.45 +/- 4.87  27.203% * 93.8401% (0.49 10.00   1.15   0.83) =  95.544%  kept
        T HA    VAL   42 - QB    ALA   64   7.18 +/- 1.51  30.277% *  3.2760% (0.98 10.00   0.02   0.02) =   3.712%  kept
        T HA    PHE   55 - QB    ALA   64  12.77 +/- 1.17   6.375% *  2.2957% (0.69 10.00   0.02   0.02) =   0.548%  kept
          HA    THR   46 - QB    ALA   64   9.62 +/- 2.25  17.557% *  0.1374% (0.41  1.00   0.02   0.02) =   0.090%
          HA    SER   37 - QB    ALA   64  13.69 +/- 2.46   8.981% *  0.1627% (0.49  1.00   0.02   0.02) =   0.055%
          HA    GLN   90 - QB    ALA   64  15.47 +/- 2.53   4.379% *  0.1627% (0.49  1.00   0.02   0.02) =   0.027%
          HA    ALA  110 - QB    ALA   64  13.93 +/- 2.79   5.227% *  0.1254% (0.38  1.00   0.02   0.02) =   0.025%
    Distance limit 4.15 A violated in 11 structures by 2.06 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.23, residual support = 8.03:
          HN    VAL   18 - QB    ALA   64   8.13 +/- 5.16  62.503% * 99.5951% (1.00   2.23   8.04) =  99.893%  kept
          HN    GLU-  29 - QB    ALA   64  13.09 +/- 1.86  28.609% *  0.1565% (0.18   0.02   0.02) =   0.072%
          HN    SER   13 - QB    ALA   64  16.40 +/- 2.24   8.888% *  0.2485% (0.28   0.02   0.02) =   0.035%
    Distance limit 3.96 A violated in 12 structures by 4.17 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.81, support = 5.83, residual support = 47.8:
        T QD    PHE   72 - QB    ALA   64   3.26 +/- 0.92  41.645% * 84.9357% (0.87 10.00   5.93  47.83) =  80.948%  kept
          HZ    PHE   72 - QB    ALA   64   2.88 +/- 1.03  55.498% * 14.9971% (0.57  1.00   5.41  47.83) =  19.048%  kept
          QE    PHE   45 - QB    ALA   64   8.84 +/- 1.53   2.856% *  0.0673% (0.69  1.00   0.02   0.02) =   0.004%
    Distance limit 3.54 A violated in 0 structures by 0.02 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   2.02 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.66) = 100.000%  kept
    Distance limit 3.18 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 = 6.2, residual support = 160.3:
      O   HN    LYS+  65 - HA    LYS+  65   2.79 +/- 0.05  99.328% * 99.9887% (0.71  10.0   6.20 160.32) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  16.57 +/- 2.26   0.672% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.711, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  14.68 +/- 5.45  23.250% * 34.8898% (0.87   0.02   0.02) =  55.449%  kept
          HN    SER  117 - HA    LYS+  65  17.93 +/- 1.83   9.683% * 28.1870% (0.71   0.02   0.02) =  18.657%  kept
          HN    SER   82 - HA    LYS+  65  20.77 +/- 3.19   6.829% * 26.7825% (0.67   0.02   0.02) =  12.502%  kept
          HN    SER  117 - HA    LYS+ 121   8.96 +/- 0.69  52.617% *  3.1809% (0.08   0.02   0.02) =  11.441%  kept
          HN    GLY   16 - HA    LYS+ 121  19.70 +/- 3.27   6.033% *  3.9373% (0.10   0.02   0.02) =   1.624%  kept
          HN    SER   82 - HA    LYS+ 121  30.86 +/- 3.75   1.588% *  3.0224% (0.08   0.02   0.02) =   0.328%  kept
    Distance limit 3.53 A violated in 20 structures by 5.06 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 = 29.3:
          HN    LYS+  65 - QB    ALA   64   2.77 +/- 0.28 100.000% *100.0000% (0.31   4.86  29.29) = 100.000%  kept
    Distance limit 3.40 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 = 4.09, residual support = 47.8:
          QE    PHE   72 - HA    ALA   64   2.69 +/- 0.55  99.337% * 99.3483% (0.65   4.09  47.83) =  99.996%  kept
          HD22  ASN   28 - HA    ALA   64  15.10 +/- 2.37   0.663% *  0.6517% (0.87   0.02   0.02) =   0.004%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 1.96, residual support = 4.16:
          HA    ASP-  62 - QB    LYS+  65   2.99 +/- 0.73  91.487% * 98.0123% (0.80   1.96   4.16) =  99.961%  kept
          HA    SER  117 - QB    LYS+  65  15.74 +/- 2.54   4.819% *  0.2783% (0.22   0.02   0.02) =   0.015%
          HB    THR   26 - QB    LYS+  65  16.36 +/- 2.86   1.498% *  0.7078% (0.57   0.02   0.02) =   0.012%
          HA    SER   82 - QB    LYS+  65  20.64 +/- 3.31   1.112% *  0.8087% (0.65   0.02   0.02) =   0.010%
          HA    GLU-  25 - QB    LYS+  65  18.70 +/- 3.39   1.084% *  0.1929% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.69, residual support = 160.3:
      O   HN    LYS+  65 - QB    LYS+  65   2.18 +/- 0.20 100.000% *100.0000% (0.76  10.0   6.69 160.32) = 100.000%  kept
    Distance limit 2.92 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 = 0.529, support = 6.0, residual support = 31.2:
          HN    LYS+  66 - QB    LYS+  65   3.10 +/- 0.28  86.312% * 92.6916% (0.53   6.04  31.47) =  99.247%  kept
          QD    PHE   60 - QB    LYS+  65   7.09 +/- 1.01   8.985% *  6.6774% (0.97   0.24   0.02) =   0.744%  kept
          HN    LYS+  81 - QB    LYS+  65  18.18 +/- 3.26   0.793% *  0.5519% (0.95   0.02   0.02) =   0.005%
          QE    PHE   59 - QB    LYS+  65   9.40 +/- 0.95   3.911% *  0.0790% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.12 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.38, residual support = 160.3:
          HN    LYS+  65 - HG2   LYS+  65   3.61 +/- 0.63 100.000% *100.0000% (0.31   5.38 160.32) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.838, support = 5.25, residual support = 145.2:
      O T HA    LYS+  65 - HG3   LYS+  65   2.95 +/- 0.56  61.630% * 57.2471% (0.87  10.0 10.00   5.38 160.32) =  89.499%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.31 +/- 0.72  10.526% * 39.1477% (0.59   1.0 10.00   4.17  16.14) =  10.453%  kept
        T HA    GLN   32 - HG3   LYS+ 102  17.53 +/- 6.25   0.868% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.008%
        T HD2   PRO   52 - HG3   LYS+ 106  19.19 +/- 4.78   1.104% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LYS+  65 - HG3   LYS+  33  16.73 +/- 3.03   0.517% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLN   32 - HG3   LYS+  65  20.67 +/- 4.46   0.454% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.005%
          QB    SER   48 - HG3   LYS+  65  15.72 +/- 7.03   5.088% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 106  20.03 +/- 2.70   0.299% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   48 - HG3   LYS+  65  16.54 +/- 6.97   2.633% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HG3   LYS+ 102  25.10 +/- 3.66   0.150% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  19.88 +/- 3.91   0.325% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+ 102  21.47 +/- 7.55   0.822% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  65  16.33 +/- 5.15   0.920% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  65  18.66 +/- 3.35   0.478% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+  33  13.60 +/- 2.86   0.859% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 106  16.81 +/- 5.84   0.991% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+  33  21.66 +/- 5.15   0.436% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HG3   LYS+  65  17.84 +/- 4.15   0.553% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 106  18.31 +/- 5.89   1.020% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+  65  21.92 +/- 3.84   0.276% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  22.82 +/- 4.89   0.568% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  16.73 +/- 2.54   0.484% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  22.83 +/- 7.15   0.331% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.60 +/- 6.21   0.302% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.59 +/- 1.62   2.550% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  25.51 +/- 6.00   0.262% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  16.13 +/- 2.79   0.796% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  25.89 +/- 7.20   0.250% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  19.10 +/- 5.44   0.480% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  23.93 +/- 4.46   0.192% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  23.83 +/- 5.82   0.313% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  17.90 +/- 4.19   0.562% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  19.33 +/- 4.35   0.576% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.57 +/- 4.70   0.115% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  24.09 +/- 4.90   0.236% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  17.59 +/- 4.24   0.748% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  29.79 +/- 5.43   0.111% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.51 +/- 2.48   0.076% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.61 +/- 1.27   0.310% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  27.61 +/- 4.40   0.125% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  24.75 +/- 4.57   0.199% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  27.13 +/- 2.21   0.101% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.49 +/- 1.76   0.217% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.68 +/- 2.54   0.146% *  0.0142% (0.22   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 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.348, support = 2.76, residual support = 22.9:
          HN    ASP- 105 - HG3   LYS+ 106   4.39 +/- 0.37  75.145% * 75.2068% (0.34   2.86  23.85) =  96.066%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.19 +/- 1.27  11.846% * 18.9707% (0.65   0.37   0.02) =   3.820%  kept
          HN    ALA   88 - HG3   LYS+ 106  18.24 +/- 6.03   3.534% *  0.3716% (0.24   0.02   0.02) =   0.022%
          HN    ASP- 105 - HG3   LYS+  33  18.51 +/- 2.41   1.213% *  1.0813% (0.69   0.02   0.02) =   0.022%
          HN    ASP- 105 - HG3   LYS+  65  19.82 +/- 2.31   1.043% *  1.2522% (0.80   0.02   0.02) =   0.022%
          HN    ALA   88 - HG3   LYS+ 102  24.77 +/- 7.89   1.321% *  0.7205% (0.46   0.02   0.02) =   0.016%
          HN    ALA   88 - HG3   LYS+  65  24.19 +/- 4.75   0.658% *  0.8853% (0.57   0.02   0.02) =   0.010%
          HN    PHE   55 - HG3   LYS+  65  15.32 +/- 2.99   2.361% *  0.2413% (0.15   0.02   0.02) =   0.010%
          HN    ALA   88 - HG3   LYS+  33  29.43 +/- 6.06   0.421% *  0.7645% (0.49   0.02   0.02) =   0.005%
          HN    PHE   55 - HG3   LYS+ 106  18.55 +/- 3.21   1.691% *  0.1013% (0.06   0.02   0.02) =   0.003%
          HN    PHE   55 - HG3   LYS+ 102  27.99 +/- 3.38   0.401% *  0.1964% (0.13   0.02   0.02) =   0.001%
          HN    PHE   55 - HG3   LYS+  33  27.73 +/- 2.72   0.366% *  0.2084% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.19, residual support = 118.9:
      O   HN    LYS+  66 - HA    LYS+  66   2.84 +/- 0.08  95.473% * 99.6126% (0.53  10.0   5.19 118.94) =  99.994%  kept
          QD    PHE   60 - HA    LYS+  66  10.16 +/- 1.00   2.328% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          HN    LYS+  81 - HA    LYS+  66  22.22 +/- 3.98   0.431% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          QE    PHE   59 - HA    LYS+  66  11.82 +/- 1.88   1.767% *  0.0256% (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 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.36, residual support = 118.9:
      O   HN    LYS+  66 - QB    LYS+  66   2.69 +/- 0.39  92.579% * 99.6126% (0.53  10.0   5.36 118.94) =  99.990%  kept
          QD    PHE   60 - QB    LYS+  66   8.89 +/- 0.99   2.898% *  0.1827% (0.97   1.0   0.02   0.02) =   0.006%
          HN    LYS+  81 - QB    LYS+  66  19.98 +/- 4.13   1.905% *  0.1791% (0.95   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  66   9.91 +/- 2.18   2.617% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.512, support = 4.81, residual support = 116.0:
          HN    LYS+  66 - QG    LYS+  66   3.50 +/- 0.66  55.364% * 93.1289% (0.53   4.85 118.94) =  97.176%  kept
          HN    LYS+  66 - HG    LEU   67   5.43 +/- 1.20  27.847% *  5.2621% (0.04   3.56  15.50) =   2.762%  kept
          QD    PHE   60 - QG    LYS+  66   9.57 +/- 0.98   2.901% *  0.7046% (0.97   0.02   0.02) =   0.039%
          HN    LYS+  81 - QG    LYS+  66  20.35 +/- 4.08   0.827% *  0.6906% (0.95   0.02   0.02) =   0.011%
          QD    PHE   60 - HG    LEU   67   9.06 +/- 1.67   6.952% *  0.0542% (0.07   0.02   0.02) =   0.007%
          QE    PHE   59 - QG    LYS+  66  10.74 +/- 1.59   2.839% *  0.0988% (0.14   0.02   0.02) =   0.005%
          HN    LYS+  81 - HG    LEU   67  21.01 +/- 3.80   0.609% *  0.0532% (0.07   0.02   0.02) =   0.001%
          QE    PHE   59 - HG    LEU   67  10.93 +/- 2.49   2.662% *  0.0076% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 5.2, residual support = 118.8:
          HN    LYS+  66 - QD    LYS+  66   4.38 +/- 0.60  58.414% * 98.3004% (0.53   5.20 118.94) =  99.894%  kept
          QD    PHE   60 - QD    LYS+  66  10.23 +/- 0.97   4.902% *  0.6932% (0.97   0.02   0.02) =   0.059%
          HN    LYS+  81 - QD    LYS+  66  20.90 +/- 4.04   1.923% *  0.6795% (0.95   0.02   0.02) =   0.023%
          QE    PHE   59 - QD    LYS+  66  11.13 +/- 2.29   7.463% *  0.0972% (0.14   0.02   0.02) =   0.013%
          QD    PHE   60 - HD2   LYS+ 121  12.62 +/- 1.55   2.984% *  0.0862% (0.12   0.02   0.02) =   0.004%
          QE    PHE   59 - HD2   LYS+ 121   6.58 +/- 1.02  20.912% *  0.0121% (0.02   0.02   0.02) =   0.004%
          HN    LYS+  66 - HD2   LYS+ 121  15.50 +/- 3.13   3.133% *  0.0470% (0.07   0.02   0.02) =   0.003%
          HN    LYS+  81 - HD2   LYS+ 121  28.52 +/- 3.81   0.271% *  0.0845% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.485, support = 3.58, residual support = 60.3:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  71.846% * 41.3198% (0.47  10.0 10.00   3.02  60.58) =  74.011%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.71 +/- 0.32  21.982% * 46.3813% (0.53  10.0  1.00   5.20  60.58) =  25.418%  kept
          QG    LYS+  66 - HB2   LEU   67   6.31 +/- 0.90   2.037% * 10.8284% (0.61   1.0  1.00   4.06  15.50) =   0.550%  kept
        T HG    LEU   40 - HB2   LEU   67   8.09 +/- 1.46   1.256% *  0.5335% (0.61   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   LEU  115 - HB2   LEU   67  14.38 +/- 2.36   0.163% *  0.5335% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU  115 - HB2   LEU   67  15.28 +/- 2.36   0.138% *  0.1776% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HB2   LEU   67   8.78 +/- 1.09   0.682% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  11.10 +/- 1.36   0.330% *  0.0616% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   LEU   67  19.34 +/- 4.49   0.514% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.88 +/- 4.26   0.669% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  20.94 +/- 5.07   0.079% *  0.0637% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  13.65 +/- 3.06   0.220% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.41 +/- 2.38   0.086% *  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 = 60.4:
      O T QD1   LEU   67 - HB2   LEU   67   2.42 +/- 0.30  77.976% * 97.7885% (0.70  10.0 10.00   3.25  60.58) =  99.769%  kept
          QD2   LEU   71 - HB2   LEU   67   6.31 +/- 1.68  14.259% *  0.9541% (0.22   1.0  1.00   0.61   0.02) =   0.178%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.49 +/- 1.20   3.797% *  0.9932% (0.71   1.0 10.00   0.02   0.02) =   0.049%
          HG3   LYS+  74 - HB2   LEU   67  10.73 +/- 2.12   1.719% *  0.0811% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - HB2   LEU   67  10.32 +/- 1.61   1.319% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LEU   67  14.78 +/- 2.70   0.469% *  0.0909% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  15.17 +/- 2.88   0.461% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 60.6:
          HA    LEU   67 - QD2   LEU   67   3.03 +/- 0.70  97.017% * 98.8214% (0.53   2.76  60.58) =  99.963%  kept
          HA    ASP-  76 - QD2   LEU   67  11.99 +/- 2.14   2.983% *  1.1786% (0.87   0.02   0.02) =   0.037%
    Distance limit 3.02 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.13, residual support = 60.5:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  69.457% * 96.8242% (0.73  10.0  1.00   3.14  60.58) =  99.838%  kept
        T HG    LEU   40 - QD1   LEU   67   6.52 +/- 1.78   7.775% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.093%
        T HB2   LYS+  74 - QD1   LEU   67   7.89 +/- 2.25   4.310% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.026%
          HB3   LEU   40 - QD1   LEU   67   6.86 +/- 2.17  14.266% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.026%
        T HG    LEU  115 - QD1   LEU   67  12.62 +/- 2.11   0.429% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T HG    LEU   73 - QD1   LEU   67   8.86 +/- 1.51   1.331% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - QD1   LEU   67  11.62 +/- 2.60   1.037% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - QD1   LEU   67  11.78 +/- 2.29   0.648% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  11.17 +/- 1.46   0.538% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  16.81 +/- 4.13   0.209% *  0.0332% (0.25   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 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.326, support = 3.21, residual support = 59.4:
      O T HB2   LEU   67 - QD1   LEU   67   2.42 +/- 0.30  76.618% * 75.9885% (0.31  10.0 10.00   3.25  60.58) =  97.202%  kept
          HG2   PRO   68 - QD1   LEU   67   6.63 +/- 0.87   7.222% * 22.9508% (0.92   1.0  1.00   2.02  18.73) =   2.767%  kept
          HB    ILE   19 - QD1   LEU   67   9.05 +/- 3.24   3.255% *  0.2136% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HB2   GLN   17 - QD1   LEU   67   9.24 +/- 4.68   7.876% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.009%
          HB2   LEU  115 - QD1   LEU   67  12.17 +/- 2.38   1.222% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU-  15 - QD1   LEU   67  10.23 +/- 3.32   1.969% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - QD1   LEU   67  12.75 +/- 1.65   0.708% *  0.1788% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU- 114 - QD1   LEU   67  13.65 +/- 2.07   0.574% *  0.1971% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   LEU   67  17.29 +/- 1.59   0.244% *  0.1104% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  16.86 +/- 2.33   0.313% *  0.0548% (0.22   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 3.21, residual support = 60.5:
      O   QD2   LEU   67 - HG    LEU   67   2.10 +/- 0.01  74.124% * 98.2876% (0.87  10.0  1.00   3.22  60.58) =  99.754%  kept
          QD2   LEU   67 - QG    LYS+  66   5.16 +/- 1.25  11.902% *  1.0011% (0.07   1.0  1.00   2.65  15.50) =   0.163%  kept
        T QD1   LEU   40 - HG    LEU   67   6.24 +/- 2.05   8.738% *  0.6873% (0.61   1.0 10.00   0.02   0.02) =   0.082%
          QG2   ILE  119 - HG    LEU   67  11.35 +/- 3.33   1.142% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.42 +/- 2.26   3.054% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66  10.03 +/- 2.36   1.040% *  0.0013% (0.01   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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  13.84 +/- 3.29  26.192% * 52.9912% (0.98   0.02   0.02) =  48.320%  kept
          QG1   VAL   83 - QD1   LEU   67  13.51 +/- 3.13  25.987% * 34.9728% (0.65   0.02   0.02) =  31.641%  kept
          QD1   LEU  104 - QD1   LEU   67  10.74 +/- 3.36  47.821% * 12.0360% (0.22   0.02   0.02) =  20.038%  kept
    Distance limit 3.22 A violated in 20 structures by 5.55 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.856, support = 3.11, residual support = 26.3:
        T HZ    PHE   72 - QD1   LEU   67   3.19 +/- 0.91  55.092% * 75.7718% (0.97 10.00   3.50  26.27) =  80.263%  kept
        T QD    PHE   72 - QD1   LEU   67   3.71 +/- 1.04  42.400% * 24.2087% (0.41 10.00   1.50  26.27) =  19.736%  kept
          QE    PHE   45 - QD1   LEU   67  10.56 +/- 1.41   2.509% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 3.88, residual support = 26.3:
          QE    PHE   72 - QD1   LEU   67   2.57 +/- 0.76  95.172% * 99.2304% (0.80   3.88  26.27) =  99.985%  kept
          QD    PHE   95 - QD1   LEU   67   8.89 +/- 1.64   3.614% *  0.1971% (0.31   0.02   0.02) =   0.008%
          HN    ALA   47 - QD1   LEU   67  13.63 +/- 2.13   1.214% *  0.5726% (0.90   0.02   0.02) =   0.007%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  16.55 +/- 2.04   7.030% * 57.9196% (0.73 10.00   0.02   0.02) =  53.699%  kept
        T HA    LEU  115 - HG    LEU   67  15.43 +/- 2.31   9.115% * 15.7849% (0.20 10.00   0.02   0.02) =  18.974%  kept
          HA    GLU-  36 - HG    LEU   67  16.47 +/- 3.84   9.702% *  7.5452% (0.95  1.00   0.02   0.02) =   9.654%  kept
          HA    ALA  124 - HG    LEU   67  17.88 +/- 4.84   8.829% *  6.6623% (0.84  1.00   0.02   0.02) =   7.758%  kept
          HA    LYS+  81 - HG    LEU   67  21.69 +/- 3.95   5.692% *  7.9057% (0.99  1.00   0.02   0.02) =   5.935%  kept
          HA    ASN   28 - HG    LEU   67  17.18 +/- 2.20   5.558% *  1.7758% (0.22  1.00   0.02   0.02) =   1.302%  kept
          HA    ARG+  54 - QG    LYS+  66  13.78 +/- 2.22  13.214% *  0.4459% (0.06  1.00   0.02   0.02) =   0.777%  kept
          HA    ALA  124 - QG    LYS+  66  16.16 +/- 3.73   9.605% *  0.5129% (0.06  1.00   0.02   0.02) =   0.650%  kept
          HA    GLU-  36 - QG    LYS+  66  19.09 +/- 4.48   6.334% *  0.5808% (0.07  1.00   0.02   0.02) =   0.485%  kept
          HA    LYS+  81 - QG    LYS+  66  20.88 +/- 3.94   5.466% *  0.6086% (0.08  1.00   0.02   0.02) =   0.439%  kept
          HA    LEU  115 - QG    LYS+  66  14.81 +/- 2.32  11.106% *  0.1215% (0.02  1.00   0.02   0.02) =   0.178%  kept
          HA    ASN   28 - QG    LYS+  66  18.25 +/- 4.49   8.350% *  0.1367% (0.02  1.00   0.02   0.02) =   0.151%  kept
    Distance limit 4.04 A violated in 20 structures by 5.30 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.88, residual support = 60.4:
      O   HA    LEU   67 - HG    LEU   67   3.37 +/- 0.53  72.085% * 98.0709% (0.15  10.0   3.88  60.58) =  99.562%  kept
          HA    LEU   67 - QG    LYS+  66   5.30 +/- 0.83  23.685% *  1.2685% (0.01   1.0   3.36  15.50) =   0.423%  kept
          HA    ASP-  76 - HG    LEU   67  13.91 +/- 2.45   1.572% *  0.6134% (0.97   1.0   0.02   0.02) =   0.014%
          HA    ASP-  76 - QG    LYS+  66  13.89 +/- 3.00   2.658% *  0.0472% (0.07   1.0   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.512, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  13.14 +/- 1.51   7.500% * 26.7757% (0.87   0.02   0.02) =  30.542%  kept
          QE    PHE   95 - HG    LEU   67  11.91 +/- 1.79  11.411% * 11.5851% (0.38   0.02   0.02) =  20.105%  kept
          QD    PHE   60 - HG    LEU   67   9.06 +/- 1.67  21.917% *  5.4059% (0.18   0.02   0.02) =  18.019%  kept
          QD    PHE   55 - HG    LEU   67  17.99 +/- 1.86   2.639% * 24.7171% (0.80   0.02   0.02) =   9.920%  kept
          HN    LYS+  81 - HG    LEU   67  21.01 +/- 3.80   4.162% * 13.8391% (0.45   0.02   0.02) =   8.760%  kept
          HN    THR   23 - HG    LEU   67  17.21 +/- 1.97   3.329% * 10.5293% (0.34   0.02   0.02) =   5.331%  kept
          HE3   TRP   27 - QG    LYS+  66  14.97 +/- 2.89   6.345% *  2.0612% (0.07   0.02   0.02) =   1.989%  kept
          QE    PHE   95 - QG    LYS+  66  11.79 +/- 1.55  10.743% *  0.8918% (0.03   0.02   0.02) =   1.457%  kept
          QD    PHE   55 - QG    LYS+  66  15.16 +/- 1.39   4.900% *  1.9027% (0.06   0.02   0.02) =   1.418%  kept
          QD    PHE   60 - QG    LYS+  66   9.57 +/- 0.98  18.112% *  0.4162% (0.01   0.02   0.02) =   1.146%  kept
          HN    LYS+  81 - QG    LYS+  66  20.35 +/- 4.08   5.397% *  1.0653% (0.03   0.02   0.02) =   0.875%  kept
          HN    THR   23 - QG    LYS+  66  17.15 +/- 2.71   3.545% *  0.8106% (0.03   0.02   0.02) =   0.437%  kept
    Distance limit 3.83 A violated in 19 structures by 3.45 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.296, support = 3.02, residual support = 60.3:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  94.860% * 75.0293% (0.29  10.0 10.00   3.02  60.58) =  99.264%  kept
          HG2   PRO   68 - HB3   LEU   67   6.18 +/- 0.52   2.333% * 22.0256% (0.87   1.0  1.00   1.96  18.73) =   0.717%  kept
        T HB    ILE   19 - HB3   LEU   67  11.54 +/- 3.53   0.572% *  2.1086% (0.82   1.0 10.00   0.02   0.02) =   0.017%
          HB2   GLN   17 - HB3   LEU   67  11.12 +/- 5.40   0.956% *  0.0676% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HB3   LEU   67  12.10 +/- 4.22   0.622% *  0.0676% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HB3   LEU   67  14.77 +/- 2.61   0.215% *  0.1670% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HB3   LEU   67  15.18 +/- 1.98   0.172% *  0.1765% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.52 +/- 2.50   0.140% *  0.1947% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  21.73 +/- 1.49   0.053% *  0.1090% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.37 +/- 3.03   0.076% *  0.0541% (0.21   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 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  13.61 +/- 2.12 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.73 A violated in 20 structures by 9.88 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.535, support = 4.39, residual support = 60.6:
      O   HN    LEU   67 - HB3   LEU   67   3.23 +/- 0.55  88.892% * 99.4441% (0.54  10.0   4.39  60.58) =  99.986%  kept
          HD21  ASN   35 - HB3   LEU   67  16.53 +/- 5.19   5.199% *  0.1524% (0.82   1.0   0.02   0.02) =   0.009%
          HD2   HIS   22 - HB3   LEU   67  16.86 +/- 3.09   0.863% *  0.1722% (0.93   1.0   0.02   0.02) =   0.002%
          QE    PHE   95 - HB3   LEU   67  11.29 +/- 2.45   3.615% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   LEU   67  20.94 +/- 4.45   0.653% *  0.1575% (0.85   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  17.07 +/- 2.07   0.777% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.07, residual support = 60.6:
      O   HA    LEU   67 - HB2   LEU   67   2.71 +/- 0.24  98.896% * 99.8354% (0.38  10.0   5.08  60.58) =  99.998%  kept
          HA    ASP-  76 - HB2   LEU   67  13.88 +/- 1.97   1.104% *  0.1646% (0.63   1.0   0.02   0.02) =   0.002%
    Distance limit 3.85 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 = 3.07, residual support = 26.3:
          QE    PHE   72 - HB2   LEU   67   3.13 +/- 0.76  96.317% * 99.0285% (0.58   3.07  26.27) =  99.986%  kept
          QD    PHE   95 - HB2   LEU   67  11.24 +/- 1.84   2.806% *  0.2488% (0.22   0.02   0.02) =   0.007%
          HN    ALA   47 - HB2   LEU   67  17.13 +/- 2.77   0.876% *  0.7228% (0.65   0.02   0.02) =   0.007%
    Distance limit 3.79 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.1, residual support = 60.6:
      O   HN    LEU   67 - HB2   LEU   67   3.01 +/- 0.42  89.204% * 99.6033% (0.70  10.0   5.10  60.58) =  99.994%  kept
          QE    PHE   95 - HB2   LEU   67  11.36 +/- 2.19   2.959% *  0.0626% (0.44   1.0   0.02   0.02) =   0.002%
          HD21  ASN   35 - HB2   LEU   67  16.13 +/- 4.84   3.720% *  0.0424% (0.30   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB2   LEU   67  16.57 +/- 2.94   0.733% *  0.0862% (0.61   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  21.23 +/- 4.05   0.524% *  0.0976% (0.69   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  16.84 +/- 1.95   0.640% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  12.63 +/- 1.64   1.688% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.51 +/- 1.99   0.532% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.04, residual support = 26.3:
        T HZ    PHE   72 - HB2   LEU   67   4.37 +/- 1.17  94.720% * 99.9822% (0.63 10.00   3.04  26.27) =  99.999%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.95 +/- 3.15   5.280% *  0.0178% (0.11  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 2 structures by 0.67 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 4.05, residual support = 63.3:
      O T HA    VAL   24 - HB    VAL   24   2.53 +/- 0.29  76.026% * 82.3820% (0.57  10.0 10.00   3.97  64.94) =  94.415%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.92 +/- 0.13  22.590% * 16.3856% (0.11  10.0  1.00   5.47  36.05) =   5.580%  kept
        T HA    VAL   24 - HB2   PRO   68  21.71 +/- 3.43   0.207% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  38 - HB2   PRO   68  15.16 +/- 2.74   0.783% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.33 +/- 1.17   0.197% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  21.68 +/- 2.95   0.198% *  0.0133% (0.09   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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.24, residual support = 64.9:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.02  93.261% * 98.0584% (0.63  10.0 10.00   3.24  64.94) =  99.994%  kept
        T QG1   VAL   24 - HB2   PRO   68  20.43 +/- 3.32   0.171% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL  107 - HB    VAL   24  17.21 +/- 4.66   1.367% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB    VAL   24   8.95 +/- 1.64   2.256% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.38 +/- 0.71   0.625% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.40 +/- 4.10   0.517% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  18.80 +/- 3.48   0.254% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.13 +/- 2.72   0.284% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.66 +/- 3.84   0.785% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  21.82 +/- 5.58   0.251% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.42 +/- 3.38   0.115% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  24.75 +/- 5.39   0.113% *  0.1041% (0.67   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.352, support = 5.67, residual support = 30.8:
      O   HN    ASN   69 - HB2   PRO   68   3.65 +/- 0.61  43.610% * 67.4403% (0.34  10.0   5.84  30.96) =  76.567%  kept
          HN    GLU-  25 - HB    VAL   24   3.76 +/- 0.56  40.506% * 17.5889% (0.31   1.0   5.87  34.13) =  18.548%  kept
          HN    ASN   28 - HB    VAL   24   5.66 +/- 0.22  12.891% * 14.5391% (0.66   1.0   2.25  14.76) =   4.879%  kept
          HN    ASP-  44 - HB    VAL   24  13.62 +/- 2.84   1.255% *  0.0650% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   PRO   68  15.68 +/- 2.44   0.832% *  0.0798% (0.41   1.0   0.02   0.02) =   0.002%
          HN    ASN   28 - HB2   PRO   68  21.39 +/- 3.23   0.354% *  0.1583% (0.81   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  24.25 +/- 3.37   0.246% *  0.0735% (0.37   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  21.52 +/- 2.75   0.305% *  0.0549% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 64.9:
      O   HN    VAL   24 - HB    VAL   24   2.51 +/- 0.14  99.792% * 99.8774% (0.33  10.0   4.68  64.94) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  23.45 +/- 3.50   0.208% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.07, residual support = 36.0:
      O   HD3   PRO   68 - HG2   PRO   68   2.57 +/- 0.30  97.723% * 99.5120% (0.57  10.0   3.07  36.05) =  99.998%  kept
          HB2   PHE   59 - HG2   PRO   68  14.63 +/- 3.50   1.202% *  0.0580% (0.33   1.0   0.02   0.02) =   0.001%
          HB3   CYS   53 - HG2   PRO   68  20.54 +/- 3.14   0.262% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  19.22 +/- 2.31   0.313% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  21.76 +/- 3.82   0.268% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  21.10 +/- 3.33   0.233% *  0.1189% (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 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 36.0:
      O   HD2   PRO   68 - HG2   PRO   68   2.62 +/- 0.29  97.362% * 99.8205% (0.63  10.0   2.91  36.05) =  99.999%  kept
          HA    ALA   61 - HG2   PRO   68  12.71 +/- 1.22   0.982% *  0.0826% (0.52   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   PRO   68  21.64 +/- 3.12   0.230% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.30 +/- 3.02   0.898% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  16.87 +/- 3.05   0.527% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.701, support = 4.81, residual support = 64.9:
      O   HD3   PRO   68 - HG3   PRO   68   2.63 +/- 0.30  42.842% * 69.3902% (0.84  10.0  1.00   4.79  36.05) =  76.529%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.74 +/- 0.28  38.921% * 22.1189% (0.27  10.0 10.00   4.94 167.85) =  22.162%  kept
          QB    PHE   55 - HG2   ARG+  54   5.36 +/- 1.47  11.834% *  3.0404% (0.20   1.0  1.00   3.59   4.27) =   0.926%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.27 +/- 0.70   3.414% *  4.3156% (0.26   1.0  1.00   3.97  31.69) =   0.379%  kept
        T HD2   ARG+  54 - HG3   PRO   68  20.96 +/- 3.45   0.107% *  0.8289% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   ARG+  54  10.71 +/- 2.89   1.236% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   PRO   68  14.62 +/- 3.58   0.414% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  21.68 +/- 4.13   0.187% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  20.47 +/- 3.29   0.118% *  0.0814% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.18 +/- 2.41   0.123% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.82 +/- 1.03   0.648% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  18.55 +/- 3.11   0.158% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.0:
      O   HD2   PRO   68 - HG3   PRO   68   2.56 +/- 0.28  89.176% * 99.5569% (0.92  10.0  1.00   4.62  36.05) =  99.996%  kept
        T HA    LYS+  38 - HG3   PRO   68  15.53 +/- 2.81   0.835% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   61 - HG3   PRO   68  12.65 +/- 1.46   1.053% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HG2   ARG+  54  10.89 +/- 2.16   2.016% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   7.09 +/- 1.10   5.284% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  21.74 +/- 3.19   0.303% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  18.90 +/- 3.22   0.327% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  16.84 +/- 3.14   0.550% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.84 +/- 4.34   0.363% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  27.23 +/- 3.12   0.093% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 36.0:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  87.323% * 98.5022% (0.98  10.0 10.00   5.16  36.05) =  99.996%  kept
        T HD3   PRO   93 - HD2   PRO   68  20.03 +/- 3.90   0.160% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HD3   PRO   58   4.83 +/- 0.94   5.720% *  0.0070% (0.07   1.0  1.00   0.02  39.90) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.96 +/- 2.51   0.532% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.31 +/- 3.21   0.342% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.81 +/- 1.13   2.967% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  15.28 +/- 2.73   0.179% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  18.11 +/- 2.20   0.092% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   7.78 +/- 1.49   1.594% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  18.98 +/- 3.05   0.095% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.90 +/- 1.63   0.921% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  19.91 +/- 3.08   0.073% *  0.0768% (0.76   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 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.16, residual support = 36.0:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  95.634% * 99.4504% (0.92  10.0 10.00   5.16  36.05) =  99.998%  kept
          HA    ALA   61 - HD3   PRO   68  10.69 +/- 1.09   0.470% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  20.03 +/- 3.90   0.175% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  11.79 +/- 2.80   1.952% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  15.28 +/- 2.73   0.196% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.96 +/- 2.51   0.583% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  20.13 +/- 2.97   0.108% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.49 +/- 3.81   0.576% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.26 +/- 2.71   0.251% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  24.85 +/- 3.50   0.055% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.1, residual support = 18.7:
      O   HA    LEU   67 - HD3   PRO   68   2.09 +/- 0.18  97.173% * 99.7870% (0.53  10.0   5.10  18.73) =  99.998%  kept
          HA    ASP-  76 - HD3   PRO   68  16.27 +/- 3.35   0.795% *  0.1645% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   93  11.50 +/- 2.72   1.768% *  0.0302% (0.16   1.0   0.02   0.02) =   0.001%
          HA    LEU   67 - HD3   PRO   93  18.75 +/- 3.44   0.263% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.52, residual support = 18.7:
      O   HA    LEU   67 - HD2   PRO   68   2.34 +/- 0.21  98.182% * 99.8155% (0.53  10.0   4.52  18.73) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.47 +/- 2.97   0.806% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  15.66 +/- 3.02   0.517% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  14.51 +/- 2.25   0.495% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.61, residual support = 59.0:
      O   HD21  ASN   69 - HB2   ASN   69   3.05 +/- 0.56  89.789% * 99.5864% (0.65  10.0   3.61  58.99) =  99.987%  kept
          HN    GLN   17 - HB2   ASN   69  11.62 +/- 6.42   8.136% *  0.1286% (0.84   1.0   0.02   0.02) =   0.012%
          HN    ALA   61 - HB2   ASN   69  15.09 +/- 2.44   1.183% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB2   ASN   69  29.00 +/- 6.52   0.223% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  28.15 +/- 5.03   0.194% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  25.82 +/- 4.64   0.476% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 5.36, residual support = 59.0:
      O   HN    ASN   69 - HB2   ASN   69   3.23 +/- 0.49  97.788% * 99.9414% (0.97  10.0   5.36  58.99) =  99.999%  kept
          HN    GLY  101 - HB2   ASN   69  18.40 +/- 7.33   1.642% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  20.22 +/- 2.12   0.570% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.57, residual support = 59.0:
      O   HD21  ASN   69 - HB3   ASN   69   2.83 +/- 0.67  88.165% * 99.7810% (0.99  10.0   3.57  58.99) =  99.987%  kept
          HN    GLN   17 - HB3   ASN   69  11.28 +/- 5.91  11.275% *  0.0987% (0.98   1.0   0.02   0.02) =   0.013%
          HN    TRP   87 - HB3   ASN   69  28.18 +/- 5.03   0.305% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  28.97 +/- 6.58   0.254% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 4.85, residual support = 59.0:
      O   HN    ASN   69 - HB3   ASN   69   3.11 +/- 0.48  98.365% * 99.9414% (0.97  10.0   4.85  58.99) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  18.38 +/- 7.09   1.194% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.17 +/- 2.25   0.441% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 3.04, residual support = 58.7:
          HD21  ASN   69 - HA    ASN   69   3.88 +/- 0.40  74.516% * 89.7176% (0.20   3.05  58.99) =  99.558%  kept
          HN    GLN   17 - HA    ASN   69  10.28 +/- 7.14  21.486% *  1.0146% (0.34   0.02   0.02) =   0.325%  kept
          HN    ALA   61 - HA    ASN   69  14.76 +/- 1.66   1.808% *  2.3816% (0.80   0.02   0.02) =   0.064%
          HN    ALA   91 - HA    ASN   69  25.51 +/- 4.36   0.723% *  2.1598% (0.73   0.02   0.02) =   0.023%
          HN    TRP   27 - HA    ASN   69  18.96 +/- 1.98   0.878% *  1.1163% (0.38   0.02   0.02) =   0.015%
          HE3   TRP   87 - HA    ASN   69  28.75 +/- 6.07   0.295% *  2.9480% (0.99   0.02   0.02) =   0.013%
          HN    TRP   87 - HA    ASN   69  27.78 +/- 4.59   0.295% *  0.6622% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.86 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  14.40 +/- 2.43 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.66 A violated in 20 structures by 10.74 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.384, support = 0.02, residual support = 0.02:
        T QB    ALA   88 - HB2   SER   82  10.58 +/- 1.90   8.757% * 37.0886% (0.42 10.00   0.02   0.02) =  43.955%  kept
        T QB    ALA   88 - HA    SER   48  11.42 +/- 3.72  10.628% * 17.4364% (0.20 10.00   0.02   0.02) =  25.080%  kept
          HG2   LYS+  38 - HA    VAL   70  10.79 +/- 2.92  11.011% *  4.6421% (0.53  1.00   0.02   0.02) =   6.918%  kept
          QG2   THR   77 - HB2   SER   82   9.79 +/- 2.15  10.597% *  4.2379% (0.48  1.00   0.02   0.02) =   6.078%  kept
          QG2   THR   77 - HA    SER   48   8.23 +/- 3.27  16.609% *  1.9923% (0.23  1.00   0.02   0.02) =   4.478%  kept
          QG2   THR   77 - HA    VAL   70  14.63 +/- 1.27   3.629% *  8.7452% (0.99  1.00   0.02   0.02) =   4.295%  kept
          HG2   LYS+  99 - HA    VAL   70  13.83 +/- 6.98   8.640% *  3.6274% (0.41  1.00   0.02   0.02) =   4.242%  kept
          QG2   THR   23 - HB2   SER   82  17.74 +/- 8.46   9.402% *  0.9519% (0.11  1.00   0.02   0.02) =   1.211%  kept
          QB    ALA   88 - HA    VAL   70  23.01 +/- 3.45   0.955% *  7.6536% (0.87  1.00   0.02   0.02) =   0.989%  kept
          QG2   THR   23 - HA    VAL   70  16.70 +/- 1.75   2.298% *  1.9644% (0.22  1.00   0.02   0.02) =   0.611%  kept
          HB2   LEU   31 - HA    VAL   70  13.81 +/- 2.25   2.784% *  1.3614% (0.15  1.00   0.02   0.02) =   0.513%  kept
          HB2   LEU   31 - HB2   SER   82  21.63 +/- 7.33   4.274% *  0.6597% (0.07  1.00   0.02   0.02) =   0.382%  kept
          HG2   LYS+ 111 - HB2   SER   82  24.28 +/- 4.99   2.466% *  0.8462% (0.10  1.00   0.02   0.02) =   0.282%  kept
          HG2   LYS+ 111 - HA    VAL   70  22.83 +/- 3.28   0.888% *  1.7461% (0.20  1.00   0.02   0.02) =   0.210%  kept
          HG2   LYS+  38 - HB2   SER   82  27.27 +/- 6.51   0.661% *  2.2495% (0.25  1.00   0.02   0.02) =   0.201%  kept
          HG2   LYS+  99 - HB2   SER   82  25.44 +/- 5.58   0.840% *  1.7578% (0.20  1.00   0.02   0.02) =   0.200%  kept
          QG2   THR   23 - HA    SER   48  20.32 +/- 4.30   1.858% *  0.4475% (0.05  1.00   0.02   0.02) =   0.113%  kept
          HG2   LYS+ 111 - HA    SER   48  18.76 +/- 2.23   1.400% *  0.3978% (0.05  1.00   0.02   0.02) =   0.075%
          HB2   LEU   31 - HA    SER   48  24.42 +/- 3.42   1.456% *  0.3102% (0.04  1.00   0.02   0.02) =   0.061%
          HG2   LYS+  99 - HA    SER   48  27.10 +/- 3.16   0.484% *  0.8264% (0.09  1.00   0.02   0.02) =   0.054%
          HG2   LYS+  38 - HA    SER   48  28.35 +/- 2.97   0.363% *  1.0576% (0.12  1.00   0.02   0.02) =   0.052%
    Distance limit 3.57 A violated in 14 structures by 2.10 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.88, residual support = 34.2:
      O   HN    LEU   71 - HA    VAL   70   2.23 +/- 0.05  97.170% * 99.7573% (0.87  10.0   5.88  34.20) =  99.999%  kept
          HN    THR   26 - HB2   SER   82  20.89 +/- 9.35   1.087% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  19.86 +/- 2.84   0.189% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  17.23 +/- 3.33   0.389% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.93 +/- 1.50   0.204% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.63 +/- 3.50   0.102% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  21.75 +/- 2.92   0.127% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  18.79 +/- 2.57   0.202% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  25.44 +/- 3.72   0.088% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  18.51 +/- 3.10   0.252% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  24.40 +/- 4.54   0.120% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  25.96 +/- 2.67   0.069% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.879, support = 3.41, residual support = 48.9:
        T HZ    PHE   72 - HB    VAL   70   4.59 +/- 0.69  20.071% * 93.4472% (1.00 10.00   3.30  48.95) =  82.799%  kept
          QD    PHE   72 - HB    VAL   70   2.89 +/- 0.55  67.161% *  5.7437% (0.31  1.00   3.97  48.95) =  17.030%  kept
        T HZ    PHE   72 - QG    GLN   17  10.89 +/- 4.65   4.887% *  0.7843% (0.19 10.00   0.09   0.02) =   0.169%  kept
          QD    PHE   72 - QG    GLN   17   8.96 +/- 3.66   5.889% *  0.0054% (0.06  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - HB    VAL   70  12.90 +/- 1.55   0.916% *  0.0164% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  16.45 +/- 4.25   1.076% *  0.0030% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 4.45, residual support = 48.9:
          QE    PHE   72 - HB    VAL   70   2.50 +/- 0.75  86.154% * 98.9584% (0.73   4.45  48.95) =  99.981%  kept
          QE    PHE   72 - QG    GLN   17   9.25 +/- 3.99  10.801% *  0.0826% (0.13   0.02   0.02) =   0.010%
          QD    PHE   95 - HB    VAL   70  10.77 +/- 2.12   1.627% *  0.2297% (0.38   0.02   0.02) =   0.004%
          HN    ALA   47 - HB    VAL   70  17.36 +/- 2.15   0.426% *  0.5791% (0.95   0.02   0.02) =   0.003%
          HN    ALA   47 - QG    GLN   17  20.31 +/- 4.88   0.363% *  0.1076% (0.18   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  15.31 +/- 2.55   0.629% *  0.0427% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 79.3:
      O   HN    VAL   70 - HB    VAL   70   2.84 +/- 0.35  88.440% * 99.9336% (0.76  10.0   4.31  79.28) =  99.998%  kept
          HN    VAL   70 - QG    GLN   17   9.39 +/- 5.29  10.094% *  0.0186% (0.14   1.0   0.02   0.02) =   0.002%
          HN    GLU-  79 - HB    VAL   70  17.35 +/- 1.58   0.490% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  19.17 +/- 6.18   0.977% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 79.3:
          HN    VAL   70 - QG1   VAL   70   2.20 +/- 0.29  98.622% * 98.2561% (0.28   4.77  79.28) =  99.989%  kept
          HN    GLU-  79 - QG1   VAL   70  15.45 +/- 1.95   0.487% *  1.1874% (0.80   0.02   0.02) =   0.006%
          HN    THR   94 - QG1   VAL   70  12.53 +/- 1.77   0.891% *  0.5565% (0.38   0.02   0.02) =   0.005%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.569, support = 1.39, residual support = 0.523:
          HN    VAL   42 - QG2   VAL   70   4.33 +/- 1.61  48.169% * 26.7137% (0.52   1.12   0.41) =  40.175%  kept
          HN    LEU   73 - QG2   VAL   70   5.92 +/- 0.61  26.678% * 47.7095% (0.52   2.00   0.82) =  39.738%  kept
          HN    ILE   19 - QG2   VAL   70   7.70 +/- 3.39  25.154% * 25.5768% (0.77   0.72   0.16) =  20.087%  kept
    Distance limit 3.90 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.673, support = 5.04, residual support = 32.1:
        T HG    LEU   40 - QG2   VAL   70   3.40 +/- 0.81  26.163% * 47.3108% (0.80 10.00   5.63  33.77) =  70.698%  kept
        T HB3   LEU   40 - QG2   VAL   70   3.75 +/- 1.04  21.651% * 19.4933% (0.33 10.00   3.99  33.77) =  24.105%  kept
        T HG    LEU   73 - QG2   VAL   70   7.92 +/- 0.95   2.171% * 30.6737% (0.52 10.00   2.36   0.82) =   3.803%  kept
          HG    LEU   67 - QG2   VAL   70   4.66 +/- 1.20  12.965% *  1.4156% (0.79  1.00   0.60   0.34) =   1.048%  kept
          HB3   LEU   67 - QG2   VAL   70   4.20 +/- 1.21  18.517% *  0.2303% (0.22  1.00   0.35   0.34) =   0.244%  kept
        T HB3   LEU  115 - QG2   VAL   70  11.01 +/- 2.37   2.481% *  0.4731% (0.80 10.00   0.02   0.02) =   0.067%
        T HG    LEU  115 - QG2   VAL   70  11.93 +/- 2.48   1.302% *  0.3067% (0.52 10.00   0.02   0.02) =   0.023%
          QB    ALA   61 - QG2   VAL   70   7.75 +/- 1.59   9.358% *  0.0083% (0.14  1.00   0.02   0.02) =   0.004%
          QG    LYS+  66 - QG2   VAL   70   8.08 +/- 1.41   3.156% *  0.0213% (0.36  1.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QG2   VAL   70  10.49 +/- 2.75   1.698% *  0.0307% (0.52  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - QG2   VAL   70  14.67 +/- 4.46   0.537% *  0.0362% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.628, support = 3.91, residual support = 48.9:
        T QD    PHE   72 - QG2   VAL   70   1.95 +/- 0.29  86.442% * 55.2900% (0.64 10.00   3.83  48.95) =  89.441%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.27 +/- 0.51  12.631% * 44.6681% (0.52 10.00   4.64  48.95) =  10.558%  kept
          QE    PHE   45 - QG2   VAL   70  10.03 +/- 1.45   0.927% *  0.0419% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 5.32, residual support = 48.9:
          QE    PHE   72 - QG2   VAL   70   2.63 +/- 0.52  97.357% * 99.6750% (0.80   5.32  48.95) =  99.996%  kept
          HD22  ASN   28 - QG2   VAL   70  12.41 +/- 1.59   1.825% *  0.1278% (0.27   0.02   0.02) =   0.002%
          HN    ALA   47 - QG2   VAL   70  14.31 +/- 1.61   0.818% *  0.1972% (0.42   0.02   0.02) =   0.002%
    Distance limit 3.85 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 = 6.36, residual support = 34.2:
          HN    LEU   71 - QG2   VAL   70   3.01 +/- 0.51  87.922% * 99.3769% (0.76   6.36  34.20) =  99.986%  kept
          HN    THR  118 - QG2   VAL   70  11.03 +/- 2.79   3.507% *  0.0919% (0.22   0.02   0.02) =   0.004%
          HN    GLN  116 - QG2   VAL   70  12.57 +/- 2.51   1.840% *  0.1739% (0.42   0.02   0.02) =   0.004%
          HN    GLU- 114 - QG2   VAL   70  14.66 +/- 2.11   0.986% *  0.3126% (0.76   0.02   0.02) =   0.004%
          HN    PHE   60 - QG2   VAL   70   8.75 +/- 1.76   5.745% *  0.0447% (0.11   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.689, support = 2.89, residual support = 48.9:
        T HZ    PHE   72 - QG1   VAL   70   4.67 +/- 0.86  34.196% * 82.8812% (0.65 10.00   2.73  48.95) =  72.532%  kept
          QD    PHE   72 - QG1   VAL   70   3.72 +/- 0.72  62.971% * 17.0411% (0.80  1.00   3.32  48.95) =  27.462%  kept
          QE    PHE   45 - QG1   VAL   70  11.25 +/- 1.48   2.833% *  0.0777% (0.61  1.00   0.02   0.02) =   0.006%
    Distance limit 3.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.905, support = 0.02, residual support = 0.565:
          HA    VAL   41 - HB2   LEU   71   6.74 +/- 2.61  66.218% * 38.1801% (0.92   0.02   0.76) =  73.690%  kept
          HA    HIS  122 - HB2   LEU   71  14.28 +/- 4.81  18.838% * 39.9153% (0.97   0.02   0.02) =  21.916%  kept
          HA    PHE   45 - HB2   LEU   71  16.43 +/- 2.30   6.057% * 15.5229% (0.38   0.02   0.02) =   2.740%  kept
          HA    MET   92 - HB2   LEU   71  21.86 +/- 3.12   8.887% *  6.3817% (0.15   0.02   0.02) =   1.653%  kept
    Distance limit 3.71 A violated in 16 structures by 2.79 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 = 137.9:
      O   HN    LEU   71 - HB2   LEU   71   2.85 +/- 0.45  96.237% * 99.8011% (0.95  10.0   6.33 137.85) =  99.999%  kept
          HN    THR  118 - HB2   LEU   71  17.65 +/- 3.75   1.442% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  22.09 +/- 2.82   0.384% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  19.63 +/- 2.85   0.611% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   LEU   71  14.97 +/- 2.05   1.327% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 137.9:
      O   HN    LEU   71 - HB3   LEU   71   3.42 +/- 0.38  95.583% * 99.8011% (0.95  10.0   6.26 137.85) =  99.998%  kept
          HN    GLU- 114 - HB3   LEU   71  22.47 +/- 2.76   0.447% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  18.09 +/- 3.81   1.506% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  19.94 +/- 2.86   0.694% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   71  15.02 +/- 1.97   1.770% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 4.92, residual support = 137.8:
      O   HB2   LEU   71 - HG    LEU   71   2.58 +/- 0.20  63.140% * 99.3720% (0.97  10.0   4.92 137.85) =  99.982%  kept
          QB    LYS+  65 - HG    LEU   71  11.87 +/- 2.91   3.385% *  0.1009% (0.98   1.0   0.02   0.02) =   0.005%
          HB3   GLN   17 - HG    LEU   71  10.39 +/- 6.00   4.470% *  0.0501% (0.49   1.0   0.02   0.02) =   0.004%
          HB2   LEU   71 - HG13  ILE   19   7.89 +/- 5.29  12.990% *  0.0142% (0.14   1.0   0.02   1.25) =   0.003%
          HB    VAL   41 - HG    LEU   71   9.32 +/- 2.59   2.420% *  0.0501% (0.49   1.0   0.02   0.76) =   0.002%
          QB    LYS+  66 - HG    LEU   71  11.26 +/- 2.19   1.335% *  0.0707% (0.69   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HG    LEU   71  16.90 +/- 4.55   0.516% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.50 +/- 1.15   5.473% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG    LEU   71  19.86 +/- 3.88   0.326% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  16.46 +/- 3.39   0.344% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  11.01 +/- 4.06   1.663% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  12.96 +/- 3.17   0.789% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  16.18 +/- 5.05   0.559% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.19 +/- 2.57   0.693% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  17.89 +/- 4.66   0.328% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  20.98 +/- 4.56   0.311% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  19.09 +/- 4.15   0.828% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.83 +/- 3.93   0.274% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.42 +/- 3.04   0.086% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  27.00 +/- 3.57   0.069% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.74, residual support = 137.8:
          HN    LEU   71 - QD2   LEU   71   2.81 +/- 1.08  93.368% * 99.7027% (0.87   6.74 137.85) =  99.994%  kept
          HN    THR   26 - QD2   LEU   71  13.61 +/- 2.44   3.392% *  0.0851% (0.25   0.02   0.02) =   0.003%
          HN    GLU- 114 - QD2   LEU   71  17.72 +/- 2.82   1.290% *  0.1660% (0.49   0.02   0.02) =   0.002%
          HN    GLN  116 - QD2   LEU   71  15.52 +/- 2.95   1.950% *  0.0462% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.46, residual support = 19.7:
          HN    PHE   72 - QD2   LEU   71   3.88 +/- 0.37  96.529% * 99.5802% (0.73   5.46  19.74) =  99.985%  kept
          HN    LEU  104 - QD2   LEU   71  13.78 +/- 2.92   3.471% *  0.4198% (0.84   0.02   0.02) =   0.015%
    Distance limit 3.38 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 5.45, residual support = 43.2:
      O   HN    LEU   73 - HA    PHE   72   2.63 +/- 0.15  53.626% * 93.7208% (0.61  10.0   5.58  44.40) =  97.107%  kept
          HN    VAL   42 - HA    PHE   72   4.77 +/- 2.59  24.747% *  5.1884% (0.61   1.0   1.11   4.35) =   2.481%  kept
          HN    ILE   19 - HA    PHE   72   6.49 +/- 5.48  21.381% *  0.9970% (0.13   1.0   0.97   1.02) =   0.412%  kept
          HN    LYS+ 106 - HA    PHE   72  16.91 +/- 3.04   0.246% *  0.0937% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 5.04, residual support = 90.3:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.01  98.623% * 99.9786% (0.71  10.0   5.04  90.35) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  14.19 +/- 4.19   1.377% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.447, support = 1.97, residual support = 29.0:
          HG    LEU   73 - HA    PHE   72   4.98 +/- 1.09  26.386% * 47.0376% (0.37   2.65  44.40) =  62.595%  kept
          HG12  ILE   19 - HA    PHE   72   6.59 +/- 4.90  30.336% * 13.2238% (0.74   0.38   1.02) =  20.232%  kept
          HB3   LYS+  74 - HA    PHE   72   7.72 +/- 1.38  10.876% * 24.8895% (0.31   1.66   1.49) =  13.652%  kept
          HB3   LEU   67 - HA    PHE   72   8.38 +/- 1.37   5.249% * 11.0022% (0.66   0.35  26.27) =   2.913%  kept
          QB    ALA   61 - HA    PHE   72  10.08 +/- 2.48   8.027% *  0.7046% (0.74   0.02   0.02) =   0.285%  kept
          HD3   LYS+ 121 - HA    PHE   72  16.11 +/- 4.75   8.599% *  0.3273% (0.34   0.02   0.02) =   0.142%  kept
          QG    LYS+  66 - HA    PHE   72  11.86 +/- 1.56   2.564% *  0.5015% (0.52   0.02   0.23) =   0.065%
          QB    LEU   98 - HA    PHE   72  10.59 +/- 4.23   5.036% *  0.1445% (0.15   0.02   0.02) =   0.037%
          HG    LEU   80 - HA    PHE   72  16.83 +/- 3.78   0.879% *  0.7285% (0.76   0.02   0.02) =   0.032%
          QB    ALA  110 - HA    PHE   72  17.96 +/- 2.59   0.554% *  0.7236% (0.76   0.02   0.02) =   0.020%
          HB2   LEU   80 - HA    PHE   72  16.76 +/- 3.10   0.778% *  0.4428% (0.46   0.02   0.02) =   0.017%
          HG2   LYS+ 102 - HA    PHE   72  18.11 +/- 4.91   0.716% *  0.2740% (0.29   0.02   0.02) =   0.010%
    Distance limit 3.56 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.58, residual support = 44.3:
          QD2   LEU   73 - HB2   PHE   72   3.18 +/- 0.48  57.753% * 98.7334% (0.82   5.59  44.40) =  99.837%  kept
          QG1   VAL   43 - HB2   PHE   72   6.35 +/- 2.37  15.368% *  0.3107% (0.17   0.09   0.02) =   0.084%
          QG1   VAL   41 - HB2   PHE   72   5.90 +/- 2.23  18.555% *  0.1230% (0.28   0.02   0.02) =   0.040%
          HG    LEU   31 - HB2   PHE   72   8.89 +/- 2.21   4.094% *  0.3233% (0.75   0.02   0.02) =   0.023%
          QD1   ILE   56 - HB2   PHE   72  12.28 +/- 1.48   1.347% *  0.3479% (0.81   0.02   0.02) =   0.008%
          HG3   LYS+ 121 - HB2   PHE   72  16.00 +/- 3.92   2.884% *  0.1616% (0.37   0.02   0.02) =   0.008%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.33, residual support = 47.8:
        T QB    ALA   64 - HB2   PHE   72   4.62 +/- 1.42  94.115% * 99.9825% (0.84 10.00   3.33  47.83) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  14.56 +/- 1.81   5.885% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 5 structures by 1.14 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.718, support = 6.02, residual support = 43.6:
          QD2   LEU   73 - HB3   PHE   72   4.01 +/- 0.68  35.429% * 95.4055% (0.72   6.13  44.40) =  98.125%  kept
          QG2   VAL   18 - HB3   PHE   72   7.90 +/- 4.23  15.465% *  2.6456% (0.33   0.38   1.42) =   1.188%  kept
          QG1   VAL   43 - HB3   PHE   72   6.91 +/- 2.15  13.558% *  0.9837% (0.53   0.09   0.02) =   0.387%  kept
          QG1   VAL   41 - HB3   PHE   72   5.64 +/- 2.40  27.230% *  0.2983% (0.69   0.02   0.02) =   0.236%  kept
          HG    LEU   31 - HB3   PHE   72   9.56 +/- 2.08   4.778% *  0.3524% (0.82   0.02   0.02) =   0.049%
          QD1   ILE   56 - HB3   PHE   72  12.30 +/- 1.54   1.571% *  0.2109% (0.49   0.02   0.02) =   0.010%
          QG2   THR   46 - HB3   PHE   72  11.84 +/- 2.77   1.969% *  0.1036% (0.24   0.02   0.02) =   0.006%
    Distance limit 3.63 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.73, residual support = 47.8:
        T QB    ALA   64 - HB3   PHE   72   4.76 +/- 1.54  77.149% * 99.9693% (0.63 10.00   3.73  47.83) =  99.991%  kept
          QD1   LEU  115 - HB3   PHE   72  12.23 +/- 2.89  22.851% *  0.0307% (0.19  1.00   0.02   0.02) =   0.009%
    Distance limit 3.69 A violated in 11 structures by 1.29 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.535, support = 1.08, residual support = 9.95:
        T HA    VAL   18 - HB2   PHE   72   7.67 +/- 5.29  39.908% * 70.8042% (0.47 10.00   0.92   1.42) =  80.370%  kept
          HA    VAL   70 - HB2   PHE   72   6.60 +/- 0.63  25.895% * 24.4368% (0.82  1.00   1.83  48.95) =  17.998%  kept
          HB2   SER   37 - HB2   PHE   72  10.48 +/- 2.30  14.068% *  3.8644% (0.51  1.00   0.47   0.02) =   1.546%  kept
          HA    GLN  116 - HB2   PHE   72  15.85 +/- 3.12   3.209% *  0.2664% (0.82  1.00   0.02   0.02) =   0.024%
          HA    LYS+  33 - HB2   PHE   72  12.40 +/- 1.05   3.787% *  0.2077% (0.64  1.00   0.02   0.02) =   0.022%
          HA    GLU-  29 - HB2   PHE   72  12.88 +/- 1.47   3.579% *  0.1649% (0.51  1.00   0.02   0.02) =   0.017%
          HA1   GLY   16 - HB2   PHE   72  12.40 +/- 5.05   6.867% *  0.0756% (0.23  1.00   0.02   0.02) =   0.015%
          HB2   SER   82 - HB2   PHE   72  19.77 +/- 3.95   1.421% *  0.1323% (0.41  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB2   PHE   72  18.64 +/- 2.64   1.268% *  0.0476% (0.15  1.00   0.02   0.02) =   0.002%
    Distance limit 3.81 A violated in 4 structures by 1.29 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.507, support = 1.46, residual support = 37.2:
          HA    VAL   70 - HB3   PHE   72   5.43 +/- 0.59  35.791% * 59.9562% (0.53  1.00   1.69  48.95) =  75.696%  kept
          HA    VAL   18 - HB3   PHE   72   7.58 +/- 5.61  31.863% * 11.6966% (0.15  1.00   1.14   1.42) =  13.147%  kept
          HB2   SER   37 - HB3   PHE   72   9.93 +/- 2.13  13.843% * 20.6979% (0.85  1.00   0.36   0.02) =  10.107%  kept
        T HA    LYS+  33 - HB3   PHE   72  12.31 +/- 0.95   3.695% *  3.6136% (0.27 10.00   0.02   0.02) =   0.471%  kept
        T HA    GLU-  29 - HB3   PHE   72  13.40 +/- 1.51   3.379% *  2.3170% (0.17 10.00   0.02   0.02) =   0.276%  kept
          HA1   GLY   16 - HB3   PHE   72  11.58 +/- 5.66   7.041% *  0.8502% (0.63  1.00   0.02   0.02) =   0.211%  kept
          HA    GLN  116 - HB3   PHE   72  15.37 +/- 3.39   3.451% *  0.7101% (0.53  1.00   0.02   0.02) =   0.086%
          HB2   SER   82 - HB3   PHE   72  20.79 +/- 3.71   0.937% *  0.1584% (0.12  1.00   0.02   0.02) =   0.005%
    Distance limit 3.94 A violated in 3 structures by 0.87 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.87, residual support = 90.3:
      O T QD    PHE   72 - HB3   PHE   72   2.51 +/- 0.14  91.097% * 94.5528% (0.87  10.0 10.00   4.87  90.35) =  99.595%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   7.372% *  4.5724% (0.27   1.0  1.00   3.13  90.35) =   0.390%  kept
        T QE    PHE   45 - HB3   PHE   72  10.74 +/- 2.21   1.531% *  0.8748% (0.80   1.0 10.00   0.02   0.02) =   0.015%
    Distance limit 3.52 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 = 4.58, residual support = 90.3:
      O T QD    PHE   72 - HB2   PHE   72   2.38 +/- 0.13  91.828% * 95.5191% (0.83  10.0 10.00   4.59  90.35) =  99.680%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   6.373% *  4.3926% (0.26   1.0  1.00   2.97  90.35) =   0.318%  kept
          QE    PHE   45 - HB2   PHE   72  10.03 +/- 2.41   1.799% *  0.0884% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.62 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 = 4.96, residual support = 90.3:
      O   HN    PHE   72 - HB2   PHE   72   3.55 +/- 0.39  97.256% * 99.9402% (0.79  10.0   4.96  90.35) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  13.39 +/- 3.78   2.744% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.77, support = 0.02, residual support = 1.68:
          HG3   GLN   30 - HA    LEU   73   8.78 +/- 3.18  18.917% * 13.3017% (0.99   0.02   3.11) =  27.955%  kept
          HB2   GLN   30 - HA    LEU   73   8.34 +/- 3.15  21.494% * 10.7462% (0.80   0.02   3.11) =  25.661%  kept
          HB3   PRO   68 - HA    LEU   73  13.87 +/- 2.00   6.959% * 11.6413% (0.87   0.02   0.02) =   9.001%  kept
          HB2   GLN   17 - HA    LEU   73  11.70 +/- 5.76  11.545% *  6.5324% (0.49   0.02   0.02) =   8.379%  kept
          HB    ILE  119 - HA    LEU   73  16.82 +/- 2.89   5.655% * 10.7462% (0.80   0.02   0.02) =   6.752%  kept
          HB3   GLU- 100 - HA    LEU   73  18.60 +/- 4.41   3.386% * 11.6413% (0.87   0.02   0.02) =   4.379%  kept
          HB2   PRO   93 - HA    LEU   73  13.21 +/- 3.21  12.973% *  2.9879% (0.22   0.02   0.02) =   4.306%  kept
          QB    GLU-  15 - HA    LEU   73  13.74 +/- 4.93   5.106% *  6.5324% (0.49   0.02   0.02) =   3.705%  kept
          HB    VAL  108 - HA    LEU   73  18.88 +/- 2.93   4.043% *  7.5980% (0.57   0.02   0.02) =   3.413%  kept
          HB2   ARG+  54 - HA    LEU   73  18.85 +/- 3.53   3.852% *  6.5324% (0.49   0.02   0.02) =   2.795%  kept
          HB2   LYS+ 111 - HA    LEU   73  20.96 +/- 4.10   2.242% *  7.5980% (0.57   0.02   0.02) =   1.893%  kept
          HB3   GLU-  25 - HA    LEU   73  14.56 +/- 2.82   3.828% *  4.1422% (0.31   0.02   0.02) =   1.762%  kept
    Distance limit 3.82 A violated in 15 structures by 2.61 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.75, residual support = 42.8:
      O   HN    LYS+  74 - HA    LEU   73   2.55 +/- 0.20  96.930% * 99.6525% (0.69  10.0   5.75  42.84) =  99.998%  kept
          HN    THR   46 - HA    LEU   73  11.97 +/- 3.18   1.938% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HA    LEU   73  20.38 +/- 3.74   0.291% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  22.99 +/- 4.08   0.229% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  16.66 +/- 3.08   0.612% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.792, support = 6.44, residual support = 170.5:
      O   HN    LEU   73 - HA    LEU   73   2.86 +/- 0.04  54.865% * 96.6258% (0.80  10.0   6.51 173.26) =  98.377%  kept
          HN    ILE   19 - HA    LEU   73   6.81 +/- 6.79  37.150% *  2.1133% (0.18   1.0   2.00   4.43) =   1.457%  kept
          HN    VAL   42 - HA    LEU   73   7.02 +/- 2.49   7.653% *  1.1643% (0.80   1.0   0.24   1.04) =   0.165%  kept
          HN    LYS+ 106 - HA    LEU   73  18.00 +/- 3.56   0.332% *  0.0966% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 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 = 6.25, residual support = 172.6:
      O   HN    LEU   73 - HB2   LEU   73   3.44 +/- 0.28  88.501% * 96.6730% (0.38  10.0   6.27 173.26) =  99.620%  kept
          HN    VAL   42 - HB2   LEU   73   8.22 +/- 2.49  10.565% *  3.0700% (0.38   1.0   0.64   1.04) =   0.378%  kept
          HN    LYS+ 106 - HB2   LEU   73  18.30 +/- 3.90   0.934% *  0.2570% (1.00   1.0   0.02   0.02) =   0.003%
    Distance limit 4.05 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 = 0.82, support = 1.75, residual support = 5.79:
          HA    VAL   43 - HB2   LEU   73   7.41 +/- 3.08  50.912% * 87.5693% (0.80  1.00   1.93   6.40) =  90.340%  kept
        T HA    HIS   22 - HB2   LEU   73   8.96 +/- 3.55  41.354% * 11.3210% (1.00 10.00   0.02   0.02) =   9.487%  kept
          HA    ASN   69 - HB2   LEU   73  14.16 +/- 1.12   7.734% *  1.1097% (0.98  1.00   0.02   0.02) =   0.174%  kept
    Distance limit 4.04 A violated in 13 structures by 1.93 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.51, residual support = 42.8:
          HN    LYS+  74 - HB3   LEU   73   3.67 +/- 0.76  95.500% * 97.5287% (0.25   5.51  42.84) =  99.963%  kept
          HN    LYS+ 112 - HB3   LEU   73  20.29 +/- 4.30   1.433% *  1.0845% (0.76   0.02   0.02) =   0.017%
          HN    ASP-  78 - HB3   LEU   73  12.83 +/- 1.16   2.576% *  0.5834% (0.41   0.02   0.02) =   0.016%
          HN    MET   11 - HB3   LEU   73  23.76 +/- 3.66   0.491% *  0.8034% (0.57   0.02   0.02) =   0.004%
    Distance limit 4.22 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.731, support = 5.53, residual support = 164.7:
          HN    LEU   73 - HG    LEU   73   2.89 +/- 0.83  35.606% * 66.0099% (0.80   5.69 173.26) =  87.758%  kept
          HN    ILE   19 - HG12  ILE   19   2.80 +/- 0.80  37.232% *  5.2087% (0.06   6.28 172.63) =   7.241%  kept
          HN    VAL   42 - HG    LEU   73   7.45 +/- 2.71   4.535% * 14.6008% (0.80   1.26   1.04) =   2.472%  kept
          HN    VAL   42 - HG    LEU   40   5.09 +/- 1.10   7.438% *  5.0959% (0.15   2.35   1.71) =   1.415%  kept
          HN    ILE   19 - HG    LEU   73   8.28 +/- 5.14   3.011% *  6.0712% (0.18   2.39   4.43) =   0.683%  kept
          HN    LEU   73 - HG12  ILE   19   7.57 +/- 4.65   4.643% *  2.4219% (0.26   0.64   4.43) =   0.420%  kept
          HN    VAL   42 - HG12  ILE   19  10.07 +/- 4.00   1.254% *  0.0758% (0.26   0.02   0.02) =   0.004%
          HN    LEU   73 - HG    LEU   40   8.69 +/- 2.35   2.001% *  0.0433% (0.15   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   73  17.48 +/- 3.83   0.157% *  0.2322% (0.80   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   80  20.85 +/- 4.85   0.605% *  0.0283% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  13.01 +/- 2.16   0.360% *  0.0433% (0.15   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   80  15.73 +/- 4.18   0.333% *  0.0283% (0.10   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  15.08 +/- 3.79   0.329% *  0.0283% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.33 +/- 2.94   0.938% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.50 +/- 2.18   0.082% *  0.0758% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.70 +/- 2.95   0.482% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  14.14 +/- 3.16   0.395% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.89 +/- 3.61   0.256% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  19.61 +/- 8.11   0.233% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  19.08 +/- 3.10   0.110% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.119, support = 1.23, residual support = 1.36:
          HN    LEU   71 - HG    LEU   40   5.74 +/- 1.72  38.531% * 19.3983% (0.05   1.61   1.60) =  40.814%  kept
          HN    LEU   71 - HG12  ILE   19   8.33 +/- 4.82  30.818% * 23.4775% (0.09   1.11   1.25) =  39.508%  kept
          HN    LEU   71 - HG    LEU   73   9.51 +/- 1.14   6.363% * 50.4802% (0.28   0.78   1.19) =  17.540%  kept
          HN    THR   26 - HG    LEU   73  10.14 +/- 2.90   6.987% *  3.8805% (0.84   0.02   0.02) =   1.480%  kept
          HN    THR   26 - HG12  ILE   19  11.35 +/- 1.69   5.986% *  1.2673% (0.27   0.02   0.02) =   0.414%  kept
          HN    THR   26 - HG    LEU   80  17.78 +/- 8.42   6.572% *  0.4722% (0.10   0.02   0.02) =   0.169%  kept
          HN    THR   26 - HG    LEU   40  18.05 +/- 2.75   1.485% *  0.7235% (0.16   0.02   0.02) =   0.059%
          HN    LEU   71 - HG    LEU   80  19.89 +/- 4.04   0.907% *  0.1572% (0.03   0.02   0.02) =   0.008%
          HN    THR   26 - HG    LEU  115  24.05 +/- 4.53   0.663% *  0.1076% (0.02   0.02   0.02) =   0.004%
          HN    LEU   71 - HG    LEU  115  17.23 +/- 2.82   1.688% *  0.0358% (0.01   0.02   0.02) =   0.003%
    Distance limit 4.05 A violated in 0 structures by 0.48 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 = 8.06, residual support = 172.2:
          HN    LEU   73 - QD2   LEU   73   1.89 +/- 0.28  75.800% * 96.1370% (0.38   8.11 173.26) =  99.369%  kept
          HN    VAL   42 - QD2   LEU   73   5.39 +/- 2.04  15.598% *  2.8562% (0.38   0.24   1.04) =   0.608%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  13.13 +/- 7.05   6.720% *  0.2149% (0.34   0.02   0.02) =   0.020%
          HN    LYS+ 106 - QD2   LEU   73  14.17 +/- 2.75   0.239% *  0.6302% (1.00   0.02   0.02) =   0.002%
          HN    LEU   73 - HG3   LYS+ 121  17.44 +/- 4.32   0.975% *  0.0808% (0.13   0.02   0.02) =   0.001%
          HN    VAL   42 - HG3   LYS+ 121  15.19 +/- 4.57   0.668% *  0.0808% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 6.03, residual support = 42.8:
          HN    LYS+  74 - QD2   LEU   73   3.70 +/- 0.38  90.339% * 96.8809% (0.25   6.03  42.84) =  99.943%  kept
          HN    ASP-  78 - QD2   LEU   73  10.92 +/- 1.42   3.775% *  0.5298% (0.41   0.02   0.02) =   0.023%
          HN    LYS+ 112 - QD2   LEU   73  16.82 +/- 3.27   1.687% *  0.9849% (0.76   0.02   0.02) =   0.019%
          HN    MET   11 - QD2   LEU   73  19.59 +/- 3.02   0.933% *  0.7296% (0.57   0.02   0.02) =   0.008%
          HN    LYS+ 112 - HG3   LYS+ 121  16.70 +/- 1.45   1.159% *  0.3358% (0.26   0.02   0.02) =   0.004%
          HN    LYS+  74 - HG3   LYS+ 121  20.23 +/- 3.75   1.440% *  0.1096% (0.09   0.02   0.02) =   0.002%
          HN    MET   11 - HG3   LYS+ 121  29.54 +/- 5.27   0.339% *  0.2488% (0.19   0.02   0.02) =   0.001%
          HN    ASP-  78 - HG3   LYS+ 121  25.69 +/- 3.15   0.328% *  0.1807% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.81, residual support = 186.8:
      O   HN    LYS+  74 - HB2   LYS+  74   2.90 +/- 0.41  95.433% * 98.7451% (0.20  10.0   5.81 186.86) =  99.970%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.17 +/- 1.14   3.549% *  0.7281% (0.33   1.0   0.09   0.02) =   0.027%
          HN    MET   11 - HB2   LYS+  74  24.18 +/- 4.67   0.593% *  0.2242% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB2   LYS+  74  20.82 +/- 3.39   0.424% *  0.3026% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.48, residual support = 31.7:
          HN    VAL   75 - HB3   LYS+  74   4.47 +/- 0.18  88.743% * 95.4970% (0.41   4.50  31.85) =  99.595%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.13 +/- 1.22   8.439% *  4.0037% (0.87   0.09   0.02) =   0.397%  kept
          HN    LYS+ 112 - HB3   LYS+  74  21.03 +/- 3.53   1.421% *  0.3185% (0.31   0.02   0.02) =   0.005%
          HN    MET   11 - HB3   LYS+  74  24.24 +/- 4.80   1.397% *  0.1807% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.68 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.93, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   3.65 +/- 0.58  86.423% * 98.1887% (0.84   5.94  31.85) =  99.880%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.19 +/- 1.40   5.705% *  1.7346% (0.98   0.09   0.02) =   0.116%  kept
          HN    ASP-  78 - HG3   LYS+ 111  20.21 +/- 5.44   5.780% *  0.0415% (0.10   0.02   0.02) =   0.003%
          HN    VAL   75 - HG3   LYS+ 111  19.21 +/- 4.13   2.092% *  0.0353% (0.09   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 0.733, residual support = 0.732:
          QG1   VAL   75 - HA    THR   77   3.94 +/- 0.44  95.534% * 97.9323% (0.84   0.73   0.73) =  99.901%  kept
          QD1   LEU  115 - HA    THR   77  13.41 +/- 1.98   4.466% *  2.0677% (0.65   0.02   0.02) =   0.099%
    Distance limit 3.59 A violated in 0 structures by 0.40 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.9:
      O   HN    ASP-  78 - HB3   ASP-  78   2.67 +/- 0.65  97.945% * 99.9053% (0.95  10.0   3.95  39.87) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.19 +/- 0.95   2.055% *  0.0947% (0.90   1.0   0.02   0.32) =   0.002%
    Distance limit 3.62 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 = 5.36, residual support = 39.9:
      O   HN    ASP-  78 - HB2   ASP-  78   2.81 +/- 0.40  97.752% * 99.9053% (0.95  10.0   5.36  39.87) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78  10.16 +/- 0.48   2.248% *  0.0947% (0.90   1.0   0.02   0.32) =   0.002%
    Distance limit 3.57 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 = 4.41, residual support = 56.9:
      O T HB3   GLU-  79 - HA    GLU-  79   2.71 +/- 0.22  95.242% * 99.1581% (1.00  10.0 10.00   4.41  56.93) =  99.975%  kept
        T HB2   GLN   90 - HA    GLU-  79  13.48 +/- 3.67   3.862% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.025%
          HB3   GLU-  29 - HA    GLU-  79  22.28 +/- 4.82   0.288% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.61 +/- 2.28   0.161% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  22.16 +/- 5.25   0.301% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  25.57 +/- 3.30   0.147% *  0.0221% (0.22   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 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 56.9:
      O   QG    GLU-  79 - HB3   GLU-  79   2.43 +/- 0.15  83.097% * 99.5936% (0.98  10.0   3.66  56.93) =  99.993%  kept
          QG    GLU-  79 - HB2   GLN   90  13.38 +/- 3.77  14.429% *  0.0370% (0.36   1.0   0.02   0.02) =   0.006%
          HB    VAL  107 - HB3   GLU-  79  18.21 +/- 3.64   1.145% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  19.70 +/- 3.28   0.353% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  20.82 +/- 2.97   0.158% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  24.31 +/- 3.30   0.104% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  24.00 +/- 3.11   0.116% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  22.66 +/- 2.08   0.112% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  22.04 +/- 2.57   0.144% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  27.97 +/- 3.67   0.069% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  18.00 +/- 1.13   0.218% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  30.03 +/- 4.12   0.055% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 0.875, support = 3.35, residual support = 12.3:
          HB2   ASP-  78 - HB3   GLU-  79   5.17 +/- 0.71  28.742% * 65.9324% (0.76  1.00   4.78  21.59) =  52.306%  kept
          HB2   ASP-  76 - HB3   GLU-  79   3.80 +/- 1.67  53.488% * 32.2639% (1.00  1.00   1.79   2.09) =  47.633%  kept
          QE    LYS+  66 - HB3   GLU-  79  17.44 +/- 5.30   9.131% *  0.0715% (0.20  1.00   0.02   0.02) =   0.018%
        T HB2   ASN   28 - HB3   GLU-  79  18.27 +/- 5.03   0.966% *  0.6326% (0.18 10.00   0.02   0.02) =   0.017%
          HB2   ASP-  78 - HB2   GLN   90  11.44 +/- 3.65   4.123% *  0.1026% (0.28  1.00   0.02   0.02) =   0.012%
          HB2   ASP-  76 - HB2   GLN   90  13.94 +/- 2.74   1.552% *  0.1339% (0.37  1.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - HB3   GLU-  79  21.90 +/- 4.12   0.404% *  0.3486% (0.97  1.00   0.02   0.02) =   0.004%
        T HB2   ASN   28 - HB2   GLN   90  26.29 +/- 4.68   0.305% *  0.2350% (0.07 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   GLU-  79  19.46 +/- 3.90   0.556% *  0.0901% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  28.55 +/- 4.62   0.224% *  0.1295% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  66 - HB2   GLN   90  23.06 +/- 4.23   0.314% *  0.0266% (0.07  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  27.37 +/- 3.99   0.194% *  0.0335% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 4.4, residual support = 56.9:
      O T HA    GLU-  79 - HB3   GLU-  79   2.71 +/- 0.22  74.592% * 97.6526% (0.80  10.0 10.00   4.41  56.93) =  99.905%  kept
          HB    THR   77 - HB3   GLU-  79   7.35 +/- 0.80   4.295% *  1.2575% (0.31   1.0  1.00   0.67   0.02) =   0.074%
        T HA    GLU-  79 - HB2   GLN   90  13.48 +/- 3.67   2.986% *  0.3628% (0.30   1.0 10.00   0.02   0.02) =   0.015%
          HB    THR   77 - HB2   GLN   90   9.37 +/- 3.69   9.057% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB2   GLN   90  13.39 +/- 3.45   1.416% *  0.0429% (0.35   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  17.64 +/- 2.91   0.362% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLN   90   9.45 +/- 1.66   2.947% *  0.0140% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  19.74 +/- 4.31   0.329% *  0.1154% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  13.35 +/- 1.29   0.809% *  0.0376% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.56 +/- 1.51   0.984% *  0.0304% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.83 +/- 2.52   0.405% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  22.31 +/- 3.18   0.163% *  0.1058% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.57 +/- 3.12   0.229% *  0.0501% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.41 +/- 2.47   0.796% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  25.94 +/- 3.65   0.143% *  0.0339% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  30.55 +/- 5.67   0.104% *  0.0272% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.62 +/- 3.43   0.146% *  0.0186% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.69 +/- 3.27   0.068% *  0.0393% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.66 +/- 1.49   0.097% *  0.0126% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.89 +/- 7.13   0.073% *  0.0101% (0.08   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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 94.2:
      O T HA    GLN   90 - HB2   GLN   90   2.55 +/- 0.26  79.700% * 86.9087% (0.27  10.0 10.00   3.96  95.23) =  98.346%  kept
          HA    ALA   91 - HB2   GLN   90   5.24 +/- 0.47  11.668% *  9.5854% (0.18   1.0  1.00   3.29  32.54) =   1.588%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.42 +/- 3.48   1.527% *  2.3390% (0.73   1.0 10.00   0.02   0.02) =   0.051%
          HA    ALA   91 - HB3   GLU-  79  13.07 +/- 3.48   3.031% *  0.1568% (0.49   1.0  1.00   0.02   0.02) =   0.007%
          HA    VAL  107 - HB3   GLU-  79  20.01 +/- 4.12   1.184% *  0.2084% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA  110 - HB3   GLU-  79  20.02 +/- 5.66   0.499% *  0.2691% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HB3   GLU-  79  15.89 +/- 5.33   0.864% *  0.0896% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   GLN   90  15.53 +/- 3.61   0.603% *  0.1000% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLU-  79  21.61 +/- 2.96   0.155% *  0.1695% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  17.69 +/- 2.76   0.352% *  0.0630% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.70 +/- 1.46   0.252% *  0.0774% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  24.41 +/- 4.72   0.165% *  0.0333% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.868, support = 3.32, residual support = 12.9:
          HB2   ASP-  78 - HB2   GLU-  79   5.16 +/- 1.03  30.615% * 67.9372% (0.76   4.67  21.59) =  55.304%  kept
          HB2   ASP-  76 - HB2   GLU-  79   3.89 +/- 1.47  53.394% * 31.4578% (1.00   1.65   2.09) =  44.661%  kept
          QE    LYS+  66 - HB2   GLU-  79  17.62 +/- 5.25  14.448% *  0.0754% (0.20   0.02   0.02) =   0.029%
          HB2   ASN   69 - HB2   GLU-  79  22.10 +/- 4.15   0.343% *  0.3678% (0.97   0.02   0.02) =   0.003%
          QE    LYS+  33 - HB2   GLU-  79  19.61 +/- 3.67   0.558% *  0.0950% (0.25   0.02   0.02) =   0.001%
          HB2   ASN   28 - HB2   GLU-  79  18.49 +/- 5.10   0.642% *  0.0667% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.8, residual support = 49.4:
          HN    LEU   80 - HB2   GLU-  79   2.97 +/- 0.46  95.585% * 98.6229% (0.61   5.80  49.39) =  99.986%  kept
          HN    SER   85 - HB2   GLU-  79  10.58 +/- 0.93   2.507% *  0.2730% (0.49   0.02   0.02) =   0.007%
          HN    GLN   32 - HB2   GLU-  79  20.39 +/- 3.39   0.514% *  0.4864% (0.87   0.02   0.02) =   0.003%
          HN    CYS   53 - HB2   GLU-  79  17.91 +/- 3.52   0.941% *  0.2105% (0.38   0.02   0.02) =   0.002%
          HN    ALA   34 - HB2   GLU-  79  20.49 +/- 2.82   0.453% *  0.4072% (0.73   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.94, residual support = 49.4:
          HN    LEU   80 - HB3   GLU-  79   3.33 +/- 0.71  82.330% * 98.0449% (0.61   5.94  49.39) =  99.966%  kept
          HN    SER   85 - HB3   GLU-  79  10.89 +/- 1.20   2.703% *  0.2648% (0.49   0.02   0.02) =   0.009%
          HN    LEU   80 - HB2   GLN   90  12.10 +/- 3.08   4.816% *  0.1226% (0.23   0.02   0.02) =   0.007%
          HN    SER   85 - HB2   GLN   90   9.89 +/- 1.49   5.037% *  0.0984% (0.18   0.02   0.02) =   0.006%
          HN    GLN   32 - HB3   GLU-  79  20.16 +/- 3.49   0.511% *  0.4719% (0.87   0.02   0.02) =   0.003%
          HN    CYS   53 - HB3   GLU-  79  17.93 +/- 3.97   1.003% *  0.2042% (0.38   0.02   0.02) =   0.003%
          HN    CYS   53 - HB2   GLN   90  12.65 +/- 2.98   2.671% *  0.0759% (0.14   0.02   0.02) =   0.003%
          HN    ALA   34 - HB3   GLU-  79  20.31 +/- 2.95   0.501% *  0.3951% (0.73   0.02   0.02) =   0.002%
          HN    GLN   32 - HB2   GLN   90  28.18 +/- 4.23   0.224% *  0.1754% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  28.41 +/- 3.83   0.205% *  0.1468% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.67, residual support = 95.2:
      O   HN    GLN   90 - HB2   GLN   90   3.40 +/- 0.62  89.191% * 98.6230% (0.23  10.0   5.67  95.23) =  99.974%  kept
          HN    GLN   90 - HB3   GLU-  79  13.24 +/- 3.09   4.387% *  0.2654% (0.61   1.0   0.02   0.02) =   0.013%
          HN    GLY  109 - HB3   GLU-  79  18.75 +/- 4.69   1.299% *  0.3925% (0.90   1.0   0.02   0.02) =   0.006%
          HN    GLY  109 - HB2   GLN   90  14.73 +/- 2.37   1.450% *  0.1458% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB3   GLU-  79  21.73 +/- 3.09   0.519% *  0.3504% (0.80   1.0   0.02   0.02) =   0.002%
          HE1   HIS   22 - HB3   GLU-  79  17.34 +/- 7.96   2.323% *  0.0675% (0.15   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB2   GLN   90  24.55 +/- 4.05   0.396% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  26.18 +/- 4.99   0.435% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 5.26, residual support = 49.4:
          HN    LEU   80 - QG    GLU-  79   3.70 +/- 0.63  90.838% * 98.4839% (0.61   5.26  49.39) =  99.965%  kept
          HN    SER   85 - QG    GLU-  79   9.95 +/- 1.00   5.351% *  0.3005% (0.49   0.02   0.02) =   0.018%
          HN    GLN   32 - QG    GLU-  79  18.25 +/- 3.30   1.193% *  0.5355% (0.87   0.02   0.02) =   0.007%
          HN    ALA   34 - QG    GLU-  79  18.44 +/- 2.75   1.115% *  0.4483% (0.73   0.02   0.02) =   0.006%
          HN    CYS   53 - QG    GLU-  79  17.50 +/- 3.41   1.504% *  0.2317% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.72 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.62, residual support = 49.4:
      O   HN    LEU   80 - HA    GLU-  79   3.54 +/- 0.18  94.957% * 99.2120% (0.28  10.0   5.62  49.39) =  99.985%  kept
          HN    SER   85 - HA    GLU-  79  10.24 +/- 0.53   4.027% *  0.2980% (0.84   1.0   0.02   0.02) =   0.013%
          HN    GLN   32 - HA    GLU-  79  21.37 +/- 3.35   0.526% *  0.3560% (1.00   1.0   0.02   0.02) =   0.002%
          HN    ALA   34 - HA    GLU-  79  21.60 +/- 2.75   0.490% *  0.1339% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 3.35 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 = 0.675, support = 4.56, residual support = 85.0:
      O   HB2   LEU   80 - QD2   LEU   80   2.46 +/- 0.32  38.463% * 71.2691% (0.87  10.0  1.00   4.30  84.97) =  63.427%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  56.385% * 28.0259% (0.34  10.0  1.00   5.01  84.97) =  36.565%  kept
        T HB3   LEU   73 - QD2   LEU   80  11.69 +/- 3.31   0.759% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+  74 - QD2   LEU   80  10.61 +/- 2.69   0.909% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   80  13.22 +/- 3.10   0.396% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD2   LEU   80  16.54 +/- 6.15   0.689% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QD2   LEU   80  15.00 +/- 3.50   0.601% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  21.00 +/- 5.28   0.174% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.56 +/- 3.68   0.416% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  14.17 +/- 2.89   0.283% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  17.84 +/- 4.93   0.215% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.67 +/- 2.06   0.393% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  22.57 +/- 4.02   0.076% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  19.26 +/- 3.20   0.142% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  19.54 +/- 3.92   0.098% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.87, support = 5.71, residual support = 76.4:
          HA    LEU   80 - QD2   LEU   80   2.59 +/- 0.67  63.645% * 61.8759% (0.87   6.23  84.97) =  89.544%  kept
          HA    THR   23 - QD2   LEU   80  12.99 +/- 7.85  14.581% * 16.0275% (0.99   1.41   0.61) =   5.314%  kept
          HA    ASP-  78 - QD2   LEU   80   6.56 +/- 1.38  16.430% * 10.2517% (0.80   1.12   6.91) =   3.830%  kept
          HB    THR   23 - QD2   LEU   80  14.44 +/- 7.78   4.909% * 11.7423% (0.73   1.41   0.61) =   1.311%  kept
          HA    ASP- 105 - QD2   LEU   80  18.22 +/- 3.49   0.435% *  0.1027% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.81 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.468, support = 4.93, residual support = 32.1:
          HN    LYS+  81 - QD2   LEU   80   4.14 +/- 0.60  49.588% * 51.3066% (0.38   5.98  41.46) =  76.161%  kept
          HE3   TRP   27 - QD2   LEU   80  12.50 +/- 5.88  17.822% * 30.9000% (0.92   1.46   3.03) =  16.485%  kept
          HN    THR   23 - QD2   LEU   80  13.10 +/- 7.53  14.166% * 17.1300% (0.41   1.82   0.61) =   7.264%  kept
          QE    PHE   95 - QD2   LEU   80  12.61 +/- 2.38  10.229% *  0.2050% (0.45   0.02   0.02) =   0.063%
          HN    LEU   67 - QD2   LEU   80  16.13 +/- 3.48   7.106% *  0.0619% (0.14   0.02   0.02) =   0.013%
          QD    PHE   55 - QD2   LEU   80  17.75 +/- 2.51   1.088% *  0.3965% (0.87   0.02   0.02) =   0.013%
    Distance limit 3.64 A violated in 1 structures by 0.34 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 1.62, residual support = 3.19:
          HN    VAL   24 - QD2   LEU   80  12.32 +/- 7.65  53.942% * 99.1251% (0.31   1.63   3.21) =  99.252%  kept
          HN    VAL   43 - QD2   LEU   80  12.15 +/- 2.60  46.058% *  0.8749% (0.22   0.02   0.02) =   0.748%  kept
    Distance limit 3.59 A violated in 14 structures by 5.27 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 4.86, residual support = 38.2:
          HN    LYS+  81 - QD1   LEU   80   3.78 +/- 0.92  47.677% * 75.2377% (0.24   5.26  41.46) =  91.621%  kept
          HE3   TRP   27 - QD1   LEU   80  13.40 +/- 6.33  12.588% * 16.1810% (0.60   0.46   3.03) =   5.202%  kept
          HN    THR   23 - QD1   LEU   80  13.89 +/- 8.11  19.444% *  6.0947% (0.27   0.39   0.61) =   3.027%  kept
          HE3   TRP   27 - QD2   LEU   98   9.01 +/- 3.76   6.765% *  0.4032% (0.34   0.02   0.02) =   0.070%
          QE    PHE   95 - QD1   LEU   80  12.65 +/- 2.53   3.982% *  0.3417% (0.29   0.02   0.02) =   0.035%
          QD    PHE   55 - QD1   LEU   80  17.61 +/- 2.49   0.724% *  0.6610% (0.56   0.02   0.02) =   0.012%
          QE    PHE   95 - QD2   LEU   98  10.82 +/- 1.06   2.006% *  0.1958% (0.17   0.02   0.02) =   0.010%
          HN    LEU   67 - QD1   LEU   80  16.89 +/- 3.44   2.606% *  0.1031% (0.09   0.02   0.02) =   0.007%
          HN    THR   23 - QD2   LEU   98  13.88 +/- 3.89   1.285% *  0.1796% (0.15   0.02   0.02) =   0.006%
          QD    PHE   55 - QD2   LEU   98  17.49 +/- 1.47   0.477% *  0.3789% (0.32   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD2   LEU   98  15.44 +/- 3.24   0.940% *  0.1639% (0.14   0.02   0.02) =   0.004%
          HN    LEU   67 - QD2   LEU   98  13.86 +/- 3.21   1.507% *  0.0591% (0.05   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.84, residual support = 111.2:
          HN    LYS+  81 - QG    LYS+  81   2.59 +/- 0.52  87.311% * 97.7100% (0.87   5.85 111.24) =  99.978%  kept
          HE3   TRP   27 - QG    LYS+  81  17.33 +/- 5.05   0.788% *  1.2568% (0.45   0.15   0.02) =   0.012%
          HE3   TRP   27 - HG2   LYS+  33   8.11 +/- 1.02   4.750% *  0.0827% (0.21   0.02   0.02) =   0.005%
          QD    PHE   60 - QG    LYS+  81  14.78 +/- 2.76   0.756% *  0.2028% (0.53   0.02   0.02) =   0.002%
          QD    PHE   60 - HG2   LYS+ 106  12.94 +/- 2.18   2.535% *  0.0446% (0.12   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+  33  16.43 +/- 2.11   0.529% *  0.0971% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QG    LYS+  81  19.39 +/- 3.51   0.301% *  0.1446% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+  33  23.98 +/- 4.66   0.233% *  0.1601% (0.42   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.70 +/- 5.18   0.322% *  0.0736% (0.19   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.95 +/- 4.01   0.556% *  0.0380% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.79 +/- 2.32   0.581% *  0.0318% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  16.97 +/- 2.61   0.595% *  0.0250% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  19.64 +/- 3.25   0.263% *  0.0522% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.04 +/- 2.49   0.121% *  0.0693% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  19.56 +/- 3.17   0.359% *  0.0115% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.643, support = 0.607, residual support = 0.594:
          HN    GLU-  79 - QG    LYS+  81   6.28 +/- 1.22  54.265% * 92.6211% (0.65   0.61   0.60) =  99.307%  kept
          HN    THR   94 - QG    LYS+  81  13.46 +/- 2.93  11.523% *  1.1689% (0.25   0.02   0.02) =   0.266%  kept
          HN    VAL   70 - HG2   LYS+  33  13.85 +/- 2.28   8.136% *  0.9227% (0.20   0.02   0.02) =   0.148%  kept
          HN    THR   94 - HG2   LYS+ 106  10.86 +/- 1.76  14.354% *  0.2572% (0.05   0.02   0.02) =   0.073%
          HN    GLU-  79 - HG2   LYS+  33  21.50 +/- 2.96   2.122% *  1.4519% (0.31   0.02   0.02) =   0.061%
          HN    VAL   70 - QG    LYS+  81  21.65 +/- 2.98   1.478% *  1.9272% (0.41   0.02   0.02) =   0.056%
          HN    GLU-  79 - HG2   LYS+ 106  19.42 +/- 3.80   3.071% *  0.6672% (0.14   0.02   0.02) =   0.040%
          HN    VAL   70 - HG2   LYS+ 106  19.12 +/- 3.33   3.031% *  0.4240% (0.09   0.02   0.02) =   0.025%
          HN    THR   94 - HG2   LYS+  33  21.02 +/- 2.04   2.020% *  0.5597% (0.12   0.02   0.02) =   0.022%
    Distance limit 3.93 A violated in 16 structures by 2.28 A, eliminated.
    Peak unassigned.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.79, residual support = 111.2:
      O   HN    LYS+  81 - QB    LYS+  81   2.27 +/- 0.22  85.872% * 99.1682% (0.38  10.0   5.79 111.24) =  99.992%  kept
          QD    PHE   55 - HB3   PRO   52   5.42 +/- 0.66   8.829% *  0.0263% (0.10   1.0   0.02   0.38) =   0.003%
          QE    PHE   95 - QB    LYS+  81  15.28 +/- 2.78   0.976% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - QB    LYS+  81  17.19 +/- 5.22   0.451% *  0.2439% (0.92   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    LYS+  81  19.54 +/- 3.72   0.329% *  0.2292% (0.87   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  17.38 +/- 7.26   0.569% *  0.1086% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   PRO   52  10.20 +/- 2.19   2.000% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  20.48 +/- 3.16   0.284% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  20.98 +/- 4.84   0.389% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  24.22 +/- 2.15   0.098% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  26.09 +/- 3.45   0.092% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.52 +/- 1.42   0.112% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 5.4, residual support = 111.2:
      O   HN    LYS+  81 - HA    LYS+  81   2.79 +/- 0.05  97.712% * 99.8291% (0.87  10.0   5.40 111.24) =  99.999%  kept
          HE3   TRP   27 - HA    LYS+  81  18.51 +/- 5.51   0.849% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.52 +/- 2.38   0.708% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.48 +/- 3.21   0.340% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  21.38 +/- 3.25   0.390% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.57, support = 3.75, residual support = 28.2:
          HA    LEU   80 - QG    LYS+  81   4.54 +/- 0.53  43.046% * 58.7107% (0.38   4.95  41.46) =  67.592%  kept
          HA    ASP-  78 - QG    LYS+  81   5.77 +/- 1.86  30.629% * 39.4353% (0.98   1.27   0.39) =  32.304%  kept
          HA    THR   23 - QG    LYS+  81  17.09 +/- 7.53   3.455% *  0.4834% (0.76   0.02   0.02) =   0.045%
          HA    PHE   45 - QG    LYS+  81  11.49 +/- 2.38   9.784% *  0.0976% (0.15   0.02   0.02) =   0.026%
          HB    THR   23 - QG    LYS+  81  18.63 +/- 7.48   2.142% *  0.1577% (0.25   0.02   0.02) =   0.009%
          HA    THR   23 - HG2   LYS+  33  13.87 +/- 0.91   1.432% *  0.2314% (0.37   0.02   0.02) =   0.009%
          HB    THR   23 - HG2   LYS+  33  13.36 +/- 1.25   1.641% *  0.0755% (0.12   0.02   0.02) =   0.003%
          HA    ASP-  78 - HG2   LYS+  33  24.30 +/- 2.88   0.293% *  0.2968% (0.47   0.02   0.02) =   0.002%
          HA    THR   23 - HG2   LYS+ 106  22.40 +/- 5.66   0.818% *  0.1064% (0.17   0.02   0.02) =   0.002%
          HA    PHE   45 - HG2   LYS+ 106  13.01 +/- 3.00   3.772% *  0.0215% (0.03   0.02   0.02) =   0.002%
          HA    ASP-  78 - HG2   LYS+ 106  20.24 +/- 3.44   0.581% *  0.1364% (0.22   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+  33  22.69 +/- 4.87   0.504% *  0.1137% (0.18   0.02   0.02) =   0.002%
          HA    LEU   80 - HG2   LYS+ 106  20.20 +/- 4.64   0.855% *  0.0522% (0.08   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  19.80 +/- 1.95   0.524% *  0.0467% (0.07   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  23.96 +/- 5.51   0.524% *  0.0347% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.14 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   2.79 +/- 0.50  99.486% * 99.5254% (0.41  10.0   3.68  34.69) =  99.999%  kept
          HN    GLY   16 - HB3   SER   82  28.49 +/- 8.61   0.349% *  0.2373% (0.98   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB3   SER   82  26.83 +/- 3.08   0.164% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.376, support = 3.27, residual support = 14.4:
      O   HN    TRP   49 - HA    SER   48   3.47 +/- 0.05  31.134% * 84.6881% (0.40  10.0   3.26  14.47) =  84.147%  kept
          HN    VAL   83 - HB2   SER   82   3.37 +/- 0.52  35.734% * 10.2916% (0.24   1.0   4.09  19.02) =  11.737%  kept
          HN    CYS   50 - HA    SER   48   3.61 +/- 0.33  28.913% *  4.4502% (0.36   1.0   1.17   0.02) =   4.106%  kept
          HN    TRP   49 - HB2   SER   82  18.03 +/- 4.40   0.742% *  0.1542% (0.72   1.0   0.02   0.02) =   0.004%
          HN    CYS   50 - HB2   SER   82  18.65 +/- 4.15   0.557% *  0.1386% (0.65   1.0   0.02   0.02) =   0.002%
          HE22  GLN   30 - HB2   SER   82  21.31 +/- 6.97   0.503% *  0.0688% (0.32   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    VAL   70  10.85 +/- 1.56   1.201% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  15.70 +/- 3.70   0.670% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   70  22.15 +/- 3.16   0.144% *  0.0536% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  21.77 +/- 2.29   0.140% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  22.77 +/- 2.78   0.128% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  22.62 +/- 3.16   0.135% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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   2.73 +/- 0.57  87.708% * 99.0159% (0.39  10.0   4.30  34.69) =  99.988%  kept
          HN    GLY   16 - HA    VAL   70  10.11 +/- 5.70   9.126% *  0.0820% (0.32   1.0   0.02   0.02) =   0.009%
          HN    SER   82 - HA    SER   48  16.40 +/- 4.40   1.333% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HB2   SER   82  28.79 +/- 8.47   0.304% *  0.2361% (0.93   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  20.39 +/- 2.90   0.421% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    VAL   70  17.27 +/- 3.68   0.589% *  0.0820% (0.32   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HB2   SER   82  27.25 +/- 3.30   0.130% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  27.02 +/- 6.56   0.182% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  23.36 +/- 2.70   0.209% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.33, residual support = 40.7:
          HN    ALA   84 - HB    VAL   83   3.22 +/- 0.32  97.906% * 98.8132% (0.44   5.33  40.70) =  99.993%  kept
          HN    LYS+ 111 - HB    VAL   83  19.38 +/- 3.98   0.969% *  0.3706% (0.44   0.02   0.02) =   0.004%
          HE21  GLN   32 - HB    VAL   83  26.29 +/- 5.94   0.387% *  0.6829% (0.80   0.02   0.02) =   0.003%
          HN    ILE   56 - HB    VAL   83  18.69 +/- 2.18   0.737% *  0.1333% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.76, residual support = 85.2:
      O   HN    VAL   83 - HB    VAL   83   2.33 +/- 0.32  98.521% * 99.8243% (0.65  10.0   4.76  85.24) =  99.999%  kept
          HN    CYS   50 - HB    VAL   83  15.43 +/- 2.83   0.722% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  14.92 +/- 3.02   0.757% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.875, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   8.64 +/- 1.66  54.889% * 31.7530% (0.96   0.02   0.02) =  66.442%  kept
          HD21  ASN   28 - HA    ALA   84  19.58 +/- 6.33  15.150% * 30.7120% (0.93   0.02   0.02) =  17.738%  kept
          QE    PHE   60 - HA    ALA   84  14.21 +/- 2.95  16.694% * 16.7431% (0.51   0.02   0.02) =  10.655%  kept
          HN    LEU   63 - HA    ALA   84  20.50 +/- 2.42   5.847% * 11.9438% (0.36   0.02   0.02) =   2.662%  kept
          HN    ILE   56 - HA    ALA   84  18.28 +/- 1.72   7.420% *  8.8482% (0.27   0.02   0.02) =   2.503%  kept
    Distance limit 3.61 A violated in 18 structures by 4.74 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.803, support = 0.02, residual support = 0.02:
          QE    PHE   45 - HA    ALA   84   8.39 +/- 3.64  74.927% * 37.7702% (0.81   0.02   0.02) =  77.762%  kept
          QD    PHE   72 - HA    ALA   84  16.81 +/- 2.45  13.702% * 43.6396% (0.93   0.02   0.02) =  16.430%  kept
          HZ    PHE   72 - HA    ALA   84  18.66 +/- 2.66  11.371% * 18.5902% (0.40   0.02   0.02) =   5.809%  kept
    Distance limit 4.18 A violated in 16 structures by 4.17 A, eliminated.
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.912, support = 1.49, residual support = 12.7:
          HB    ILE   89 - HA    ALA   84   4.30 +/- 2.98  88.419% * 98.5807% (0.91   1.49  12.76) =  99.912%  kept
          QG1   ILE   56 - HA    ALA   84  16.04 +/- 2.23   9.257% *  0.6272% (0.43   0.02   0.02) =   0.067%
          HB3   LYS+  99 - HA    ALA   84  24.38 +/- 5.39   2.324% *  0.7921% (0.55   0.02   0.02) =   0.021%
    Distance limit 3.95 A violated in 4 structures by 1.25 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 3.26, residual support = 28.3:
          QG2   VAL   83 - HA    ALA   84   3.78 +/- 0.65  57.732% * 46.8633% (0.66   3.51  40.70) =  55.534%  kept
          QD1   ILE   89 - HA    ALA   84   4.70 +/- 1.60  40.840% * 53.0398% (0.89   2.96  12.76) =  44.463%  kept
          QD2   LEU   31 - HA    ALA   84  17.10 +/- 4.53   1.428% *  0.0969% (0.24   0.02   0.02) =   0.003%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.94, residual support = 12.8:
          HG13  ILE   89 - HA    ALA   84   4.53 +/- 2.58 100.000% *100.0000% (0.55   2.94  12.76) = 100.000%  kept
    Distance limit 3.94 A violated in 8 structures by 1.35 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 3.76, residual support = 28.1:
          QG2   VAL   83 - QB    ALA   84   4.34 +/- 0.56  58.136% * 44.2476% (0.66  1.00   3.89  40.70) =  54.848%  kept
          QD1   ILE   89 - QB    ALA   84   5.25 +/- 1.29  38.504% * 54.9273% (0.89  1.00   3.60  12.76) =  45.093%  kept
        T QD2   LEU   31 - QB    ALA   84  14.37 +/- 3.62   3.360% *  0.8251% (0.24 10.00   0.02   0.02) =   0.059%
    Distance limit 3.96 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.61, residual support = 12.8:
          HG13  ILE   89 - QB    ALA   84   5.29 +/- 1.88 100.000% *100.0000% (0.55   3.61  12.76) = 100.000%  kept
    Distance limit 3.87 A violated in 7 structures by 1.46 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.849, support = 0.02, residual support = 0.02:
          QD    PHE   45 - QB    ALA   84   7.52 +/- 2.14  88.683% * 73.1356% (0.87   0.02   0.02) =  97.716%  kept
          HD2   HIS  122 - QB    ALA   84  21.68 +/- 2.31   5.424% * 14.2817% (0.17   0.02   0.02) =   1.167%  kept
          HE22  GLN  116 - QB    ALA   84  22.70 +/- 2.29   5.893% * 12.5826% (0.15   0.02   0.02) =   1.117%  kept
    Distance limit 4.10 A violated in 17 structures by 3.41 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.705, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84  11.69 +/- 2.80  56.393% * 28.9138% (0.59   0.02   0.02) =  49.640%  kept
          HE22  GLN   30 - QB    ALA   84  18.58 +/- 4.07  26.787% * 46.0056% (0.93   0.02   0.02) =  37.517%  kept
          HD22  ASN   69 - QB    ALA   84  22.35 +/- 3.98  16.820% * 25.0806% (0.51   0.02   0.02) =  12.843%  kept
    Distance limit 4.32 A violated in 19 structures by 6.40 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.0:
      O   HN    SER   85 - QB    SER   85   2.20 +/- 0.15  93.751% * 99.7822% (0.99  10.0   3.15  18.04) =  99.999%  kept
          HN    SER   85 - QB    SER   48  13.50 +/- 3.95   2.004% *  0.0243% (0.24   1.0   0.02   0.02) =   0.001%
          HN    THR   94 - QB    SER   85  13.82 +/- 3.39   2.075% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  23.67 +/- 6.52   0.166% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.16 +/- 0.84   0.797% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  21.99 +/- 4.33   0.161% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  24.30 +/- 5.75   0.120% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  23.76 +/- 3.07   0.091% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.23 +/- 1.25   0.498% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  24.05 +/- 2.71   0.081% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  20.56 +/- 3.73   0.170% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.52 +/- 2.44   0.086% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 13.5:
          HN    ASP-  86 - QB    SER   85   3.06 +/- 0.25  89.137% * 97.6155% (0.87   3.33  13.48) =  99.983%  kept
          HN    GLU-  29 - QB    SER   85  22.78 +/- 7.07   0.725% *  0.6631% (0.98   0.02   0.02) =   0.006%
          HN    ASP-  86 - QB    SER   48  13.86 +/- 3.80   2.464% *  0.1431% (0.21   0.02   0.02) =   0.004%
          HN    GLN   30 - QB    SER   85  22.58 +/- 6.64   0.578% *  0.5417% (0.80   0.02   0.02) =   0.004%
          HN    GLU-  29 - QB    SER   48  23.26 +/- 3.67   0.314% *  0.1617% (0.24   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    SER  117  23.22 +/- 4.88   0.417% *  0.1023% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  22.52 +/- 3.21   0.301% *  0.1321% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  30.55 +/- 6.84   0.234% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.63 +/- 0.84   2.452% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  21.86 +/- 4.32   0.408% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  25.49 +/- 7.27   0.255% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  25.67 +/- 4.73   0.242% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  23.48 +/- 2.98   0.244% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  21.39 +/- 7.68   0.696% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  19.65 +/- 4.63   0.652% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  27.73 +/- 5.38   0.197% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.55 +/- 2.90   0.479% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  25.21 +/- 3.27   0.206% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.53 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 +/- 0.15  99.305% * 98.5738% (0.12  10.0   2.79  15.42) =  99.998%  kept
          HN    SER  117 - QB    SER   85  24.71 +/- 2.77   0.087% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - QB    SER   85  28.38 +/- 7.64   0.107% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  19.09 +/- 3.15   0.225% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  24.70 +/- 6.78   0.129% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  21.14 +/- 2.93   0.147% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 +/- 0.03  98.082% * 99.8725% (0.99  10.0   3.65  18.04) =  99.999%  kept
          HN    THR   94 - HA    SER   85  14.60 +/- 3.38   1.526% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  27.10 +/- 6.69   0.223% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  27.72 +/- 5.90   0.169% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.55, residual support = 42.4:
      O   HN    ASP-  86 - HB3   ASP-  86   2.81 +/- 0.56  96.670% * 99.6620% (0.95  10.0   3.55  42.44) =  99.998%  kept
          HN    GLN   30 - HB3   ASP-  86  23.38 +/- 7.98   0.748% *  0.1033% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   ASP-  86  23.86 +/- 8.22   0.901% *  0.0596% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   ASP-  86  21.08 +/- 7.64   1.124% *  0.0472% (0.45   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   ASP-  86  26.03 +/- 5.39   0.333% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  32.48 +/- 7.96   0.224% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.01, residual support = 42.4:
      O   HN    ASP-  86 - HB2   ASP-  86   2.63 +/- 0.48  97.218% * 99.2641% (0.49  10.0   5.01  42.44) =  99.996%  kept
          HN    LYS+  99 - HB2   ASP-  86  21.20 +/- 7.87   0.816% *  0.1883% (0.92   1.0   0.02   0.02) =   0.002%
          HN    GLN   30 - HB2   ASP-  86  23.46 +/- 7.96   0.815% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  26.17 +/- 5.54   0.205% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  32.57 +/- 7.94   0.130% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  23.93 +/- 8.16   0.816% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.416, support = 3.62, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   2.96 +/- 0.57  82.857% * 36.7125% (0.38   3.60  22.69) =  81.963%  kept
          HE3   TRP   87 - HB2   ASP-  86   6.20 +/- 0.95  10.826% * 61.5383% (0.61   3.73  22.69) =  17.952%  kept
          HN    ALA   91 - HB2   ASP-  86  10.73 +/- 1.65   4.744% *  0.5140% (0.95   0.02   0.02) =   0.066%
          HN    TRP   27 - HB2   ASP-  86  21.88 +/- 8.26   0.751% *  0.5244% (0.97   0.02   0.02) =   0.011%
          HN    ALA   61 - HB2   ASP-  86  20.37 +/- 3.21   0.611% *  0.4873% (0.90   0.02   0.02) =   0.008%
          HN    THR   39 - HB2   ASP-  86  26.28 +/- 6.33   0.212% *  0.2234% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.224, support = 2.24, residual support = 10.7:
        T HA    VAL   83 - HB2   ASP-  86   2.62 +/- 0.71  80.223% * 95.5315% (0.22 10.00   2.25  10.74) =  99.375%  kept
          HB3   SER   82 - HB2   ASP-  86   6.06 +/- 1.33  16.081% *  2.9279% (0.41  1.00   0.33   0.02) =   0.611%  kept
          HD3   PRO   52 - HB2   ASP-  86  19.00 +/- 3.92   1.383% *  0.3961% (0.92  1.00   0.02   0.02) =   0.007%
          HB2   CYS   53 - HB2   ASP-  86  17.43 +/- 2.71   0.775% *  0.3848% (0.90  1.00   0.02   0.02) =   0.004%
          HA    GLN   30 - HB2   ASP-  86  24.89 +/- 7.65   0.420% *  0.4141% (0.97  1.00   0.02   0.02) =   0.002%
          HA    GLU- 100 - HB2   ASP-  86  23.86 +/- 8.65   0.526% *  0.0849% (0.20  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - HB2   ASP-  86  22.66 +/- 3.09   0.281% *  0.1193% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  26.14 +/- 5.84   0.182% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  30.23 +/- 6.90   0.128% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.16, residual support = 42.4:
      O   HN    ASP-  86 - HA    ASP-  86   2.77 +/- 0.05  97.953% * 99.2641% (0.49  10.0   4.16  42.44) =  99.997%  kept
          HN    LYS+  99 - HA    ASP-  86  22.42 +/- 8.36   0.608% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  25.29 +/- 8.04   0.513% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASP-  86  27.95 +/- 5.58   0.165% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  34.38 +/- 7.98   0.108% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  25.65 +/- 8.40   0.653% *  0.0315% (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 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.52, residual support = 74.4:
          HE3   TRP   87 - HA    TRP   87   3.79 +/- 0.22  89.953% * 98.5667% (0.99   3.52  74.40) =  99.947%  kept
          HN    ALA   91 - HA    TRP   87   9.78 +/- 1.12   7.639% *  0.4896% (0.87   0.02   0.02) =   0.042%
          HN    ALA   61 - HA    TRP   87  21.16 +/- 3.86   1.263% *  0.5210% (0.92   0.02   0.02) =   0.007%
          HN    TRP   27 - HA    TRP   87  24.44 +/- 7.09   0.851% *  0.2970% (0.53   0.02   0.02) =   0.003%
          HN    GLN   17 - HA    TRP   87  30.78 +/- 7.92   0.294% *  0.1257% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.62 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.21, residual support = 74.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.43 +/- 0.33  96.088% * 99.7445% (0.99  10.0   3.21  74.40) =  99.997%  kept
          HN    ALA   91 - HB2   TRP   87   9.53 +/- 0.87   2.351% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB2   TRP   87  20.16 +/- 4.05   0.944% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   TRP   87  23.90 +/- 6.99   0.454% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  29.90 +/- 7.97   0.162% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.21, residual support = 74.4:
      O   HE3   TRP   87 - HB3   TRP   87   3.77 +/- 0.34  86.434% * 99.7445% (0.99  10.0   3.21  74.40) =  99.987%  kept
          HN    ALA   91 - HB3   TRP   87   8.09 +/- 0.82  11.316% *  0.0873% (0.87   1.0   0.02   0.02) =   0.011%
          HN    ALA   61 - HB3   TRP   87  18.96 +/- 3.70   0.956% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  23.12 +/- 6.54   0.938% *  0.0529% (0.53   1.0   0.02   0.02) =   0.001%
          HN    GLN   17 - HB3   TRP   87  29.01 +/- 7.69   0.356% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.22, residual support = 18.6:
          QD1   ILE   89 - HB2   TRP   87   4.08 +/- 0.93  62.651% * 62.1105% (0.90   2.52  19.66) =  74.312%  kept
          QG2   VAL   83 - HB2   TRP   87   5.31 +/- 1.17  35.864% * 37.4898% (1.00   1.36  15.59) =  25.677%  kept
          QD2   LEU   31 - HB2   TRP   87  18.70 +/- 5.86   1.484% *  0.3996% (0.73   0.02   0.02) =   0.011%
    Distance limit 3.92 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.443, support = 4.01, residual support = 19.6:
        T QD1   ILE   89 - HB3   TRP   87   2.92 +/- 1.04  65.047% * 95.2396% (0.45 10.00   4.05  19.66) =  97.702%  kept
          QG2   VAL   83 - HB3   TRP   87   4.61 +/- 0.65  31.196% *  4.6641% (0.22  1.00   1.97  15.59) =   2.295%  kept
          QG2   VAL   75 - HB3   TRP   87  12.19 +/- 3.88   3.025% *  0.0591% (0.28  1.00   0.02   0.02) =   0.003%
          QG2   VAL   42 - HB3   TRP   87  15.77 +/- 4.08   0.732% *  0.0372% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.232, support = 0.735, residual support = 19.3:
          HG12  ILE   89 - HB3   TRP   87   3.40 +/- 0.90  81.299% * 54.8868% (0.22   0.75  19.66) =  98.017%  kept
          QB    ALA   91 - HB3   TRP   87   8.46 +/- 1.03  10.104% *  5.7027% (0.87   0.02   0.02) =   1.266%  kept
          HG2   LYS+  74 - HB3   TRP   87  17.96 +/- 3.36   1.899% *  5.8960% (0.90   0.02   0.02) =   0.246%  kept
          QG2   ILE   56 - HB3   TRP   87  13.75 +/- 2.34   2.748% *  2.7027% (0.41   0.02   0.02) =   0.163%  kept
          HG3   LYS+  99 - HB3   TRP   87  24.78 +/- 6.89   0.504% *  6.0688% (0.92   0.02   0.02) =   0.067%
          HG13  ILE   19 - HB3   TRP   87  26.08 +/- 6.78   0.432% *  6.5596% (1.00   0.02   0.02) =   0.062%
          QG2   THR   39 - HB3   TRP   87  22.79 +/- 4.78   0.411% *  5.7027% (0.87   0.02   0.02) =   0.052%
          HG    LEU   71 - HB3   TRP   87  25.52 +/- 4.75   0.352% *  5.7027% (0.87   0.02   0.02) =   0.044%
          QB    ALA   34 - HB3   TRP   87  20.37 +/- 5.04   0.849% *  1.6393% (0.25   0.02   0.02) =   0.031%
          HG3   LYS+ 111 - HB3   TRP   87  18.04 +/- 3.68   1.129% *  1.1513% (0.18   0.02   0.02) =   0.029%
          HG3   LYS+  38 - HB3   TRP   87  28.89 +/- 6.89   0.273% *  3.9875% (0.61   0.02   0.02) =   0.024%
    Distance limit 4.01 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.1:
      O   HN    ALA   88 - HA    ALA   88   2.54 +/- 0.29  98.944% * 99.0353% (0.38  10.0   1.63  12.06) =  99.998%  kept
          HN    PHE   55 - HA    ALA   88  18.75 +/- 2.29   0.298% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    ALA   88  17.40 +/- 2.50   0.388% *  0.1449% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ALA   88  25.79 +/- 5.65   0.195% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    ALA   88  22.49 +/- 2.80   0.175% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.08, residual support = 12.1:
      O   HN    ALA   88 - QB    ALA   88   2.45 +/- 0.30  97.956% * 99.2112% (0.38  10.0   2.08  12.06) =  99.996%  kept
          HN    PHE   55 - QB    ALA   88  15.79 +/- 2.04   0.610% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   88  14.73 +/- 2.33   0.862% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - QB    ALA   88  19.36 +/- 2.85   0.355% *  0.2117% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    ALA   88  22.29 +/- 4.82   0.217% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 215.2:
          QD1   ILE   89 - HA    ILE   89   3.07 +/- 0.77  85.132% * 99.6619% (0.92   5.98 215.30) =  99.958%  kept
          QG2   VAL   83 - HA    ILE   89   6.24 +/- 1.19  13.943% *  0.2481% (0.69   0.02   0.02) =   0.041%
          QD2   LEU   31 - HA    ILE   89  18.51 +/- 3.90   0.925% *  0.0901% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.24, residual support = 38.7:
      O   HN    GLN   90 - HA    ILE   89   2.24 +/- 0.05  98.098% * 99.8365% (0.99  10.0   6.24  38.75) =  99.999%  kept
          HN    SER   82 - HA    ILE   89  11.09 +/- 0.91   0.870% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    ILE   89  12.83 +/- 2.54   0.810% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  21.54 +/- 5.37   0.223% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.99, residual support = 215.3:
      O   HN    ILE   89 - HA    ILE   89   2.87 +/- 0.05  99.147% * 99.6601% (0.76  10.0   5.99 215.30) =  99.999%  kept
          HN    CYS   21 - HA    ILE   89  22.26 +/- 5.79   0.368% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  22.63 +/- 1.90   0.217% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  29.42 +/- 4.27   0.116% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  27.65 +/- 4.35   0.151% *  0.0258% (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 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.908, support = 2.39, residual support = 8.43:
          HN    ALA   91 - HA    ILE   89   3.99 +/- 0.46  66.863% * 77.9814% (0.95   2.48   7.59) =  93.012%  kept
          HD1   TRP   87 - HA    ILE   89   6.01 +/- 0.73  22.584% * 15.2763% (0.38   1.23  19.66) =   6.154%  kept
          HE3   TRP   87 - HA    ILE   89   8.26 +/- 0.59   8.736% *  5.2334% (0.61   0.26  19.66) =   0.816%  kept
          HN    ALA   61 - HA    ILE   89  17.50 +/- 2.65   0.968% *  0.5953% (0.90   0.02   0.02) =   0.010%
          HN    TRP   27 - HA    ILE   89  23.19 +/- 4.92   0.604% *  0.6406% (0.97   0.02   0.02) =   0.007%
          HN    THR   39 - HA    ILE   89  27.75 +/- 4.06   0.245% *  0.2729% (0.41   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.737, support = 5.27, residual support = 213.5:
      O T QD1   ILE   89 - HB    ILE   89   2.72 +/- 0.41  59.977% * 97.7466% (0.74  10.0 10.00   5.31 215.30) =  99.169%  kept
          QG2   VAL   83 - HB    ILE   89   4.93 +/- 1.70  24.396% *  1.9400% (0.55   1.0  1.00   0.53   0.02) =   0.801%  kept
        T QD1   ILE   89 - HB    VAL   43  10.11 +/- 4.25   7.135% *  0.2135% (0.16   1.0 10.00   0.02   0.02) =   0.026%
        T QD2   LEU   31 - HB    VAL   43   9.38 +/- 3.34   3.229% *  0.0577% (0.04   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - HB    VAL   43   9.48 +/- 4.08   4.811% *  0.0159% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HB    ILE   89  17.36 +/- 4.32   0.451% *  0.0264% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 215.3:
      O T HG13  ILE   89 - HB    ILE   89   2.56 +/- 0.28  97.902% * 99.7821% (0.78  10.0 10.00   4.97 215.30) =  99.995%  kept
        T HG13  ILE   89 - HB    VAL   43  12.88 +/- 4.07   2.098% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.005%
    Distance limit 3.34 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 = 5.56, residual support = 215.3:
      O   HN    ILE   89 - HB    ILE   89   2.80 +/- 0.55  92.969% * 99.5645% (0.61  10.0   5.56 215.30) =  99.998%  kept
          HN    CYS   21 - HB    ILE   89  21.09 +/- 6.17   0.556% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    VAL   43  13.22 +/- 4.39   2.115% *  0.0255% (0.16   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    VAL   43  14.16 +/- 3.98   1.412% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  22.25 +/- 1.87   0.236% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.06 +/- 2.50   0.831% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.47 +/- 1.60   0.629% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  28.03 +/- 4.56   0.130% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  15.60 +/- 2.97   0.947% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  26.26 +/- 4.78   0.175% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.04 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  12.70 +/- 3.29 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.63 A violated in 20 structures by 9.08 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 1.26, residual support = 19.6:
          HD1   TRP   87 - QG2   ILE   89   4.25 +/- 0.31  93.948% * 95.1828% (0.95   1.26  19.66) =  99.930%  kept
          HN    LYS+ 102 - QG2   ILE   89  19.46 +/- 4.13   1.705% *  1.2811% (0.80   0.02   0.02) =   0.024%
          HN    THR   39 - QG2   ILE   89  21.57 +/- 3.56   1.014% *  1.4769% (0.92   0.02   0.02) =   0.017%
          HN    TRP   27 - QG2   ILE   89  17.95 +/- 4.35   2.518% *  0.5457% (0.34   0.02   0.02) =   0.015%
          HN    GLU-  36 - QG2   ILE   89  23.18 +/- 3.80   0.814% *  1.5135% (0.95   0.02   0.02) =   0.014%
    Distance limit 3.68 A violated in 0 structures by 0.59 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.11, residual support = 38.7:
          HN    GLN   90 - QG2   ILE   89   3.08 +/- 0.57  91.919% * 99.1734% (0.61   7.11  38.75) =  99.969%  kept
          HN    SER   82 - QG2   ILE   89   8.30 +/- 1.08   5.985% *  0.4246% (0.92   0.02   0.02) =   0.028%
          HN    ILE  103 - QG2   ILE   89  17.14 +/- 4.16   0.915% *  0.1891% (0.41   0.02   0.02) =   0.002%
          HN    GLY   16 - QG2   ILE   89  23.46 +/- 6.28   0.517% *  0.1420% (0.31   0.02   0.02) =   0.001%
          HN    SER  117 - QG2   ILE   89  17.25 +/- 2.03   0.665% *  0.0710% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.16, residual support = 12.4:
        T HB2   PHE   45 - QG2   ILE   89   6.01 +/- 2.65  73.587% * 99.7277% (0.97 10.00   1.16  12.38) =  99.942%  kept
          QE    LYS+ 111 - QG2   ILE   89  13.10 +/- 2.96  20.714% *  0.1783% (1.00  1.00   0.02   0.02) =   0.050%
          HB2   CYS   21 - QG2   ILE   89  16.74 +/- 5.14   5.699% *  0.0940% (0.53  1.00   0.02   0.02) =   0.007%
    Distance limit 4.09 A violated in 9 structures by 2.21 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.219, support = 5.26, residual support = 32.7:
          QG    GLN   90 - QG2   ILE   89   4.55 +/- 0.61  37.297% * 69.0243% (0.15   6.17  38.75) =  84.360%  kept
          HG2   MET   92 - QG2   ILE   89   6.55 +/- 2.16  24.293% * 12.4615% (0.73   0.24   0.02) =   9.920%  kept
          HB2   ASP-  44 - QG2   ILE   89  10.13 +/- 3.36  12.255% * 12.9718% (0.28   0.64   0.02) =   5.209%  kept
          HB2   GLU-  79 - QG2   ILE   89   9.27 +/- 2.50  10.520% *  0.8215% (0.57   0.02   0.02) =   0.283%  kept
          HG2   PRO   52 - QG2   ILE   89  10.31 +/- 2.85  10.213% *  0.3231% (0.22   0.02   0.02) =   0.108%  kept
          QG    GLU- 114 - QG2   ILE   89  12.84 +/- 2.33   1.947% *  0.9387% (0.65   0.02   0.02) =   0.060%
          QG    GLU-  15 - QG2   ILE   89  22.79 +/- 6.08   0.846% *  0.5446% (0.38   0.02   0.02) =   0.015%
          QB    MET   11 - QG2   ILE   89  27.35 +/- 5.46   0.375% *  1.2120% (0.84   0.02   0.02) =   0.015%
          HB3   PHE   72 - QG2   ILE   89  15.86 +/- 3.01   1.339% *  0.2872% (0.20   0.02   0.02) =   0.013%
          HG3   GLU-  36 - QG2   ILE   89  25.21 +/- 3.58   0.252% *  1.0537% (0.73   0.02   0.02) =   0.009%
          QG    GLU-  14 - QG2   ILE   89  22.64 +/- 5.70   0.663% *  0.3618% (0.25   0.02   0.02) =   0.008%
    Distance limit 3.72 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.508, support = 1.22, residual support = 11.8:
        T HB3   PHE   45 - QG2   ILE   89   5.64 +/- 2.47  43.735% * 94.4915% (0.49 10.00   1.26  12.38) =  95.674%  kept
          HB3   ASP-  86 - QG2   ILE   89   6.08 +/- 1.17  40.015% *  4.6186% (1.00  1.00   0.30   0.02) =   4.279%  kept
          QE    LYS+ 112 - QG2   ILE   89  12.40 +/- 2.65   4.441% *  0.1501% (0.49  1.00   0.02   0.02) =   0.015%
          HG3   MET   96 - QG2   ILE   89  11.79 +/- 3.64   5.539% *  0.1052% (0.34  1.00   0.02   0.02) =   0.013%
          HB3   ASP-  62 - QG2   ILE   89  16.07 +/- 2.60   1.816% *  0.2356% (0.76  1.00   0.02   0.02) =   0.010%
          HG2   GLU-  29 - QG2   ILE   89  22.50 +/- 4.30   0.622% *  0.2975% (0.97  1.00   0.02   0.02) =   0.004%
          HB    VAL  107 - QG2   ILE   89  12.13 +/- 2.49   3.467% *  0.0476% (0.15  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  36 - QG2   ILE   89  25.14 +/- 3.29   0.365% *  0.0540% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 1 structures by 0.58 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.431, support = 3.38, residual support = 9.59:
          QB    ALA   88 - QG2   ILE   89   5.06 +/- 0.61  27.285% * 43.5648% (0.31   5.18   9.56) =  49.096%  kept
          QB    ALA   84 - QG2   ILE   89   4.63 +/- 1.61  36.314% * 25.5931% (0.49   1.93  12.76) =  38.387%  kept
          HB3   ASP-  44 - QG2   ILE   89   9.67 +/- 3.64  13.671% * 15.1869% (0.87   0.64   0.02) =   8.576%  kept
          HB3   PRO   93 - QG2   ILE   89   8.41 +/- 1.62   7.285% * 12.0411% (0.45   0.99   0.02) =   3.623%  kept
          HB3   LEU   80 - QG2   ILE   89   7.69 +/- 1.83   8.362% *  0.5397% (0.99   0.02   0.02) =   0.186%  kept
          HG2   LYS+ 111 - QG2   ILE   89  13.88 +/- 2.91   1.988% *  0.5255% (0.97   0.02   0.02) =   0.043%
          HB2   LEU   63 - QG2   ILE   89  14.91 +/- 2.95   1.230% *  0.5151% (0.95   0.02   0.02) =   0.026%
          HG    LEU   98 - QG2   ILE   89  15.46 +/- 4.35   1.844% *  0.3303% (0.61   0.02   0.02) =   0.025%
          HB2   LEU   31 - QG2   ILE   89  18.94 +/- 4.04   0.824% *  0.5397% (0.99   0.02   0.02) =   0.018%
          HG2   LYS+  99 - QG2   ILE   89  20.69 +/- 3.82   0.514% *  0.4161% (0.76   0.02   0.02) =   0.009%
          QB    ALA  124 - QG2   ILE   89  20.78 +/- 1.96   0.365% *  0.3954% (0.73   0.02   0.02) =   0.006%
          HG2   LYS+  38 - QG2   ILE   89  22.97 +/- 4.45   0.318% *  0.3523% (0.65   0.02   0.02) =   0.005%
    Distance limit 3.49 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.86, residual support = 215.3:
      O T HG13  ILE   89 - QG2   ILE   89   2.77 +/- 0.40 100.000% *100.0000% (0.98  10.0 10.00   5.86 215.30) = 100.000%  kept
    Distance limit 3.28 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 = 0.914, support = 6.25, residual support = 206.9:
        T QD1   ILE   89 - QG2   ILE   89   2.21 +/- 0.53  75.139% * 88.8077% (0.92 10.00   6.49 215.30) =  96.091%  kept
        T QG2   VAL   83 - QG2   ILE   89   3.89 +/- 1.12  24.307% * 11.1683% (0.69 10.00   0.34   0.02) =   3.909%  kept
          QD2   LEU   31 - QG2   ILE   89  14.25 +/- 3.35   0.554% *  0.0240% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 215.2:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  70.835% * 99.4549% (0.92  10.0 10.00   5.50 215.30) =  99.970%  kept
          QG2   VAL   83 - HG12  ILE   89   4.45 +/- 1.57  27.349% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.029%
        T QD1   ILE   89 - HG3   LYS+  99  19.94 +/- 5.17   0.169% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG3   LYS+  99  12.34 +/- 4.06   1.165% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  17.63 +/- 4.33   0.323% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  19.42 +/- 4.64   0.158% *  0.0300% (0.28   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 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.13, residual support = 215.3:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.945% * 99.5961% (0.98  10.0 10.00   5.13 215.30) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  24.69 +/- 5.22   0.055% *  0.4039% (0.40   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 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 5.18, residual support = 210.8:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  73.318% * 94.3318% (0.90  10.0 10.00   5.26 215.30) =  97.913%  kept
          QG2   VAL   83 - HG13  ILE   89   4.70 +/- 1.93  26.357% *  5.5918% (1.00   1.0  1.00   1.06   0.02) =   2.086%  kept
          QD2   LEU   31 - HG13  ILE   89  17.56 +/- 4.19   0.325% *  0.0764% (0.73   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 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 5.85, residual support = 215.0:
      O T QG2   ILE   89 - HG13  ILE   89   2.77 +/- 0.40  82.388% * 99.3718% (0.84  10.0 10.00   5.86 215.30) =  99.865%  kept
          QG1   VAL   83 - HG13  ILE   89   6.41 +/- 1.81  17.612% *  0.6282% (0.22   1.0  1.00   0.47   0.02) =   0.135%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 215.3:
      O T HB    ILE   89 - HG13  ILE   89   2.56 +/- 0.28  94.271% * 98.8208% (0.49  10.0 10.00   4.97 215.30) =  99.975%  kept
        T HB    VAL   43 - HG13  ILE   89  12.88 +/- 4.07   2.021% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.021%
          QD    LYS+  81 - HG13  ILE   89   9.76 +/- 1.93   3.164% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HG13  ILE   89  22.93 +/- 5.24   0.280% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  23.36 +/- 5.43   0.264% *  0.0313% (0.15   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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.51, residual support = 215.3:
          HN    ILE   89 - HG13  ILE   89   3.07 +/- 0.87  98.179% * 98.7779% (0.76   5.51 215.30) =  99.993%  kept
          HN    CYS   21 - HG13  ILE   89  21.41 +/- 5.92   0.708% *  0.4204% (0.90   0.02   0.02) =   0.003%
          HN    ILE  119 - HG13  ILE   89  22.21 +/- 2.38   0.537% *  0.4435% (0.95   0.02   0.02) =   0.002%
          HN    SER   37 - HG13  ILE   89  28.15 +/- 4.43   0.251% *  0.2654% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  26.46 +/- 4.63   0.326% *  0.0928% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 5.72, residual support = 215.3:
          HN    ILE   89 - HG12  ILE   89   2.62 +/- 0.77  90.360% * 98.2159% (0.76   5.73 215.30) =  99.986%  kept
          HN    CYS   21 - HG3   LYS+  99  18.90 +/- 5.70   2.121% *  0.1633% (0.36   0.02   0.02) =   0.004%
          HN    SER   37 - HG3   LYS+  99  13.07 +/- 5.94   3.247% *  0.1031% (0.23   0.02   0.02) =   0.004%
          HN    CYS   21 - HG12  ILE   89  21.61 +/- 5.87   0.507% *  0.4026% (0.90   0.02   0.02) =   0.002%
          HN    ILE  119 - HG3   LYS+  99  18.96 +/- 4.62   0.604% *  0.1722% (0.38   0.02   0.02) =   0.001%
          HN    ILE  119 - HG12  ILE   89  22.50 +/- 2.22   0.243% *  0.4247% (0.95   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG3   LYS+  99  14.76 +/- 5.12   2.249% *  0.0360% (0.08   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  28.14 +/- 4.53   0.154% *  0.2542% (0.57   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  25.94 +/- 5.64   0.241% *  0.1391% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  26.48 +/- 4.71   0.273% *  0.0888% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.26, residual support = 215.3:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.26 215.30) = 100.000%  kept
    Distance limit 2.64 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 = 0.833, support = 6.46, residual support = 214.4:
        T QG2   ILE   89 - QD1   ILE   89   2.21 +/- 0.53  91.207% * 95.7314% (0.84 10.00   6.49 215.30) =  99.572%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.52 +/- 1.32   8.793% *  4.2686% (0.22 10.00   0.33   0.02) =   0.428%  kept
    Distance limit 3.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 215.3:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  97.164% * 99.2664% (1.00  10.0 10.00   5.50 215.30) =  99.998%  kept
        T HG3   LYS+  99 - QD1   ILE   89  19.94 +/- 5.17   0.225% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD1   ILE   89  13.53 +/- 3.14   0.653% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  13.60 +/- 2.41   0.533% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  14.77 +/- 3.01   0.870% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  20.09 +/- 3.87   0.170% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  20.55 +/- 5.17   0.214% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  19.83 +/- 3.51   0.171% *  0.0339% (0.34   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 2983 (1.75, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.3, residual support = 215.0:
      O T HB    ILE   89 - QD1   ILE   89   2.72 +/- 0.41  84.674% * 98.8208% (0.49  10.0 10.00   5.31 215.30) =  99.865%  kept
        T HB    VAL   43 - QD1   ILE   89  10.11 +/- 4.25  11.097% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.131%  kept
          QD    LYS+  81 - QD1   ILE   89   9.14 +/- 1.16   3.194% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QD1   ILE   89  18.41 +/- 5.19   0.534% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  18.77 +/- 5.30   0.501% *  0.0313% (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 2984 (1.95, 0.09, 50.60 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 0.02, residual support = 0.02:
        T HB3   MET   96 - QD1   ILE   89  10.20 +/- 5.16  45.104% * 63.9859% (0.53 10.00   0.02   0.02) =  86.172%  kept
          HB3   ARG+  54 - QD1   ILE   89  13.84 +/- 2.58  25.607% * 10.5495% (0.87  1.00   0.02   0.02) =   8.066%  kept
          HB2   LEU   40 - QD1   ILE   89  19.05 +/- 4.30   6.874% * 10.9071% (0.90  1.00   0.02   0.02) =   2.238%  kept
          HB    VAL   18 - QD1   ILE   89  19.74 +/- 6.43   9.231% *  7.3765% (0.61  1.00   0.02   0.02) =   2.033%  kept
          HB2   LEU   67 - QD1   ILE   89  17.91 +/- 3.87   8.905% *  4.1485% (0.34  1.00   0.02   0.02) =   1.103%  kept
          HB3   GLU-  14 - QD1   ILE   89  25.61 +/- 6.22   4.279% *  3.0326% (0.25  1.00   0.02   0.02) =   0.387%  kept
    Distance limit 3.65 A violated in 16 structures by 5.27 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.05, residual support = 19.7:
        T HB3   TRP   87 - QD1   ILE   89   2.92 +/- 1.04  80.648% * 99.8369% (0.76 10.00   4.05  19.66) =  99.995%  kept
          HG3   MET   96 - QD1   ILE   89  11.21 +/- 5.16  18.507% *  0.0177% (0.14  1.00   0.02   0.02) =   0.004%
          HG3   GLN  116 - QD1   ILE   89  18.25 +/- 2.35   0.622% *  0.1091% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  25.17 +/- 3.93   0.224% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.501, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  13.81 +/- 2.79  59.480% * 62.4025% (0.57   0.02   0.02) =  70.899%  kept
          HB    THR  118 - QD1   ILE   89  16.10 +/- 2.88  40.520% * 37.5975% (0.34   0.02   0.02) =  29.101%  kept
    Distance limit 3.01 A violated in 20 structures by 9.81 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 2.74, residual support = 12.4:
          QD    PHE   45 - QD1   ILE   89   5.51 +/- 3.12  86.881% * 96.3744% (0.45   2.74  12.38) =  99.795%  kept
          HE22  GLN  116 - QD1   ILE   89  19.26 +/- 2.30   5.264% *  1.5368% (0.98   0.02   0.02) =   0.096%
          HD2   HIS  122 - QD1   ILE   89  18.94 +/- 2.84   4.800% *  1.5540% (0.99   0.02   0.02) =   0.089%
          HE22  GLN   17 - QD1   ILE   89  23.77 +/- 5.39   3.055% *  0.5348% (0.34   0.02   0.02) =   0.019%
    Distance limit 3.94 A violated in 9 structures by 2.17 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.884, support = 2.39, residual support = 19.7:
          HN    TRP   87 - QD1   ILE   89   4.12 +/- 0.86  63.536% * 78.9439% (0.97   2.43  19.66) =  88.169%  kept
          HE3   TRP   87 - QD1   ILE   89   5.49 +/- 1.00  34.003% * 19.7463% (0.28   2.11  19.66) =  11.803%  kept
          HD21  ASN   69 - QD1   ILE   89  21.17 +/- 4.47   1.718% *  0.6367% (0.95   0.02   0.02) =   0.019%
          HN    GLN   17 - QD1   ILE   89  22.83 +/- 6.00   0.744% *  0.6730% (1.00   0.02   0.02) =   0.009%
    Distance limit 4.01 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.88, residual support = 215.3:
          HN    ILE   89 - QD1   ILE   89   2.99 +/- 0.79  96.108% * 98.8537% (0.76   5.88 215.30) =  99.986%  kept
          HN    CYS   21 - QD1   ILE   89  17.74 +/- 5.19   1.721% *  0.3944% (0.90   0.02   0.02) =   0.007%
          HN    ILE  119 - QD1   ILE   89  17.83 +/- 2.60   1.042% *  0.4160% (0.95   0.02   0.02) =   0.005%
          HN    SER   37 - QD1   ILE   89  22.99 +/- 4.40   0.497% *  0.2489% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - QD1   ILE   89  21.67 +/- 4.39   0.632% *  0.0870% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 6.11, residual support = 95.2:
          HN    GLN   90 - QG    GLN   90   2.79 +/- 0.75  98.110% * 99.2825% (0.69   6.11  95.23) =  99.993%  kept
          HN    GLY  109 - QG    GLN   90  13.42 +/- 2.41   1.326% *  0.3250% (0.69   0.02   0.02) =   0.004%
          HN    ILE  103 - QG    GLN   90  21.58 +/- 4.04   0.564% *  0.3925% (0.83   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.67, residual support = 95.2:
      O   HN    GLN   90 - HB3   GLN   90   3.24 +/- 0.41  95.941% * 99.8365% (0.83  10.0   5.67  95.23) =  99.998%  kept
          HN    SER   82 - HB3   GLN   90  12.81 +/- 2.39   2.312% *  0.0452% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HB3   GLN   90  14.42 +/- 2.56   1.417% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  24.28 +/- 4.00   0.329% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 4.17, residual support = 56.9:
      O   HN    GLU-  79 - HB3   GLU-  79   2.79 +/- 0.57  85.864% * 94.8714% (0.16  10.0   4.17  56.93) =  99.887%  kept
          HN    THR   94 - HB2   GLN   90  11.65 +/- 1.04   1.676% *  3.8370% (0.55   1.0   0.24   0.02) =   0.079%
          HN    SER   85 - HB2   GLN   90   9.89 +/- 1.49   2.993% *  0.3603% (0.61   1.0   0.02   0.02) =   0.013%
          HN    GLU-  79 - HB2   GLN   90  12.13 +/- 3.32   4.877% *  0.1311% (0.22   1.0   0.02   0.02) =   0.008%
          HN    SER   85 - HB3   GLU-  79  10.89 +/- 1.20   2.421% *  0.2608% (0.44   1.0   0.02   0.02) =   0.008%
          HN    THR   94 - HB3   GLU-  79  12.81 +/- 2.17   1.633% *  0.2344% (0.40   1.0   0.02   0.02) =   0.005%
          HN    GLN   32 - HB3   GLU-  79  20.16 +/- 3.49   0.370% *  0.1281% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  28.18 +/- 4.23   0.166% *  0.1770% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.567, support = 4.4, residual support = 56.8:
      O T HA    GLU-  79 - HB3   GLU-  79   2.71 +/- 0.22  74.771% * 94.7348% (0.57  10.0 10.00   4.41  56.93) =  99.762%  kept
          HB    THR   77 - HB3   GLU-  79   7.35 +/- 0.80   4.306% *  2.5854% (0.46   1.0  1.00   0.67   0.02) =   0.157%  kept
        T HA    GLU-  79 - HB2   GLN   90  13.48 +/- 3.67   2.993% *  1.3090% (0.78   1.0 10.00   0.02   0.02) =   0.055%
          HB    THR   77 - HB2   GLN   90   9.37 +/- 3.69   9.079% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.014%
          HA    SER   85 - HB2   GLN   90   9.45 +/- 1.66   2.954% *  0.1069% (0.64   1.0  1.00   0.02   0.02) =   0.004%
          HA1   GLY   51 - HB2   GLN   90  13.39 +/- 3.45   1.419% *  0.1158% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - HB2   GLN   90  14.41 +/- 2.47   0.798% *  0.0970% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.56 +/- 1.51   0.987% *  0.0702% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  13.35 +/- 1.29   0.810% *  0.0774% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLN   90  16.83 +/- 2.52   0.406% *  0.0756% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  19.74 +/- 4.31   0.330% *  0.0838% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.57 +/- 3.12   0.230% *  0.0867% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.64 +/- 2.91   0.362% *  0.0547% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.62 +/- 3.43   0.146% *  0.1198% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  22.31 +/- 3.18   0.163% *  0.0914% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.69 +/- 3.27   0.068% *  0.1263% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  30.55 +/- 5.67   0.105% *  0.0664% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.89 +/- 7.13   0.073% *  0.0917% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.62, support = 0.826, residual support = 0.792:
          QB    ALA   88 - QG    GLN   90   4.76 +/- 1.19  64.725% * 93.6821% (0.62   0.84   0.81) =  98.274%  kept
          QG2   THR   77 - QG    GLN   90   7.28 +/- 2.50  32.507% *  3.1824% (0.88   0.02   0.02) =   1.677%  kept
          QG2   THR   23 - QG    GLN   90  19.10 +/- 4.12   1.654% *  1.2185% (0.34   0.02   0.02) =   0.033%
          HG2   LYS+  38 - QG    GLN   90  28.07 +/- 3.98   0.534% *  1.1075% (0.31   0.02   0.02) =   0.010%
          HG2   LYS+  99 - QG    GLN   90  25.65 +/- 3.53   0.579% *  0.8096% (0.22   0.02   0.02) =   0.008%
    Distance limit 3.56 A violated in 5 structures by 0.98 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 0.02, residual support = 0.02:
          HB3   LYS+ 111 - QG    GLN   90  17.24 +/- 2.88  10.922% * 17.3580% (0.90   0.02   0.02) =  25.416%  kept
          HD3   LYS+  74 - QG    GLN   90  16.05 +/- 2.17   9.417% * 17.3194% (0.89   0.02   0.02) =  21.864%  kept
          QG    LYS+  81 - QG    GLN   90   8.93 +/- 2.72  45.488% *  3.4351% (0.18   0.02   0.02) =  20.948%  kept
          HG    LEU  104 - QG    GLN   90  23.33 +/- 3.01   3.463% * 17.0143% (0.88   0.02   0.02) =   7.899%  kept
          QD    LYS+  66 - QG    GLN   90  20.94 +/- 3.33   5.147% *  9.8273% (0.51   0.02   0.02) =   6.781%  kept
          HB3   LYS+ 121 - QG    GLN   90  25.08 +/- 1.74   2.786% * 17.0143% (0.88   0.02   0.02) =   6.354%  kept
          HG2   LYS+ 106 - QG    GLN   90  17.40 +/- 3.34  10.922% *  2.6782% (0.14   0.02   0.02) =   3.921%  kept
          HG2   LYS+  65 - QG    GLN   90  19.96 +/- 4.31   6.577% *  3.0399% (0.16   0.02   0.02) =   2.680%  kept
          HG2   LYS+  33 - QG    GLN   90  26.33 +/- 3.71   2.280% *  8.4490% (0.44   0.02   0.02) =   2.582%  kept
          HD2   LYS+ 121 - QG    GLN   90  24.72 +/- 2.00   2.999% *  3.8645% (0.20   0.02   0.02) =   1.554%  kept
    Distance limit 3.81 A violated in 19 structures by 4.65 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.92, residual support = 61.8:
      O   HG3   MET   92 - HB2   MET   92   2.72 +/- 0.27  85.824% * 75.2393% (0.73  10.0  1.00   2.96  62.67) =  98.602%  kept
        T QG    GLN   90 - HB2   MET   92   8.15 +/- 1.32   4.183% * 20.2348% (0.80   1.0 10.00   0.49   0.17) =   1.292%  kept
          HB2   ASP-  44 - HB2   MET   92  10.94 +/- 2.31   2.293% *  2.7006% (0.61   1.0  1.00   0.86   0.38) =   0.095%
        T QG    GLU-  15 - HB2   MET   92  26.52 +/- 6.65   0.558% *  0.5043% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   ASP- 105 - HB2   MET   92  16.63 +/- 0.98   0.405% *  0.3534% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  26.85 +/- 5.77   0.192% *  0.6703% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HB2   MET   92  13.80 +/- 3.40   5.549% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB2   MET   92  16.32 +/- 1.52   0.440% *  0.1034% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   MET   92  18.17 +/- 2.06   0.341% *  0.0752% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.27 +/- 3.03   0.121% *  0.0865% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  26.79 +/- 1.63   0.094% *  0.0140% (0.14   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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 62.7:
      O   HN    MET   92 - HB2   MET   92   2.45 +/- 0.39  78.307% * 99.7272% (0.92  10.0   3.94  62.67) =  99.979%  kept
          HN    THR   46 - HB2   MET   92   8.17 +/- 2.38  12.721% *  0.1078% (1.00   1.0   0.02   0.02) =   0.018%
          HN    LYS+ 112 - HB2   MET   92  12.33 +/- 2.92   8.377% *  0.0300% (0.28   1.0   0.02   0.02) =   0.003%
          HN    LYS+  74 - HB2   MET   92  16.52 +/- 2.94   0.554% *  0.0865% (0.80   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   MET   92  36.91 +/- 6.08   0.042% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 62.7:
      O T HA    MET   92 - HB2   MET   92   2.88 +/- 0.21  99.270% * 99.8006% (0.61  10.0 10.00   3.87  62.67) =  99.999%  kept
          HA    VAL   41 - HB2   MET   92  18.80 +/- 2.33   0.486% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  22.63 +/- 2.08   0.244% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.28, residual support = 62.5:
      O   HG3   MET   92 - HB3   MET   92   2.57 +/- 0.28  87.812% * 93.5914% (0.73  10.0   3.29  62.67) =  99.736%  kept
          HB2   ASP-  44 - HB3   MET   92  10.12 +/- 2.37   3.932% *  3.3361% (0.61   1.0   0.85   0.38) =   0.159%  kept
          QG    GLN   90 - HB3   MET   92   9.06 +/- 1.15   3.330% *  2.5125% (0.80   1.0   0.49   0.17) =   0.102%  kept
          HG12  ILE  119 - HB3   MET   92  15.06 +/- 1.63   0.496% *  0.1286% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   MET   92  13.79 +/- 3.09   2.466% *  0.0226% (0.18   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HB3   MET   92  25.72 +/- 6.46   0.657% *  0.0627% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  17.27 +/- 2.20   0.432% *  0.0936% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.68 +/- 1.01   0.440% *  0.0440% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.13 +/- 5.58   0.210% *  0.0834% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.73 +/- 3.00   0.126% *  0.1077% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.10 +/- 1.55   0.099% *  0.0174% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 62.7:
      O T HA    MET   92 - HB3   MET   92   2.74 +/- 0.14  99.227% * 99.8006% (0.61  10.0 10.00   4.22  62.67) =  99.999%  kept
          HA    VAL   41 - HB3   MET   92  17.94 +/- 2.46   0.536% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   MET   92  21.43 +/- 2.06   0.236% *  0.1318% (0.80   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.7:
      O T HA    MET   92 - HG2   MET   92   2.73 +/- 0.61  99.238% * 99.8006% (0.61  10.0 10.00   2.49  62.67) =  99.999%  kept
          HA    VAL   41 - HG2   MET   92  19.16 +/- 2.98   0.523% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG2   MET   92  22.83 +/- 2.19   0.239% *  0.1318% (0.80   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.377, support = 0.63, residual support = 3.24:
          HB2   SER   37 - QG2   THR   39   3.69 +/- 1.29  64.774% * 47.7929% (0.30   0.74   4.43) =  72.454%  kept
          HA1   GLY   16 - QG2   THR   39   8.78 +/- 4.62  26.393% * 44.1435% (0.60   0.34   0.13) =  27.268%  kept
          HA    LYS+  66 - QG2   THR   39  12.31 +/- 1.68   2.877% *  1.9898% (0.46   0.02   0.02) =   0.134%  kept
          HA1   GLY   16 - QG2   THR   23  16.45 +/- 1.56   1.145% *  1.4578% (0.33   0.02   0.02) =   0.039%
          HA    LYS+  66 - QG2   THR   23  17.53 +/- 2.70   1.179% *  1.1166% (0.26   0.02   0.02) =   0.031%
          HA    LYS+  66 - QB    ALA   91  18.28 +/- 3.38   1.281% *  0.9396% (0.22   0.02   0.02) =   0.028%
          HA1   GLY   16 - QB    ALA   91  23.20 +/- 5.62   0.699% *  1.2268% (0.28   0.02   0.02) =   0.020%
          HB2   SER   37 - QG2   THR   23  15.53 +/- 1.40   1.131% *  0.7239% (0.17   0.02   0.02) =   0.019%
          HB2   SER   37 - QB    ALA   91  22.90 +/- 3.01   0.522% *  0.6092% (0.14   0.02   0.02) =   0.007%
    Distance limit 3.50 A violated in 0 structures by 0.35 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.29, residual support = 62.7:
      O   HN    MET   92 - HB3   MET   92   3.44 +/- 0.20  77.067% * 99.8535% (0.92  10.0   4.29  62.67) =  99.980%  kept
          HN    THR   46 - HB3   MET   92   8.14 +/- 1.94  15.363% *  0.0827% (0.76   1.0   0.02   0.02) =   0.017%
          HN    ASP- 113 - HB3   MET   92  12.83 +/- 2.68   4.400% *  0.0270% (0.25   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB3   MET   92  15.92 +/- 3.05   3.169% *  0.0369% (0.34   1.0   0.02   0.02) =   0.002%
    Distance limit 4.12 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 = 0.69, support = 0.02, residual support = 0.0337:
          HA    THR   46 - HB3   MET   92   7.15 +/- 1.92  39.090% * 16.4223% (0.80   0.02   0.02) =  60.981%  kept
          HA    VAL   42 - HB3   MET   92  14.33 +/- 2.15   6.937% * 18.3930% (0.90   0.02   0.02) =  12.120%  kept
          HA    GLN   90 - HB3   MET   92   8.74 +/- 0.57  26.479% *  3.5917% (0.18   0.02   0.17) =   9.034%  kept
          HA    PHE   55 - HB3   MET   92  12.53 +/- 2.95  11.651% *  6.3300% (0.31   0.02   0.02) =   7.006%  kept
          HA    PRO   58 - HB3   MET   92  14.08 +/- 2.39   6.640% *  5.1139% (0.25   0.02   0.02) =   3.226%  kept
          HA    GLN   17 - HB3   MET   92  24.10 +/- 5.80   1.787% * 17.7900% (0.87   0.02   0.02) =   3.021%  kept
          HA    GLU-  15 - HB3   MET   92  26.99 +/- 6.31   3.236% *  5.7022% (0.28   0.02   0.02) =   1.753%  kept
          HA    SER   37 - HB3   MET   92  27.81 +/- 3.61   0.956% * 17.7900% (0.87   0.02   0.02) =   1.615%  kept
          HA    LEU   40 - HB3   MET   92  20.60 +/- 2.49   2.083% *  3.1644% (0.15   0.02   0.02) =   0.626%  kept
          HA    SER   13 - HB3   MET   92  31.38 +/- 5.40   1.142% *  5.7022% (0.28   0.02   0.02) =   0.619%  kept
    Distance limit 4.30 A violated in 17 structures by 2.33 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.7:
      O T HA    MET   92 - HG3   MET   92   3.18 +/- 0.67  92.205% * 99.9198% (0.99  10.0 10.00   3.97  62.67) =  99.996%  kept
          HA    LYS+  74 - HG3   MET   92  15.20 +/- 3.04   7.371% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HA    HIS  122 - HG3   MET   92  22.45 +/- 2.21   0.424% *  0.0311% (0.31   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 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 4.04, residual support = 62.6:
          HN    MET   92 - HG3   MET   92   4.05 +/- 0.39  73.119% * 99.2792% (0.92   4.04  62.67) =  99.891%  kept
          HN    THR   46 - HG3   MET   92   9.37 +/- 2.09  14.402% *  0.4066% (0.76   0.02   0.02) =   0.081%
          HN    LYS+  74 - HG3   MET   92  16.88 +/- 3.55   8.848% *  0.1815% (0.34   0.02   0.02) =   0.022%
          HN    ASP- 113 - HG3   MET   92  13.42 +/- 3.09   3.631% *  0.1327% (0.25   0.02   0.02) =   0.007%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.41, support = 0.454, residual support = 0.531:
          QD    PHE   45 - HB2   PRO   93   6.47 +/- 1.17  63.693% * 97.9320% (0.41   0.46   0.53) =  99.421%  kept
          HN    LYS+  65 - HB2   PRO   93  11.90 +/- 2.83  20.568% *  1.6086% (0.15   0.02   0.02) =   0.527%  kept
          QD    PHE   45 - HG3   GLN   30  15.76 +/- 2.48   5.944% *  0.3340% (0.03   0.02   0.02) =   0.032%
          HN    LYS+  65 - HG3   GLN   30  14.91 +/- 2.59   9.794% *  0.1254% (0.01   0.02   0.02) =   0.020%
    Distance limit 4.41 A violated in 13 structures by 1.80 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.39, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.99 +/- 0.28  89.230% * 99.8806% (1.00  10.0   4.39  15.64) =  99.995%  kept
          HN    GLU-  79 - HB2   PRO   93  12.48 +/- 2.35   4.569% *  0.0727% (0.73   1.0   0.02   0.02) =   0.004%
          HN    SER   85 - HB2   PRO   93  15.22 +/- 2.81   3.023% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    THR   94 - HG3   GLN   30  18.96 +/- 2.60   1.158% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  18.86 +/- 4.05   1.264% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  24.77 +/- 6.16   0.756% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.38, support = 0.02, residual support = 0.473:
          QD    PHE   45 - HG2   PRO   93   7.96 +/- 0.96  73.388% * 72.7108% (0.41   0.02   0.53) =  88.021%  kept
          HN    LYS+  65 - HG2   PRO   93  13.19 +/- 3.22  26.612% * 27.2892% (0.15   0.02   0.02) =  11.979%  kept
    Distance limit 4.24 A violated in 19 structures by 3.36 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   2.55 +/- 0.30  92.606% * 98.6893% (0.84  10.0  1.00   5.30 132.35) =  99.989%  kept
          HB2   ARG+  54 - HG3   PRO   93  10.08 +/- 3.02   2.933% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - HG3   PRO   93  21.85 +/- 4.23   0.360% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL  108 - HG3   PRO   93  10.97 +/- 2.10   2.050% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HG3   PRO   93  13.58 +/- 1.70   0.799% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   93  20.63 +/- 4.15   0.675% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG3   PRO   93  21.09 +/- 3.90   0.399% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  25.62 +/- 1.50   0.105% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  33.96 +/- 6.09   0.075% *  0.0182% (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 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  93.138% * 96.9677% (0.99  10.0 10.00   3.97 132.35) =  99.987%  kept
        T QB    LYS+  65 - HG3   PRO   93  12.63 +/- 2.96   1.004% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.008%
          HB3   PRO   52 - HG3   PRO   93   9.22 +/- 4.63   4.912% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - HG3   PRO   93  17.09 +/- 3.01   0.187% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   PRO   93  20.86 +/- 1.06   0.057% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HG3   PRO   93  18.11 +/- 2.05   0.099% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.05 +/- 2.81   0.237% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.90 +/- 3.25   0.118% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  17.58 +/- 1.43   0.099% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  22.89 +/- 5.58   0.149% *  0.0218% (0.22   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 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 129.6:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  77.709% * 74.0357% (0.95  10.0 10.00   3.97 132.35) =  97.928%  kept
          HB3   MET   92 - HG2   PRO   93   4.70 +/- 0.79   4.787% * 15.9173% (0.92   1.0  1.00   4.41   1.91) =   1.297%  kept
        T HD2   LYS+ 111 - HG2   PRO   93  11.80 +/- 4.75   5.159% *  8.6571% (0.98   1.0 10.00   0.23   0.02) =   0.760%  kept
          HB2   LEU   73 - HG2   PRO   93  14.92 +/- 4.46  10.700% *  0.0627% (0.80   1.0  1.00   0.02   0.02) =   0.011%
        T QD    LYS+  65 - HG2   PRO   93  13.55 +/- 3.13   0.683% *  0.1742% (0.22   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   PRO   93  21.56 +/- 1.46   0.044% *  0.6267% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  22.50 +/- 3.86   0.074% *  0.3218% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.69 +/- 1.57   0.244% *  0.0475% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  14.27 +/- 2.94   0.360% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.20 +/- 2.32   0.083% *  0.0755% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.56 +/- 1.48   0.051% *  0.0443% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.85 +/- 1.93   0.106% *  0.0155% (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 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.51 +/- 0.29  76.036% * 99.5358% (0.97  10.0   3.97 132.35) =  99.971%  kept
          HB3   CYS   53 - HG3   PRO   93   7.42 +/- 3.33  10.992% *  0.0861% (0.84   1.0   0.02   0.02) =   0.013%
          QB    PHE   55 - HG3   PRO   93   7.86 +/- 3.63   6.774% *  0.1029% (1.00   1.0   0.02   0.02) =   0.009%
          HB2   PHE   59 - HG3   PRO   93   9.93 +/- 2.38   2.610% *  0.0952% (0.92   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HG3   PRO   93  11.44 +/- 2.97   2.917% *  0.0788% (0.76   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - HG3   PRO   93  18.56 +/- 3.52   0.671% *  0.1011% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.65 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   2.67 +/- 0.27  93.234% * 99.4436% (0.25  10.0   3.97 132.35) =  99.988%  kept
          HA    THR   77 - HG3   PRO   93  11.44 +/- 1.78   1.609% *  0.3681% (0.92   1.0   0.02   0.02) =   0.006%
          HB2   TRP   27 - HG3   PRO   93  19.12 +/- 3.92   4.660% *  0.0994% (0.25   1.0   0.02   0.02) =   0.005%
          HA    LEU   31 - HG3   PRO   93  20.73 +/- 3.60   0.497% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 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  13.27 +/- 2.98 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.29 A violated in 20 structures by 8.98 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.78, residual support = 3.84:
          HN    ALA  110 - HD2   PRO   93   7.22 +/- 4.95  50.080% * 74.8784% (0.71   2.00   4.49) =  83.740%  kept
          HN    PHE   45 - HD2   PRO   93   7.38 +/- 1.31  31.197% * 21.2459% (0.61   0.67   0.53) =  14.801%  kept
          HN    ASP-  44 - HD2   PRO   93  10.63 +/- 2.31  17.407% *  3.7419% (0.11   0.63   0.02) =   1.455%  kept
          HN    GLU-  25 - HD2   PRO   93  22.55 +/- 3.41   1.316% *  0.1338% (0.13   0.02   0.02) =   0.004%
    Distance limit 4.35 A violated in 4 structures by 0.58 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.417, support = 0.02, residual support = 0.02:
          HA1   GLY  109 - HD2   PRO   93   8.49 +/- 4.30  44.046% * 14.0670% (0.38   0.02   0.02) =  44.749%  kept
          HA    CYS   50 - HD2   PRO   93  10.41 +/- 2.88  27.328% * 13.0143% (0.35   0.02   0.02) =  25.686%  kept
          HA    TRP   49 - HD2   PRO   93  13.56 +/- 1.94   8.775% * 18.3659% (0.50   0.02   0.02) =  11.639%  kept
          HA    CYS   21 - HD2   PRO   93  20.83 +/- 3.81   5.684% * 23.1925% (0.63   0.02   0.02) =   9.521%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.18 +/- 0.80   2.276% * 26.6778% (0.72   0.02   0.02) =   4.384%  kept
          HA    ALA   20 - HD2   PRO   93  19.80 +/- 4.69  11.892% *  4.6825% (0.13   0.02   0.02) =   4.022%  kept
    Distance limit 4.31 A violated in 15 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.685, support = 1.97, residual support = 4.43:
          QB    ALA  110 - HD2   PRO   93   6.48 +/- 4.77  35.970% * 92.9394% (0.69   2.00   4.49) =  98.730%  kept
          QB    ALA   61 - HD2   PRO   93   9.87 +/- 2.32  16.079% *  0.9803% (0.72   0.02   0.02) =   0.465%  kept
          HB3   LEU   67 - HD2   PRO   93  17.67 +/- 3.77   8.747% *  0.9294% (0.69   0.02   0.02) =   0.240%  kept
          HG    LEU   80 - HD2   PRO   93  15.45 +/- 4.11   6.627% *  0.9482% (0.70   0.02   0.02) =   0.186%  kept
          HG    LEU   73 - HD2   PRO   93  16.12 +/- 3.43   5.123% *  0.5959% (0.44   0.02   0.02) =   0.090%
          HB2   LEU   80 - HD2   PRO   93  14.86 +/- 3.15   4.529% *  0.4782% (0.35   0.02   0.02) =   0.064%
          HB3   LYS+  74 - HD2   PRO   93  15.45 +/- 3.18   6.563% *  0.3032% (0.22   0.02   0.02) =   0.059%
          QG    LYS+  66 - HD2   PRO   93  17.10 +/- 2.73   2.335% *  0.7867% (0.58   0.02   0.02) =   0.054%
          HB3   LEU  115 - HD2   PRO   93  10.73 +/- 1.96   8.185% *  0.1721% (0.13   0.02   0.02) =   0.042%
          HG12  ILE   19 - HD2   PRO   93  21.55 +/- 4.67   1.343% *  0.8811% (0.65   0.02   0.02) =   0.035%
          HG    LEU   40 - HD2   PRO   93  18.20 +/- 2.71   2.525% *  0.1721% (0.13   0.02   0.02) =   0.013%
          HD3   LYS+ 121 - HD2   PRO   93  19.22 +/- 2.28   1.288% *  0.3351% (0.25   0.02   0.02) =   0.013%
          HG2   LYS+ 102 - HD2   PRO   93  24.25 +/- 1.24   0.685% *  0.4782% (0.35   0.02   0.02) =   0.010%
    Distance limit 3.89 A violated in 5 structures by 1.03 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.542, support = 1.56, residual support = 8.8:
          QB    ALA  110 - HD3   PRO   93   7.22 +/- 4.78  24.452% * 57.2243% (0.78   0.75   4.49) =  65.288%  kept
          HB3   LEU   67 - HD3   PRO   68   4.25 +/- 0.41  26.016% * 25.8357% (0.08   3.39  18.73) =  31.361%  kept
          QG    LYS+  66 - HD3   PRO   68   5.61 +/- 0.98  13.148% *  2.9047% (0.05   0.60   0.02) =   1.782%  kept
          QB    ALA   61 - HD3   PRO   93   9.55 +/- 2.26   8.308% *  1.1380% (0.58   0.02   0.02) =   0.441%  kept
          HG    LEU   80 - HD3   PRO   93  15.08 +/- 3.90   6.328% *  1.4694% (0.75   0.02   0.02) =   0.434%  kept
          HB2   LEU   80 - HD3   PRO   93  14.44 +/- 3.15   3.885% *  1.6641% (0.85   0.02   0.02) =   0.302%  kept
          HB3   LYS+  74 - HD3   PRO   93  15.03 +/- 3.20   1.881% *  1.4087% (0.72   0.02   0.02) =   0.124%  kept
          HB3   LEU   67 - HD3   PRO   93  17.72 +/- 3.57   1.168% *  0.8563% (0.44   0.02   0.02) =   0.047%
          HG    LEU   80 - HD3   PRO   68  21.97 +/- 4.97   2.322% *  0.2615% (0.13   0.02   0.02) =   0.028%
          HG12  ILE   19 - HD3   PRO   93  21.51 +/- 4.85   0.327% *  1.6239% (0.83   0.02   0.02) =   0.025%
          QB    ALA   61 - HD3   PRO   68  10.15 +/- 1.03   1.977% *  0.2025% (0.10   0.02   0.02) =   0.019%
          HG    LEU   73 - HD3   PRO   93  16.02 +/- 3.39   1.296% *  0.3081% (0.16   0.02   0.02) =   0.019%
          HD3   LYS+ 121 - HD3   PRO   93  19.97 +/- 2.02   0.268% *  1.4694% (0.75   0.02   0.02) =   0.018%
          QB    LEU   98 - HD3   PRO   93  16.82 +/- 1.11   0.425% *  0.9256% (0.47   0.02   0.02) =   0.018%
          QG    LYS+  66 - HD3   PRO   93  16.96 +/- 2.72   0.638% *  0.5430% (0.28   0.02   0.02) =   0.016%
          HG12  ILE   19 - HD3   PRO   68  13.79 +/- 4.23   1.182% *  0.2890% (0.15   0.02   0.02) =   0.016%
          HB3   LYS+  74 - HD3   PRO   68  13.04 +/- 2.55   1.342% *  0.2507% (0.13   0.02   0.02) =   0.016%
          HB2   LEU   80 - HD3   PRO   68  21.67 +/- 4.28   0.979% *  0.2962% (0.15   0.02   0.02) =   0.014%
          HD3   LYS+ 121 - HD3   PRO   68  16.27 +/- 4.80   0.735% *  0.2615% (0.13   0.02   0.02) =   0.009%
          QB    ALA   12 - HD3   PRO   93  27.07 +/- 4.85   0.331% *  0.4891% (0.25   0.02   0.02) =   0.008%
          QB    LEU   98 - HD3   PRO   68  16.09 +/- 3.65   0.686% *  0.1647% (0.08   0.02   0.02) =   0.005%
          QB    ALA  110 - HD3   PRO   68  18.61 +/- 2.36   0.361% *  0.2716% (0.14   0.02   0.02) =   0.005%
          QB    ALA   12 - HD3   PRO   68  16.35 +/- 3.72   1.115% *  0.0870% (0.04   0.02   0.02) =   0.005%
          HG    LEU   73 - HD3   PRO   68  14.19 +/- 1.66   0.830% *  0.0548% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.06:
          QG2   ILE   89 - HB    THR   94   6.73 +/- 2.60 100.000% *100.0000% (0.28   2.00   5.06) = 100.000%  kept
    Distance limit 3.41 A violated in 13 structures by 3.33 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.748, support = 1.83, residual support = 4.47:
          QD1   ILE   89 - HB    THR   94   6.94 +/- 3.34  49.534% * 82.8660% (0.77   2.00   5.06) =  88.418%  kept
          QG2   VAL   83 - HB    THR   94   8.45 +/- 3.02  31.545% * 16.9101% (0.57   0.55   0.02) =  11.490%  kept
          QD2   LEU   31 - HB    THR   94  13.62 +/- 2.55  18.922% *  0.2238% (0.21   0.02   0.02) =   0.091%
    Distance limit 3.75 A violated in 10 structures by 2.64 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.7:
        T HB2   PHE   45 - HB    THR   94   2.92 +/- 0.86  93.369% * 99.8423% (0.81 10.00   2.96  27.69) =  99.993%  kept
          QE    LYS+ 111 - HB    THR   94  12.74 +/- 2.09   5.652% *  0.1032% (0.83  1.00   0.02   0.02) =   0.006%
          HB2   CYS   21 - HB    THR   94  16.57 +/- 3.82   0.979% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.09 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  13.25 +/- 2.95 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.05 A violated in 20 structures by 10.19 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   2.60 +/- 0.20  96.836% * 99.8964% (0.83  10.0   3.08  24.98) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  11.83 +/- 2.39   1.548% *  0.0727% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB    THR   94  13.20 +/- 3.38   1.617% *  0.0309% (0.26   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 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 = 3.39, residual support = 27.3:
          HN    PHE   45 - HB    THR   94   3.63 +/- 0.68  88.274% * 90.3987% (0.81   3.43  27.69) =  98.609%  kept
          HN    ALA  110 - HB    THR   94   9.13 +/- 2.41  11.726% *  9.6013% (0.67   0.44   0.02) =   1.391%  kept
    Distance limit 4.32 A violated in 0 structures by 0.01 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   5.30 +/- 0.75 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 12 structures by 1.73 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 = 4.37, residual support = 14.8:
          HN    PHE   95 - QG2   THR   94   2.61 +/- 0.43 100.000% *100.0000% (0.97   4.37  14.82) = 100.000%  kept
    Distance limit 3.25 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 = 0.637, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  12.30 +/- 1.00  23.548% * 27.7167% (0.84   0.02   0.02) =  38.888%  kept
          HA    TRP   87 - HA    PHE   95  16.16 +/- 4.56  17.819% * 25.3593% (0.76   0.02   0.02) =  26.923%  kept
          HA    PHE   59 - HA    PHE   95  10.28 +/- 1.69  39.209% *  8.2742% (0.25   0.02   0.02) =  19.330%  kept
          HA    ASP-  86 - HA    PHE   95  17.21 +/- 4.63  12.915% * 12.4539% (0.38   0.02   0.02) =   9.583%  kept
          HA    GLU-  14 - HA    PHE   95  23.05 +/- 2.98   4.179% * 14.8769% (0.45   0.02   0.02) =   3.705%  kept
          HA    ALA   12 - HA    PHE   95  27.31 +/- 3.11   2.330% * 11.3190% (0.34   0.02   0.02) =   1.571%  kept
    Distance limit 3.60 A violated in 20 structures by 5.44 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   2.43 +/- 0.40  98.582% * 99.8140% (0.87   3.44  73.46) =  99.997%  kept
          HN    ALA   47 - HA    PHE   95  10.72 +/- 1.42   1.418% *  0.1860% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.75 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   2.23 +/- 0.06  99.196% * 99.9753% (0.80  10.0   3.99  11.97) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.66 +/- 1.75   0.804% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.92 +/- 0.03 100.000% *100.0000% (0.53  10.0   4.33  73.46) = 100.000%  kept
    Distance limit 3.86 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   2.37 +/- 0.09  98.885% * 99.9680% (0.87  10.0   3.00  73.46) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.81 +/- 1.75   1.115% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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   2.66 +/- 0.15  98.536% * 99.9680% (0.87  10.0   3.31  73.46) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  11.79 +/- 1.50   1.464% *  0.0320% (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 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   3.46 +/- 0.43 100.000% *100.0000% (0.53  10.0   4.19  73.46) = 100.000%  kept
    Distance limit 3.90 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   2.64 +/- 0.34 100.000% *100.0000% (0.53  10.0   3.86  73.46) = 100.000%  kept
    Distance limit 3.63 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 = 1.7, residual support = 41.7:
          QG2   VAL  107 - HB3   PHE   95   3.74 +/- 0.66  76.822% * 90.3071% (0.84   1.71  41.95) =  99.348%  kept
          HG13  ILE  103 - HB3   PHE   95  10.18 +/- 1.26   5.020% *  6.3254% (0.38   0.27   0.02) =   0.455%  kept
          HG2   LYS+ 121 - HB3   PHE   95  12.89 +/- 3.93   4.520% *  1.2393% (0.98   0.02   0.02) =   0.080%
          HG13  ILE  119 - HB3   PHE   95   9.01 +/- 2.34   9.936% *  0.5198% (0.41   0.02   0.02) =   0.074%
          QB    ALA   20 - HB3   PHE   95  15.17 +/- 2.47   1.888% *  1.1339% (0.90   0.02   0.02) =   0.031%
          HB3   LEU   31 - HB3   PHE   95  15.58 +/- 3.80   1.815% *  0.4745% (0.38   0.02   0.02) =   0.012%
    Distance limit 4.02 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.722, support = 1.31, residual support = 4.43:
          QD2   LEU  115 - HB3   PHE   95   6.35 +/- 2.24  29.226% * 43.7558% (0.90   1.28   7.96) =  47.333%  kept
          QD1   LEU   63 - HB3   PHE   95   6.45 +/- 2.78  32.137% * 32.9504% (0.57   1.52   1.58) =  39.194%  kept
          QD1   LEU   73 - HB3   PHE   95  10.40 +/- 3.75  18.467% * 18.4687% (0.57   0.85   0.37) =  12.624%  kept
          QG2   ILE   89 - HB3   PHE   95  11.75 +/- 2.51   3.978% *  2.7983% (0.15   0.47   0.02) =   0.412%  kept
          QD1   LEU  104 - HB3   PHE   95   9.74 +/- 2.14  12.022% *  0.7650% (1.00   0.02   0.02) =   0.340%  kept
          QG1   VAL   83 - HB3   PHE   95  13.66 +/- 2.81   2.412% *  0.5555% (0.73   0.02   0.02) =   0.050%
          QD2   LEU   80 - HB3   PHE   95  14.45 +/- 2.40   1.758% *  0.7062% (0.92   0.02   0.02) =   0.046%
    Distance limit 3.79 A violated in 2 structures by 0.42 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.613, support = 0.73, residual support = 1.05:
          QG1   VAL   42 - HB3   PHE   95   4.43 +/- 1.61  56.329% * 34.8627% (0.65   0.75   1.02) =  68.976%  kept
          QB    ALA   64 - HB3   PHE   95   8.42 +/- 1.85  14.352% * 34.2995% (0.53   0.91   0.50) =  17.291%  kept
          QB    ALA   47 - HB3   PHE   95  10.92 +/- 1.81   9.779% * 21.6755% (0.76   0.39   0.02) =   7.445%  kept
          HG2   LYS+ 112 - HB3   PHE   95  11.25 +/- 3.09  19.540% *  9.1624% (0.31   0.41   4.12) =   6.288%  kept
    Distance limit 3.80 A violated in 2 structures by 0.56 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.56, residual support = 41.9:
          QG2   VAL  107 - HB2   PHE   95   2.89 +/- 0.53  87.467% * 94.2187% (0.34   3.56  41.95) =  99.864%  kept
          HG13  ILE  119 - HB2   PHE   95   9.53 +/- 2.38   3.842% *  1.3902% (0.90   0.02   0.02) =   0.065%
          HD3   LYS+ 112 - HB2   PHE   95  11.23 +/- 2.63   4.438% *  0.4310% (0.28   0.02   4.12) =   0.023%
          HG2   LYS+ 121 - HB2   PHE   95  13.30 +/- 3.95   1.816% *  0.8776% (0.57   0.02   0.02) =   0.019%
          HB3   LEU   31 - HB2   PHE   95  16.42 +/- 3.68   0.857% *  1.3447% (0.87   0.02   0.02) =   0.014%
          QB    ALA   20 - HB2   PHE   95  16.07 +/- 2.18   0.669% *  1.4310% (0.92   0.02   0.02) =   0.012%
          QG1   VAL   24 - HB2   PHE   95  16.14 +/- 3.89   0.911% *  0.3068% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.95 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 = 4.2, residual support = 41.9:
        T HB    VAL  107 - HB2   PHE   95   1.97 +/- 0.34  92.940% * 99.1310% (0.80 10.00   4.21  41.95) =  99.969%  kept
          QE    LYS+ 112 - HB2   PHE   95   9.70 +/- 2.70   4.450% *  0.6013% (0.38  1.00   0.26   4.12) =   0.029%
          QG    GLU-  79 - HB2   PHE   95  16.20 +/- 2.75   0.936% *  0.0850% (0.69  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HB2   PHE   95   9.07 +/- 0.87   1.337% *  0.0465% (0.38  1.00   0.02   1.89) =   0.001%
          QG    GLN   32 - HB2   PHE   95  19.84 +/- 2.73   0.137% *  0.1171% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.90 +/- 0.99   0.199% *  0.0191% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.877, support = 0.676, residual support = 4.1:
          QD1   ILE   89 - QG2   THR   94   6.43 +/- 3.29  46.498% * 72.9437% (0.92   0.75   5.06) =  80.940%  kept
          QG2   VAL   83 - QG2   THR   94   7.74 +/- 2.91  29.632% * 26.5309% (0.69   0.37   0.02) =  18.761%  kept
          QD2   LEU   31 - QG2   THR   94  11.32 +/- 2.39  23.870% *  0.5254% (0.25   0.02   0.02) =   0.299%  kept
    Distance limit 3.19 A violated in 12 structures by 2.33 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.14:
        T HA    LYS+ 106 - HA    MET   96   3.03 +/- 0.80 100.000% *100.0000% (0.97 10.00   1.07   2.14) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.3:
      O   HN    PHE   97 - HA    MET   96   2.26 +/- 0.08  98.698% * 99.8692% (0.88  10.0   6.07  44.29) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  11.56 +/- 1.55   0.866% *  0.0999% (0.88   1.0   0.02   0.19) =   0.001%
          HN    ASP- 113 - HA    MET   96  14.56 +/- 1.75   0.436% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.4:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.02 100.000% *100.0000% (0.63  10.0   4.09 115.43) = 100.000%  kept
    Distance limit 3.83 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 = 0.488, support = 1.79, residual support = 7.92:
        T QE    PHE   45 - HB2   MET   96   4.37 +/- 1.20  66.900% * 98.1351% (0.49 10.00   1.80   7.96) =  99.517%  kept
        T HZ    PHE   72 - HB2   MET   96  11.02 +/- 2.78  17.208% *  1.7111% (0.76 10.00   0.02   0.02) =   0.446%  kept
          QD    PHE   72 - HB2   MET   96   9.03 +/- 2.47  15.892% *  0.1538% (0.69  1.00   0.02   0.02) =   0.037%
    Distance limit 3.90 A violated in 2 structures by 0.46 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.3:
          HN    PHE   97 - HB2   MET   96   4.10 +/- 0.54  94.095% * 99.4516% (0.92   6.07  44.29) =  99.987%  kept
          HN    LEU  115 - HB2   MET   96  13.41 +/- 1.61   3.282% *  0.3276% (0.92   0.02   0.19) =   0.011%
          HN    ASN   35 - HB2   MET   96  16.00 +/- 2.22   2.208% *  0.0480% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   MET   96  28.02 +/- 3.29   0.415% *  0.1727% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.03, residual support = 115.4:
      O   HN    MET   96 - HB2   MET   96   2.70 +/- 0.40 100.000% *100.0000% (0.65  10.0   4.03 115.43) = 100.000%  kept
    Distance limit 3.80 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 = 0.785, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  11.25 +/- 2.49  38.054% * 81.6578% (0.99   0.02   0.02) =  73.225%  kept
          QD    PHE   72 - HB3   MET   96   9.30 +/- 2.19  61.946% * 18.3422% (0.22   0.02   0.02) =  26.775%  kept
    Distance limit 3.74 A violated in 20 structures by 4.97 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.4:
      O   HN    MET   96 - HB3   MET   96   2.81 +/- 0.34 100.000% *100.0000% (0.65  10.0   3.97 115.43) = 100.000%  kept
    Distance limit 3.73 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 = 0.732, support = 1.96, residual support = 15.7:
          QG1   VAL   43 - HB2   MET   96   2.85 +/- 0.83  70.134% * 64.9651% (0.73   2.00  16.20) =  97.167%  kept
          QG2   THR   46 - HB2   MET   96   9.96 +/- 1.24   3.650% * 32.1961% (0.98   0.73   0.02) =   2.506%  kept
          QG1   VAL   41 - HB2   MET   96   8.12 +/- 1.96  15.283% *  0.4707% (0.53   0.02   0.02) =   0.153%  kept
          QD2   LEU  104 - HB2   MET   96   7.82 +/- 1.07   8.436% *  0.7164% (0.80   0.02   0.02) =   0.129%  kept
          QG2   VAL   18 - HB2   MET   96  13.97 +/- 3.67   1.448% *  0.8259% (0.92   0.02   0.02) =   0.026%
          QD1   ILE   19 - HB2   MET   96  13.96 +/- 2.33   1.048% *  0.8259% (0.92   0.02   0.02) =   0.018%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.856, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96  10.46 +/- 3.51  36.082% * 36.4416% (0.92   0.02   0.02) =  39.599%  kept
          QG2   VAL   83 - HB2   MET   96  10.34 +/- 4.29  29.203% * 36.4416% (0.92   0.02   0.02) =  32.050%  kept
          QD1   ILE   89 - HB2   MET   96  10.39 +/- 4.73  34.716% * 27.1168% (0.69   0.02   0.02) =  28.351%  kept
    Distance limit 4.00 A violated in 15 structures by 2.97 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.673, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96  10.20 +/- 5.16  53.290% * 94.3530% (0.69 10.00   0.02   0.02) =  95.015%  kept
          QG2   VAL   83 - HB3   MET   96  10.46 +/- 4.58  46.710% *  5.6470% (0.41  1.00   0.02   0.02) =   4.985%  kept
    Distance limit 4.00 A violated in 15 structures by 4.83 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 = 44.3:
          HN    PHE   97 - HG2   MET   96   3.84 +/- 0.62  90.336% * 99.1281% (0.92   5.59  44.29) =  99.983%  kept
          HN    LEU  115 - HG2   MET   96  14.39 +/- 1.61   2.355% *  0.3545% (0.92   0.02   0.19) =   0.009%
          HN    LEU  115 - HB2   PRO   52  13.37 +/- 2.39   3.509% *  0.1041% (0.27   0.02   0.02) =   0.004%
          HN    PHE   97 - HB2   PRO   52  19.49 +/- 3.50   1.037% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  16.32 +/- 3.02   1.996% *  0.0520% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HG2   MET   96  28.77 +/- 3.60   0.354% *  0.1869% (0.49   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   PRO   52  37.19 +/- 4.70   0.182% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.35 +/- 3.44   0.230% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 5.95, residual support = 44.3:
          HN    PHE   97 - HG3   MET   96   3.11 +/- 0.58  97.515% * 99.5618% (0.54   5.95  44.29) =  99.994%  kept
          HN    LEU  115 - HG3   MET   96  13.76 +/- 1.40   1.499% *  0.3345% (0.54   0.02   0.19) =   0.005%
          HN    ASP- 113 - HG3   MET   96  16.65 +/- 1.92   0.986% *  0.1037% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.721, support = 1.6, residual support = 4.29:
          QG2   THR   94 - HG2   MET   96   5.26 +/- 0.87  29.951% * 65.5329% (0.99   1.31   3.42) =  63.449%  kept
          HG13  ILE  103 - HG2   MET   96   4.56 +/- 2.15  41.462% * 26.7883% (0.25   2.13   5.90) =  35.904%  kept
          HB3   LYS+ 112 - HG2   MET   96  17.49 +/- 3.04   2.278% *  3.8349% (0.98   0.08   0.02) =   0.282%  kept
          QG2   THR   94 - HB2   PRO   52  12.15 +/- 2.75   2.878% *  1.1059% (0.29   0.08   0.02) =   0.103%  kept
          HD2   LYS+ 112 - HG2   MET   96  17.89 +/- 4.06   2.895% *  0.8735% (0.87   0.02   0.02) =   0.082%
          HD2   LYS+ 112 - HB2   PRO   52  11.70 +/- 3.74   9.092% *  0.2566% (0.25   0.02   0.02) =   0.075%
          HB3   LYS+ 112 - HB2   PRO   52  11.20 +/- 3.16   5.494% *  0.2900% (0.29   0.02   0.02) =   0.051%
          HB3   LEU   71 - HG2   MET   96  16.20 +/- 3.36   1.583% *  0.8064% (0.80   0.02   0.02) =   0.041%
          HG3   LYS+ 111 - HG2   MET   96  15.94 +/- 2.69   1.128% *  0.1554% (0.15   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HB2   PRO   52  13.14 +/- 3.13   2.683% *  0.0456% (0.05   0.02   0.02) =   0.004%
          HB3   LEU   71 - HB2   PRO   52  25.84 +/- 2.70   0.224% *  0.2369% (0.24   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB2   PRO   52  22.81 +/- 4.14   0.331% *  0.0738% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.865, support = 2.3, residual support = 5.7:
          QG2   ILE  103 - HG2   MET   96   4.46 +/- 1.28  31.757% * 65.6993% (1.00   2.67   5.90) =  71.118%  kept
          QD1   ILE  103 - HG2   MET   96   4.04 +/- 1.88  41.342% * 18.0467% (0.49   1.50   5.90) =  25.432%  kept
          QD2   LEU   40 - HG2   MET   96   9.25 +/- 2.73   6.993% * 13.8272% (0.95   0.59   0.02) =   3.296%  kept
          HB    VAL   75 - HG2   MET   96  10.69 +/- 2.73   5.952% *  0.1853% (0.38   0.02   0.02) =   0.038%
          QD1   LEU   67 - HG2   MET   96  12.02 +/- 2.36   2.259% *  0.4766% (0.97   0.02   0.02) =   0.037%
          HG3   LYS+  74 - HG2   MET   96  15.72 +/- 2.91   1.766% *  0.4894% (0.99   0.02   0.02) =   0.029%
          QD2   LEU   71 - HG2   MET   96  13.37 +/- 2.13   2.362% *  0.2995% (0.61   0.02   0.02) =   0.024%
          QG2   ILE  119 - HG2   MET   96  14.75 +/- 2.79   1.463% *  0.1524% (0.31   0.02   0.02) =   0.008%
          QG2   ILE  103 - HB2   PRO   52  18.46 +/- 3.59   0.697% *  0.1447% (0.29   0.02   0.02) =   0.003%
          QD1   LEU   67 - HB2   PRO   52  17.77 +/- 2.08   0.667% *  0.1400% (0.28   0.02   0.02) =   0.003%
          QG2   ILE  119 - HB2   PRO   52  14.42 +/- 2.31   1.966% *  0.0448% (0.09   0.02   0.02) =   0.003%
          QD2   LEU   40 - HB2   PRO   52  19.37 +/- 2.25   0.561% *  0.1372% (0.28   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HB2   PRO   52  20.15 +/- 3.92   0.530% *  0.1438% (0.29   0.02   0.02) =   0.003%
          HB    VAL   75 - HB2   PRO   52  17.60 +/- 3.04   0.782% *  0.0544% (0.11   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   PRO   52  19.27 +/- 3.33   0.502% *  0.0706% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   PRO   52  20.99 +/- 2.71   0.403% *  0.0880% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 1 structures by 0.33 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.289, support = 0.513, residual support = 0.266:
          HG    LEU   98 - HG3   MET   96   5.82 +/- 1.88  22.690% * 23.9904% (0.25   0.66   0.16) =  65.022%  kept
          QB    LEU   98 - HG3   MET   96   4.79 +/- 1.12  24.246% *  4.6600% (0.14   0.24   0.16) =  13.496%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.09 +/- 1.54   1.570% * 38.6247% (0.59   0.45   0.02) =   7.242%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.67 +/- 1.92  30.029% *  1.7613% (0.61   0.02   2.14) =   6.318%  kept
          HB3   PRO   93 - HG3   MET   96  11.71 +/- 1.06   1.962% * 17.8131% (0.34   0.36   0.02) =   4.174%  kept
          HB3   ASP-  44 - HG3   MET   96  10.07 +/- 1.57   3.301% *  2.8256% (0.12   0.16   0.02) =   1.114%  kept
          HB    VAL   42 - HG3   MET   96   8.92 +/- 1.99   4.657% *  1.5831% (0.54   0.02   0.02) =   0.881%  kept
          HB3   LEU   73 - HG3   MET   96  12.63 +/- 3.87   3.260% *  1.6698% (0.57   0.02   0.11) =   0.650%  kept
          QB    ALA   84 - HG3   MET   96  13.93 +/- 4.09   5.035% *  0.9287% (0.32   0.02   0.02) =   0.559%  kept
          HB2   LYS+ 112 - HG3   MET   96  16.78 +/- 2.90   1.350% *  1.7496% (0.60   0.02   0.02) =   0.282%  kept
          HG3   LYS+  33 - HG3   MET   96  17.70 +/- 2.75   0.647% *  1.4744% (0.51   0.02   0.02) =   0.114%  kept
          HG3   LYS+  65 - HG3   MET   96  18.27 +/- 2.07   0.478% *  1.5831% (0.54   0.02   0.02) =   0.090%
          QB    ALA  124 - HG3   MET   96  18.25 +/- 3.43   0.551% *  0.5448% (0.19   0.02   0.02) =   0.036%
          QB    ALA   12 - HG3   MET   96  23.44 +/- 3.60   0.226% *  0.7914% (0.27   0.02   0.02) =   0.021%
    Distance limit 3.97 A violated in 1 structures by 0.14 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 = 0.436, support = 1.59, residual support = 4.3:
          QG2   THR   94 - HG3   MET   96   5.29 +/- 1.12  37.730% * 62.1122% (0.60  1.00   1.31   3.42) =  62.644%  kept
          HG13  ILE  103 - HG3   MET   96   4.38 +/- 1.95  54.538% * 25.0624% (0.15  1.00   2.11   5.90) =  36.537%  kept
        T HD2   LYS+ 112 - HG3   MET   96  17.33 +/- 3.74   2.534% *  8.2792% (0.53 10.00   0.02   0.02) =   0.561%  kept
          HB3   LYS+ 112 - HG3   MET   96  16.89 +/- 2.91   2.322% *  3.6347% (0.59  1.00   0.08   0.02) =   0.226%  kept
          HB3   LEU   71 - HG3   MET   96  16.32 +/- 3.36   1.271% *  0.7643% (0.49  1.00   0.02   0.02) =   0.026%
          HG3   LYS+ 111 - HG3   MET   96  15.25 +/- 2.88   1.606% *  0.1473% (0.09  1.00   0.02   0.02) =   0.006%
    Distance limit 3.83 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.535, support = 2.34, residual support = 5.76:
          QG2   ILE  103 - HG3   MET   96   4.06 +/- 1.02  40.596% * 67.1558% (0.61   2.64   5.90) =  75.270%  kept
          QD1   ILE  103 - HG3   MET   96   4.09 +/- 1.64  41.876% * 19.3339% (0.30   1.56   5.90) =  22.353%  kept
          QD2   LEU   40 - HG3   MET   96   9.09 +/- 2.85   6.981% * 11.8529% (0.57   0.49   0.02) =   2.285%  kept
          QD1   LEU   67 - HG3   MET   96  12.03 +/- 2.59   2.017% *  0.4926% (0.59   0.02   0.02) =   0.027%
          HG3   LYS+  74 - HG3   MET   96  16.10 +/- 3.20   1.792% *  0.5060% (0.60   0.02   0.02) =   0.025%
          HB    VAL   75 - HG3   MET   96  10.99 +/- 2.91   3.715% *  0.1916% (0.23   0.02   0.02) =   0.020%
          QD2   LEU   71 - HG3   MET   96  13.41 +/- 2.10   1.729% *  0.3096% (0.37   0.02   0.02) =   0.015%
          QG2   ILE  119 - HG3   MET   96  14.31 +/- 2.72   1.294% *  0.1576% (0.19   0.02   0.02) =   0.006%
    Distance limit 3.89 A violated in 1 structures by 0.17 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   2.21 +/- 0.03 100.000% *100.0000% (0.80  10.0   3.36  10.68) = 100.000%  kept
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.7, residual support = 62.2:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  97.936% * 99.8692% (0.90  10.0   4.70  62.24) =  99.998%  kept
          HN    LEU  115 - HA    PHE   97  13.05 +/- 1.65   1.239% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  16.35 +/- 2.00   0.825% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 62.2:
      O T QD    PHE   97 - HB2   PHE   97   2.45 +/- 0.15  95.757% * 99.0297% (0.45  10.0 10.00   2.44  62.24) =  99.957%  kept
          HZ3   TRP   87 - HB2   PHE   97  19.03 +/- 9.06   4.243% *  0.9703% (0.38   1.0  1.00   0.23   0.02) =   0.043%
    Distance limit 3.63 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 = 7.76, residual support = 59.6:
          HN    ASP- 105 - HB2   PHE   97   2.21 +/- 0.48  99.686% * 99.8979% (0.95   7.76  59.63) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  20.95 +/- 6.02   0.314% *  0.1021% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.81, residual support = 62.2:
      O   HN    PHE   97 - HB2   PHE   97   2.91 +/- 0.57  97.055% * 99.8692% (0.90  10.0   4.81  62.24) =  99.998%  kept
          HN    LEU  115 - HB2   PHE   97  12.65 +/- 1.90   1.730% *  0.0999% (0.90   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB2   PHE   97  15.79 +/- 2.04   1.215% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.958, support = 3.54, residual support = 51.5:
        T HB3   ASP- 105 - HB2   PHE   97   3.28 +/- 0.93  51.870% * 52.6498% (0.99 10.00   3.82  59.63) =  83.468%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.77 +/- 0.66  11.171% * 42.5351% (0.80 10.00   2.16  11.23) =  14.523%  kept
          HB    ILE  103 - HB2   PHE   97   6.38 +/- 0.87  14.117% *  3.0431% (1.00  1.00   1.15   3.10) =   1.313%  kept
          HG12  ILE  103 - HB2   PHE   97   5.51 +/- 0.66  15.554% *  1.4468% (0.20  1.00   2.75   3.10) =   0.688%  kept
          QB    LYS+  81 - HB2   PHE   97  20.30 +/- 4.47   1.538% *  0.0444% (0.84  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HB2   PHE   97  17.81 +/- 4.31   0.918% *  0.0530% (1.00  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   PHE   97  16.49 +/- 2.35   0.682% *  0.0502% (0.95  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HB2   PHE   97  17.14 +/- 5.37   1.260% *  0.0218% (0.41  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HB2   PHE   97  20.85 +/- 3.13   0.376% *  0.0530% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   PHE   97  15.43 +/- 2.30   0.922% *  0.0199% (0.38  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   PHE   97  15.44 +/- 2.26   0.855% *  0.0132% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  20.25 +/- 3.73   0.517% *  0.0218% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  22.24 +/- 2.51   0.221% *  0.0476% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.304, support = 4.5, residual support = 14.8:
        T HB2   LEU  104 - HB2   PHE   97   3.20 +/- 0.70  42.268% * 80.2624% (0.31 10.00   4.68  16.72) =  86.519%  kept
          QG2   ILE  103 - HB2   PHE   97   3.58 +/- 0.75  33.923% * 12.3054% (0.25  1.00   3.80   3.10) =  10.646%  kept
          QD2   LEU   40 - HB2   PHE   97   7.14 +/- 3.65  16.132% *  6.8428% (0.38  1.00   1.40   1.30) =   2.815%  kept
          QD1   ILE  119 - HB2   PHE   97  11.76 +/- 3.18   1.632% *  0.1577% (0.61  1.00   0.02   0.44) =   0.007%
          QD1   LEU   67 - HB2   PHE   97  11.38 +/- 3.29   2.415% *  0.0887% (0.34  1.00   0.02   0.02) =   0.005%
          HB    VAL   75 - HB2   PHE   97  13.57 +/- 2.93   0.789% *  0.2460% (0.95  1.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - HB2   PHE   97   8.57 +/- 0.84   2.446% *  0.0515% (0.20  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HB2   PHE   97  18.12 +/- 3.53   0.395% *  0.0455% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.318, support = 1.94, residual support = 6.15:
        T QD2   LEU   40 - HB3   PHE   97   6.94 +/- 3.59  17.512% * 71.1437% (0.36 10.00   1.09   1.30) =  55.282%  kept
          HB2   LEU  104 - HB3   PHE   97   3.59 +/- 0.97  38.509% * 17.4005% (0.29  1.00   3.25  16.72) =  29.732%  kept
          QG2   ILE  103 - HB3   PHE   97   4.00 +/- 0.71  31.494% * 10.6705% (0.24  1.00   2.47   3.10) =  14.911%  kept
          QD1   ILE  119 - HB3   PHE   97  11.43 +/- 3.37   2.542% *  0.2102% (0.57  1.00   0.02   0.44) =   0.024%
          QD1   LEU   67 - HB3   PHE   97  10.96 +/- 3.30   4.358% *  0.1182% (0.32  1.00   0.02   0.02) =   0.023%
          HB    VAL   75 - HB3   PHE   97  13.17 +/- 2.94   0.915% *  0.3278% (0.89  1.00   0.02   0.02) =   0.013%
          QG2   VAL  108 - HB3   PHE   97   8.44 +/- 1.22   4.280% *  0.0686% (0.19  1.00   0.02   0.02) =   0.013%
          HG3   LYS+  74 - HB3   PHE   97  17.72 +/- 3.43   0.390% *  0.0607% (0.17  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 0.872, support = 2.73, residual support = 62.2:
      O T QD    PHE   97 - HB3   PHE   97   2.45 +/- 0.14  92.099% * 98.8885% (0.87  10.0 10.00   2.74  62.24) =  99.914%  kept
          HZ3   TRP   87 - HB3   PHE   97  18.78 +/- 9.07   7.218% *  1.0876% (0.82   1.0  1.00   0.23   0.02) =   0.086%
          HE3   TRP   49 - HB3   PHE   97  21.36 +/- 5.32   0.683% *  0.0238% (0.21   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 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.59, residual support = 59.6:
          HN    ASP- 105 - HB3   PHE   97   2.69 +/- 0.59  98.653% * 99.0942% (0.46   5.59  59.63) =  99.993%  kept
          HN    ALA   88 - HB3   PHE   97  20.61 +/- 5.97   0.772% *  0.6322% (0.82   0.02   0.02) =   0.005%
          HN    PHE   55 - HB3   PHE   97  18.67 +/- 3.15   0.576% *  0.2736% (0.36   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.16, residual support = 62.2:
      O   HN    PHE   97 - HB3   PHE   97   2.88 +/- 0.56  97.520% * 99.8692% (0.85  10.0   5.16  62.24) =  99.998%  kept
          HN    LEU  115 - HB3   PHE   97  12.31 +/- 2.55   1.675% *  0.0999% (0.85   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB3   PHE   97  15.48 +/- 2.65   0.805% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.753, support = 1.99, residual support = 48.1:
          HB3   ASP- 105 - HB3   PHE   97   3.45 +/- 0.40  60.500% * 45.9716% (0.72  1.00   2.24  59.63) =  77.206%  kept
          QB    LYS+ 106 - HB3   PHE   97   5.74 +/- 1.06  19.322% * 32.0267% (0.93  1.00   1.22  11.23) =  17.178%  kept
          HB    ILE  103 - HB3   PHE   97   6.83 +/- 0.84  11.490% * 17.2573% (0.65  1.00   0.94   3.10) =   5.504%  kept
          QB    LYS+  81 - HB3   PHE   97  20.07 +/- 4.31   1.709% *  0.5174% (0.91  1.00   0.02   0.02) =   0.025%
        T HB3   PRO   58 - HB3   PHE   97  17.67 +/- 2.61   0.657% *  1.1935% (0.21 10.00   0.02   0.02) =   0.022%
          HB    ILE   56 - HB3   PHE   97  14.91 +/- 2.70   1.116% *  0.4650% (0.82  1.00   0.02   0.02) =   0.014%
          HB3   GLN   30 - HB3   PHE   97  15.81 +/- 3.57   1.443% *  0.2820% (0.50  1.00   0.02   0.02) =   0.011%
          HB3   LYS+  38 - HB3   PHE   97  15.34 +/- 2.30   0.858% *  0.3893% (0.69  1.00   0.02   0.02) =   0.009%
          QB    LYS+  33 - HB3   PHE   97  16.45 +/- 2.22   0.713% *  0.4650% (0.82  1.00   0.02   0.02) =   0.009%
          HG3   PRO   68 - HB3   PHE   97  17.33 +/- 4.00   0.744% *  0.3468% (0.61  1.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HB3   PHE   97  20.31 +/- 3.10   0.499% *  0.3893% (0.69  1.00   0.02   0.02) =   0.005%
          HB3   GLN   90 - HB3   PHE   97  21.85 +/- 2.40   0.294% *  0.4949% (0.87  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HB3   PHE   97  16.67 +/- 1.31   0.654% *  0.2012% (0.36  1.00   0.02   0.02) =   0.004%
    Distance limit 4.10 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 = 0.329, support = 4.19, residual support = 28.2:
          HG12  ILE  103 - HA    LEU   98   3.29 +/- 0.89  59.092% * 56.0821% (0.25   4.95  31.78) =  81.546%  kept
          QB    LYS+ 102 - HA    LEU   98   5.39 +/- 0.44  19.088% * 19.9315% (0.98   0.45   2.22) =   9.362%  kept
          HB    VAL   41 - HA    LEU   98   7.75 +/- 3.16  18.020% * 20.3460% (0.38   1.19  22.81) =   9.022%  kept
          HB2   LEU   71 - HA    LEU   98  14.98 +/- 4.98   1.492% *  0.9068% (1.00   0.02   0.02) =   0.033%
          QB    LYS+  65 - HA    LEU   98  17.40 +/- 2.58   0.537% *  0.9088% (1.00   0.02   0.02) =   0.012%
          QB    LYS+  66 - HA    LEU   98  17.32 +/- 3.90   0.917% *  0.5145% (0.57   0.02   0.02) =   0.012%
          HG2   PRO   93 - HA    LEU   98  18.23 +/- 0.99   0.452% *  0.7591% (0.84   0.02   0.02) =   0.008%
          HB3   GLN   17 - HA    LEU   98  20.23 +/- 4.18   0.401% *  0.5512% (0.61   0.02   0.02) =   0.005%
    Distance limit 3.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.703, support = 2.9, residual support = 30.6:
          HA    ILE  103 - HA    LEU   98   2.11 +/- 1.06  77.172% * 76.2085% (0.73   2.96  31.78) =  94.900%  kept
          HA    LEU  104 - HA    LEU   98   5.03 +/- 0.67  16.292% * 19.2169% (0.28   1.95   9.41) =   5.052%  kept
          HA    ASP-  86 - HA    LEU   98  20.78 +/- 8.02   2.209% *  0.5154% (0.73   0.02   0.02) =   0.018%
          HA    ASP-  44 - HA    LEU   98  12.32 +/- 1.47   0.834% *  0.6366% (0.90   0.02   0.02) =   0.009%
          HA    SER   85 - HA    LEU   98  22.26 +/- 6.81   0.791% *  0.5929% (0.84   0.02   0.02) =   0.008%
          HB    THR   77 - HA    LEU   98  18.80 +/- 2.11   0.514% *  0.5929% (0.84   0.02   0.02) =   0.005%
          HA    THR   39 - HA    LEU   98  12.25 +/- 4.36   1.407% *  0.1974% (0.28   0.02   0.02) =   0.004%
          HA    GLU-  14 - HA    LEU   98  22.69 +/- 4.24   0.141% *  0.4592% (0.65   0.02   0.02) =   0.001%
          HA    GLU-  79 - HA    LEU   98  20.90 +/- 3.11   0.228% *  0.2421% (0.34   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    LEU   98  25.47 +/- 3.73   0.282% *  0.1405% (0.20   0.02   0.02) =   0.001%
          HA    ALA   12 - HA    LEU   98  26.61 +/- 4.76   0.073% *  0.5425% (0.76   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  28.56 +/- 4.87   0.057% *  0.6552% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.07, residual support = 5.71:
          HN    ASP- 105 - HA    LEU   98   4.48 +/- 0.54  96.175% * 99.8055% (0.95   4.07   5.71) =  99.992%  kept
          HN    ALA   88 - HA    LEU   98  21.22 +/- 7.23   3.825% *  0.1945% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.03 A violated in 2 structures by 0.50 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   2.29 +/- 0.11  96.395% * 99.7964% (0.80  10.0   4.26  17.73) =  99.997%  kept
          HE1   HIS  122 - HA    LEU   98  15.56 +/- 7.71   2.524% *  0.0905% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    LEU   98  13.99 +/- 3.80   0.895% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  23.09 +/- 4.34   0.186% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 3.55, residual support = 9.41:
          HN    LEU  104 - HA    LEU   98   2.75 +/- 0.78  98.479% * 99.6309% (0.92   3.55   9.41) =  99.994%  kept
          HN    PHE   72 - HA    LEU   98  14.12 +/- 4.08   1.521% *  0.3691% (0.61   0.02   0.02) =   0.006%
    Distance limit 3.49 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.03, residual support = 76.7:
      O   HN    LEU   98 - HA    LEU   98   2.92 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.03  76.74) = 100.000%  kept
    Distance limit 3.69 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 = 0.479, support = 3.2, residual support = 26.3:
        T HB    VAL   41 - QB    LEU   98   5.77 +/- 3.43  24.270% * 67.5539% (0.42 10.00   2.84  22.81) =  59.769%  kept
          HG12  ILE  103 - QB    LEU   98   2.39 +/- 0.67  54.632% * 18.0146% (0.56  1.00   4.01  31.78) =  35.878%  kept
          HB    ILE  103 - QB    LEU   98   4.24 +/- 0.48  15.261% *  7.0563% (0.60  1.00   1.48  31.78) =   3.926%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.44 +/- 0.93   1.778% *  3.8986% (0.27 10.00   0.18   0.02) =   0.253%  kept
          HB3   ASP- 105 - QB    LEU   98   7.72 +/- 0.62   1.886% *  2.2143% (0.53  1.00   0.53   5.71) =   0.152%  kept
        T QB    LYS+  33 - QB    LEU   98  12.53 +/- 3.00   0.757% *  0.6755% (0.42 10.00   0.02   0.02) =   0.019%
          HG    LEU  123 - QB    LEU   98  18.86 +/- 4.63   0.226% *  0.1245% (0.78  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QB    LEU   98  17.05 +/- 3.86   0.277% *  0.1008% (0.63  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QB    LEU   98  20.71 +/- 2.86   0.118% *  0.1245% (0.78  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  15.33 +/- 3.48   0.314% *  0.0428% (0.27  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  16.71 +/- 3.70   0.249% *  0.0473% (0.30  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  20.87 +/- 2.43   0.096% *  0.0898% (0.56  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  19.98 +/- 3.30   0.136% *  0.0571% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.267, support = 3.89, residual support = 17.7:
          HN    LYS+  99 - QB    LEU   98   3.25 +/- 0.33  89.244% * 97.3818% (0.27   3.89  17.73) =  99.909%  kept
          HN    ASN   35 - QB    LEU   98  11.77 +/- 3.65   3.864% *  1.3548% (0.72   0.02   0.02) =   0.060%
          HE1   HIS  122 - QB    LEU   98  14.48 +/- 6.58   4.982% *  0.4044% (0.22   0.02   0.02) =   0.023%
          HN    GLU-  14 - QB    LEU   98  20.23 +/- 3.98   1.415% *  0.2503% (0.13   0.02   0.02) =   0.004%
          HN    ALA   12 - QB    LEU   98  24.03 +/- 4.06   0.495% *  0.6087% (0.33   0.02   0.02) =   0.003%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 3.02, residual support = 22.8:
          HN    VAL   41 - QB    LEU   98   6.22 +/- 4.29 100.000% *100.0000% (0.85   3.02  22.81) = 100.000%  kept
    Distance limit 4.09 A violated in 5 structures by 2.41 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.88, residual support = 76.7:
      O   HN    LEU   98 - QB    LEU   98   2.79 +/- 0.26 100.000% *100.0000% (0.85  10.0   4.88  76.74) = 100.000%  kept
    Distance limit 3.40 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 = 76.7:
      O   HA    LEU   98 - HG    LEU   98   3.29 +/- 0.47 100.000% *100.0000% (0.69  10.0   4.04  76.74) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.72, residual support = 76.7:
          HN    LEU   98 - HG    LEU   98   3.51 +/- 0.88 100.000% *100.0000% (0.98   3.72  76.74) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.402, support = 3.42, residual support = 25.1:
        T HA    ILE  103 - QD1   LEU   98   3.09 +/- 0.66  74.248% * 26.4382% (0.25 10.00   4.13  31.78) =  70.445%  kept
        T HA    LEU  104 - QD1   LEU   98   6.28 +/- 0.53  11.461% * 70.7016% (0.76 10.00   1.75   9.41) =  29.078%  kept
          HA    ASP-  86 - QD1   LEU   98  16.23 +/- 7.39   5.169% *  2.4859% (1.00  1.00   0.47   0.02) =   0.461%  kept
          HA    ASP-  44 - QD1   LEU   98   9.90 +/- 1.92   4.261% *  0.0436% (0.41  1.00   0.02   0.02) =   0.007%
          HA    GLU-  14 - QD1   LEU   98  18.63 +/- 3.84   0.763% *  0.1058% (1.00  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - QD1   LEU   98  17.44 +/- 6.34   1.980% *  0.0362% (0.34  1.00   0.02   0.02) =   0.003%
          HB    THR   77 - QD1   LEU   98  14.74 +/- 2.36   1.513% *  0.0362% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ALA   12 - QD1   LEU   98  21.83 +/- 4.26   0.379% *  0.1051% (0.99  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   LEU   98  23.39 +/- 3.99   0.226% *  0.0475% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.715, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  12.12 +/- 4.30  29.630% * 33.8723% (0.84   0.02   0.02) =  38.546%  kept
          QD    PHE   59 - QD1   LEU   98  12.47 +/- 1.97  24.186% * 33.8723% (0.84   0.02   0.02) =  31.463%  kept
          HE21  GLN   30 - QD1   LEU   98  11.97 +/- 2.98  28.082% * 19.7390% (0.49   0.02   0.02) =  21.289%  kept
          HH2   TRP   49 - QD1   LEU   98  18.14 +/- 5.31  18.102% * 12.5164% (0.31   0.02   0.02) =   8.702%  kept
    Distance limit 3.65 A violated in 20 structures by 4.90 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.29, residual support = 18.8:
        T QD1   LEU  104 - HB2   LYS+  99   3.04 +/- 1.35  83.787% * 98.4796% (0.69 10.00   3.29  18.85) =  99.957%  kept
        T QD1   LEU   63 - HB2   LYS+  99  12.59 +/- 3.39   5.858% *  0.2212% (0.15 10.00   0.02   0.02) =   0.016%
        T QD1   LEU   73 - HB2   LYS+  99  13.39 +/- 3.68   4.828% *  0.2212% (0.15 10.00   0.02   0.02) =   0.013%
        T QG2   ILE   89 - HB2   LYS+  99  19.14 +/- 3.70   1.023% *  0.8117% (0.57 10.00   0.02   0.02) =   0.010%
          QD2   LEU  115 - HB2   LYS+  99  15.18 +/- 2.15   2.269% *  0.0589% (0.41  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   LYS+  99  18.41 +/- 4.53   0.925% *  0.1430% (1.00  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   LYS+  99  18.72 +/- 3.08   1.309% *  0.0643% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 1 structures by 0.26 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 2.2, residual support = 8.15:
        T QD2   LEU   40 - HB2   LYS+  99   7.02 +/- 5.59  42.934% * 91.1700% (0.95 10.00   2.24   8.53) =  95.163%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.32 +/- 1.07  23.353% *  6.8797% (1.00  1.00   1.43   0.70) =   3.906%  kept
          QD1   ILE  103 - HB2   LYS+  99   6.96 +/- 1.56  22.927% *  1.6374% (0.49  1.00   0.70   0.70) =   0.913%  kept
          QD1   LEU   67 - HB2   LYS+  99  12.49 +/- 4.69   5.084% *  0.0930% (0.97  1.00   0.02   0.02) =   0.011%
          QD2   LEU   71 - HB2   LYS+  99  12.82 +/- 4.30   2.583% *  0.0585% (0.61  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HB2   LYS+  99  20.48 +/- 4.46   0.690% *  0.0955% (0.99  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HB2   LYS+  99  15.80 +/- 4.17   1.394% *  0.0297% (0.31  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   LYS+  99  16.74 +/- 3.57   1.036% *  0.0362% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.79, residual support = 173.8:
      O   HN    LYS+  99 - HB2   LYS+  99   2.89 +/- 0.31  88.242% * 99.4797% (0.31  10.0   4.79 173.87) =  99.985%  kept
          HE1   HIS  122 - HB2   LYS+  99  15.67 +/- 8.38   9.207% *  0.0804% (0.25   1.0   0.02   0.02) =   0.008%
          HN    ASN   35 - HB2   LYS+  99  13.52 +/- 4.36   1.958% *  0.2692% (0.84   1.0   0.02   0.02) =   0.006%
          HN    ALA   12 - HB2   LYS+  99  26.45 +/- 5.87   0.216% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  22.26 +/- 5.56   0.377% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 173.9:
      O   HN    LYS+  99 - HA    LYS+  99   2.92 +/- 0.02  91.386% * 99.7964% (0.80  10.0   5.23 173.87) =  99.993%  kept
          HE1   HIS  122 - HA    LYS+  99  16.02 +/- 7.94   5.172% *  0.0905% (0.73   1.0   0.02   0.02) =   0.005%
          HN    ASN   35 - HA    LYS+  99  11.71 +/- 4.40   3.020% *  0.0425% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    LYS+  99  21.03 +/- 5.46   0.422% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 38.4:
      O   HN    GLU- 100 - HA    LYS+  99   2.23 +/- 0.07 100.000% *100.0000% (0.84  10.0   6.83  38.37) = 100.000%  kept
    Distance limit 3.03 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 = 0.839, support = 5.16, residual support = 183.6:
      O   QE    LYS+  99 - HG2   LYS+  99   2.73 +/- 0.57  44.850% * 79.1619% (0.99  10.0   5.31 173.87) =  79.314%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.70 +/- 0.50  44.950% * 20.5905% (0.26  10.0   4.59 221.19) =  20.676%  kept
          QE    LYS+  38 - HG2   LYS+  99  10.50 +/- 4.98   2.733% *  0.0756% (0.95   1.0   0.02   0.02) =   0.005%
          QE    LYS+ 102 - HG2   LYS+  99   9.09 +/- 1.25   1.830% *  0.0610% (0.76   1.0   0.02   1.55) =   0.002%
          HB3   TRP   27 - HG2   LYS+  99  16.63 +/- 5.62   1.396% *  0.0300% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   8.91 +/- 0.83   1.352% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          QE    LYS+  99 - HG2   LYS+  38  10.98 +/- 4.77   1.688% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HG2   LYS+  38  15.28 +/- 4.53   0.698% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  15.72 +/- 1.64   0.267% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.09 +/- 1.87   0.237% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 7.02, residual support = 173.4:
      O T HA    LYS+  99 - HG2   LYS+  99   2.83 +/- 0.44  51.287% * 98.1260% (0.84  10.0 10.00   7.04 173.87) =  99.731%  kept
          HA    LEU   40 - HG2   LYS+  99   8.20 +/- 6.63  13.209% *  0.9071% (0.57   1.0  1.00   0.27   8.53) =   0.237%  kept
          HA    ASN   35 - HG2   LYS+  38   4.91 +/- 1.87  23.782% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.014%
        T HA    LYS+  99 - HG2   LYS+  38  11.33 +/- 4.73   1.586% *  0.2674% (0.23   1.0 10.00   0.02   0.02) =   0.008%
          HA    ASN   35 - HG2   LYS+  99  11.95 +/- 5.44   1.954% *  0.1111% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG2   LYS+  99  20.74 +/- 8.67   0.510% *  0.1172% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   LYS+  38   8.04 +/- 0.52   2.558% *  0.0181% (0.15   1.0  1.00   0.02   0.82) =   0.001%
          HA    GLU-  15 - HG2   LYS+  38  14.41 +/- 3.73   3.104% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   LYS+  99  18.66 +/- 6.58   0.330% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  23.42 +/- 2.50   0.104% *  0.1134% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  21.02 +/- 6.96   0.357% *  0.0319% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.63 +/- 2.16   0.118% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  22.41 +/- 6.28   0.149% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.18 +/- 3.41   0.111% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  25.42 +/- 3.66   0.154% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  17.58 +/- 2.98   0.316% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  23.39 +/- 3.94   0.246% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  27.04 +/- 4.23   0.124% *  0.0156% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.0936, support = 4.9, residual support = 18.5:
          HA    SER   37 - HA    LYS+  38   5.09 +/- 0.26  30.280% * 42.9172% (0.05  1.00   5.54  21.02) =  87.830%  kept
          HA    LEU   40 - HA    LYS+  38   6.20 +/- 0.39  17.776% *  4.5794% (0.05  1.00   0.56   0.82) =   5.502%  kept
          HA    LEU   40 - HA    GLU- 100   9.30 +/- 6.62  20.046% *  2.6871% (0.80  1.00   0.02   0.02) =   3.641%  kept
          HA    SER   37 - HA    GLU- 100  12.44 +/- 6.68   6.902% *  2.5646% (0.76  1.00   0.02   0.02) =   1.196%  kept
        T HA    PRO   58 - HA    GLU- 100  24.90 +/- 3.18   0.283% * 30.9775% (0.92 10.00   0.02   0.02) =   0.592%  kept
          HA    GLU-  15 - HA    GLU- 100  18.96 +/- 6.79   1.339% *  3.1744% (0.95  1.00   0.02   0.02) =   0.287%  kept
          HA    GLN   17 - HA    GLU- 100  19.87 +/- 6.84   1.550% *  2.5646% (0.76  1.00   0.02   0.02) =   0.269%  kept
          HA    VAL   42 - HA    GLU- 100  12.35 +/- 3.37   3.108% *  0.7471% (0.22  1.00   0.02   0.02) =   0.157%  kept
          HA    SER   13 - HA    GLU- 100  22.39 +/- 6.42   0.722% *  3.1744% (0.95  1.00   0.02   0.02) =   0.155%  kept
        T HA    PRO   58 - HA    LYS+  38  21.84 +/- 3.57   0.956% *  1.8719% (0.06 10.00   0.02   0.02) =   0.121%  kept
          HA    GLU-  15 - HA    LYS+  38  13.83 +/- 3.83   7.219% *  0.1918% (0.06  1.00   0.02   0.02) =   0.094%
          HA    THR   46 - HA    GLU- 100  23.18 +/- 2.08   0.343% *  2.8030% (0.84  1.00   0.02   0.02) =   0.065%
          HA    LEU  123 - HA    GLU- 100  23.55 +/- 8.06   0.648% *  0.6641% (0.20  1.00   0.02   0.02) =   0.029%
          HA    GLN   17 - HA    LYS+  38  15.30 +/- 3.95   2.266% *  0.1550% (0.05  1.00   0.02   0.02) =   0.024%
          HA    SER   13 - HA    LYS+  38  17.37 +/- 3.01   1.005% *  0.1918% (0.06  1.00   0.02   0.02) =   0.013%
          HA    VAL   42 - HA    LYS+  38  11.60 +/- 1.13   2.957% *  0.0451% (0.01  1.00   0.02   0.02) =   0.009%
          HA    ILE   56 - HA    GLU- 100  25.35 +/- 2.23   0.255% *  0.4542% (0.14  1.00   0.02   0.02) =   0.008%
          HA    THR   46 - HA    LYS+  38  22.99 +/- 1.96   0.352% *  0.1694% (0.05  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HA    LYS+  38  19.68 +/- 6.70   1.381% *  0.0401% (0.01  1.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HA    LYS+  38  23.76 +/- 3.42   0.611% *  0.0274% (0.01  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.86 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.30 +/- 0.50  85.762% * 99.9940% (1.00  10.0   3.86  14.93) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38  11.12 +/- 6.49  14.238% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.37, residual support = 75.3:
      O   HN    GLU- 100 - HA    GLU- 100   2.26 +/- 0.12  86.428% * 99.9940% (0.84  10.0   6.37  75.33) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38   9.27 +/- 6.22  13.572% *  0.0060% (0.05   1.0   0.02   0.02) =   0.001%
    Distance limit 3.01 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 = 0.839, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  14.43 +/- 5.36  11.495% * 28.3278% (1.00 10.00   0.02   0.02) =  35.338%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.96 +/- 5.57   9.963% * 27.8286% (0.98 10.00   0.02   0.02) =  30.089%  kept
        T HA    GLN   32 - HB2   GLU- 100  13.76 +/- 5.67  17.401% *  8.7627% (0.31 10.00   0.02   0.02) =  16.547%  kept
        T HA    GLN  116 - HB2   GLU- 100  24.19 +/- 2.87   3.432% * 23.7140% (0.84 10.00   0.02   0.02) =   8.833%  kept
          HA    VAL   70 - HB2   GLU- 100  16.11 +/- 6.67  11.456% *  2.3714% (0.84  1.00   0.02   0.02) =   2.948%  kept
          HB2   SER   82 - HB2   GLU- 100  25.36 +/- 6.54   6.524% *  2.6208% (0.92  1.00   0.02   0.02) =   1.856%  kept
          HA    VAL   18 - HB2   GLU- 100  19.30 +/- 5.37   5.674% *  2.7399% (0.97  1.00   0.02   0.02) =   1.687%  kept
          HB2   SER   37 - HB2   GLU- 100  13.36 +/- 6.59  20.883% *  0.5618% (0.20  1.00   0.02   0.02) =   1.273%  kept
          HA    ALA   88 - HB2   GLU- 100  28.27 +/- 6.94   7.630% *  0.9684% (0.34  1.00   0.02   0.02) =   0.802%  kept
          HA    SER   48 - HB2   GLU- 100  28.81 +/- 3.32   2.715% *  1.6074% (0.57  1.00   0.02   0.02) =   0.474%  kept
          HD2   PRO   52 - HB2   GLU- 100  30.19 +/- 4.02   2.827% *  0.4972% (0.18  1.00   0.02   0.02) =   0.153%  kept
    Distance limit 3.48 A violated in 19 structures by 6.00 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.453, support = 5.0, residual support = 36.7:
          HG2   LYS+  99 - HG2   GLU- 100   3.70 +/- 1.45  50.943% * 91.9773% (0.45   5.22  38.37) =  95.550%  kept
          HG2   LYS+  38 - HG2   GLU- 100  10.14 +/- 7.46  35.535% *  6.0786% (0.57   0.27   0.02) =   4.405%  kept
          HB2   LEU   31 - HG2   GLU- 100  13.95 +/- 5.57  10.864% *  0.1377% (0.18   0.02   0.02) =   0.031%
          QG2   THR   23 - HG2   GLU- 100  19.26 +/- 5.91   1.972% *  0.1556% (0.20   0.02   0.02) =   0.006%
          QB    ALA   88 - HG2   GLU- 100  24.50 +/- 6.14   0.305% *  0.7051% (0.90   0.02   0.02) =   0.004%
          QG2   THR   77 - HG2   GLU- 100  20.13 +/- 2.03   0.249% *  0.7707% (0.98   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HG2   GLU- 100  26.22 +/- 3.91   0.132% *  0.1750% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.453, support = 3.9, residual support = 36.7:
          HG2   LYS+  99 - HG3   GLU- 100   3.42 +/- 1.58  60.189% * 90.4468% (0.45   4.06  38.37) =  95.718%  kept
          HG2   LYS+  38 - HG3   GLU- 100  10.57 +/- 7.39  34.083% *  7.0980% (0.57   0.25   0.02) =   4.254%  kept
          HB2   LEU   31 - HG3   GLU- 100  13.94 +/- 5.50   3.296% *  0.1739% (0.18   0.02   0.02) =   0.010%
          QB    ALA   88 - HG3   GLU- 100  24.32 +/- 6.14   0.418% *  0.8905% (0.90   0.02   0.02) =   0.007%
          QG2   THR   77 - HG3   GLU- 100  20.01 +/- 2.27   0.357% *  0.9732% (0.98   0.02   0.02) =   0.006%
          QG2   THR   23 - HG3   GLU- 100  19.28 +/- 5.66   1.489% *  0.1965% (0.20   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HG3   GLU- 100  26.02 +/- 3.71   0.168% *  0.2211% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.43 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 = 0.997, support = 4.44, residual support = 75.2:
      O   HA    GLU- 100 - HG3   GLU- 100   3.19 +/- 0.66  74.000% * 99.3820% (1.00  10.0   4.44  75.33) =  99.870%  kept
          HA    LYS+  38 - HG3   GLU- 100   9.99 +/- 7.23  25.265% *  0.3750% (0.20   1.0   0.38   0.02) =   0.129%  kept
          HA    VAL   83 - HG3   GLU- 100  24.91 +/- 7.10   0.396% *  0.0996% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  26.90 +/- 2.71   0.168% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.10 +/- 3.24   0.171% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 75.3:
          HN    GLU- 100 - HG3   GLU- 100   3.58 +/- 0.64 100.000% *100.0000% (0.97   4.22  75.33) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.43, residual support = 75.3:
          HN    GLU- 100 - HG2   GLU- 100   3.42 +/- 0.90 100.000% *100.0000% (0.84   6.43  75.33) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.77, residual support = 159.8:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.55 +/- 0.24  85.825% * 99.6342% (1.00  10.0   4.77 159.85) =  99.992%  kept
          HN    LYS+ 102 - HB    VAL   41  10.26 +/- 4.00   4.462% *  0.0448% (0.45   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - QB    LYS+ 102  13.13 +/- 4.69   3.175% *  0.0606% (0.61   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HB    VAL   41   8.26 +/- 0.74   3.070% *  0.0272% (0.27   1.0   0.02   0.27) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  14.99 +/- 4.56   0.833% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB    VAL   41  11.29 +/- 1.72   1.445% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  20.31 +/- 6.61   0.516% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  18.90 +/- 5.63   0.675% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 23.0:
          HN    ILE  103 - QB    LYS+ 102   3.02 +/- 0.50  91.776% * 98.9469% (1.00   5.46  23.01) =  99.987%  kept
          HN    ILE  103 - HB    VAL   41  10.53 +/- 3.02   4.831% *  0.1629% (0.45   0.02   0.02) =   0.009%
          HN    GLN   90 - QB    LYS+ 102  22.70 +/- 4.00   0.326% *  0.3429% (0.95   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  17.80 +/- 0.79   0.513% *  0.1907% (0.53   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  20.89 +/- 3.67   0.598% *  0.1541% (0.43   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  17.37 +/- 2.08   0.735% *  0.0857% (0.24   0.02   0.02) =   0.001%
          HN    SER   82 - QB    LYS+ 102  22.02 +/- 4.66   0.409% *  0.0807% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  19.44 +/- 3.97   0.811% *  0.0363% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 4.52, residual support = 159.2:
          HN    LYS+ 102 - HG2   LYS+ 102   3.54 +/- 0.49  84.429% * 95.4278% (0.73   4.53 159.85) =  99.583%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.35 +/- 1.38   8.058% *  4.0509% (0.38   0.37   0.02) =   0.403%  kept
          HN    THR   39 - HG2   LYS+ 102  15.31 +/- 5.79   5.298% *  0.1015% (0.18   0.02   0.02) =   0.007%
          HN    GLU-  36 - HG2   LYS+ 102  17.13 +/- 5.57   1.588% *  0.3050% (0.53   0.02   0.02) =   0.006%
          HD1   TRP   87 - HG2   LYS+ 102  23.27 +/- 7.24   0.628% *  0.1147% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 0.62, support = 0.02, residual support = 0.023:
        T QB    SER   48 - HA    ILE  103  20.63 +/- 3.60   3.986% * 19.2979% (0.87 10.00   0.02   0.02) =  19.926%  kept
        T QB    SER   85 - HA    ILE  103  20.11 +/- 6.13   3.801% * 19.9520% (0.90 10.00   0.02   0.02) =  19.648%  kept
        T QB    SER  117 - HA    ILE  103  14.78 +/- 2.57   8.531% *  7.5887% (0.34 10.00   0.02   0.02) =  16.771%  kept
        T HA2   GLY   51 - HA    ILE  103  25.83 +/- 4.09   2.069% * 13.4936% (0.61 10.00   0.02   0.02) =   7.232%  kept
        T HD2   PRO   52 - HA    ILE  103  23.40 +/- 4.21   3.314% *  5.5474% (0.25 10.00   0.02   0.02) =   4.762%  kept
        T QB    SER  117 - HA    THR   39  17.97 +/- 4.33   7.201% *  2.5072% (0.11 10.00   0.02   0.02) =   4.677%  kept
          HB    THR   94 - HA    ILE  103  13.40 +/- 0.91   9.128% *  1.7002% (0.76  1.00   0.02   0.02) =   4.020%  kept
          HA    LYS+ 121 - HA    ILE  103  17.31 +/- 6.70   9.186% *  1.5282% (0.69  1.00   0.02   0.02) =   3.637%  kept
          HA2   GLY   16 - HA    ILE  103  21.65 +/- 5.59   5.926% *  1.9952% (0.90  1.00   0.02   0.02) =   3.063%  kept
        T QB    SER   48 - HA    THR   39  23.87 +/- 2.74   1.703% *  6.3756% (0.29 10.00   0.02   0.02) =   2.813%  kept
          HA2   GLY   16 - HA    THR   39  13.00 +/- 5.94  16.467% *  0.6592% (0.30  1.00   0.02   0.13) =   2.812%  kept
        T QB    SER   85 - HA    THR   39  25.74 +/- 4.61   1.451% *  6.5917% (0.30 10.00   0.02   0.02) =   2.478%  kept
          HA    ALA  120 - HA    ILE  103  19.21 +/- 5.06   4.083% *  2.2050% (0.99  1.00   0.02   0.02) =   2.332%  kept
          HA    LYS+  65 - HA    ILE  103  20.06 +/- 2.96   3.183% *  1.8582% (0.84  1.00   0.02   0.02) =   1.532%  kept
        T HA2   GLY   51 - HA    THR   39  29.30 +/- 2.21   0.886% *  4.4580% (0.20 10.00   0.02   0.02) =   1.023%  kept
          HA    LYS+  65 - HA    THR   39  16.37 +/- 2.15   5.942% *  0.6139% (0.28  1.00   0.02   0.02) =   0.945%  kept
          HA    ALA  120 - HA    THR   39  18.64 +/- 5.44   3.840% *  0.7285% (0.33  1.00   0.02   0.02) =   0.725%  kept
          HA    LYS+ 121 - HA    THR   39  17.11 +/- 5.84   5.502% *  0.5049% (0.23  1.00   0.02   0.02) =   0.720%  kept
        T HD2   PRO   52 - HA    THR   39  28.08 +/- 2.48   1.012% *  1.8327% (0.08 10.00   0.02   0.02) =   0.481%  kept
          HB    THR   94 - HA    THR   39  19.99 +/- 1.27   2.788% *  0.5617% (0.25  1.00   0.02   0.02) =   0.406%  kept
    Distance limit 3.21 A violated in 20 structures by 5.41 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.65, residual support = 38.4:
      O   HN    LEU  104 - HA    ILE  103   2.27 +/- 0.09  96.909% * 99.8797% (0.92  10.0   6.65  38.45) =  99.999%  kept
          HN    PHE   72 - HA    THR   39   9.79 +/- 2.17   1.997% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  15.33 +/- 3.89   0.425% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  13.43 +/- 3.41   0.670% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 3.92, residual support = 37.6:
      O   HN    THR   39 - HA    THR   39   2.82 +/- 0.09  71.406% * 71.8824% (0.33  10.0   3.93  38.68) =  93.213%  kept
          HN    LYS+ 102 - HA    ILE  103   4.94 +/- 0.28  13.881% * 26.6357% (0.65   1.0   3.75  23.01) =   6.714%  kept
          HN    GLU-  36 - HA    THR   39   8.10 +/- 1.40   6.520% *  0.4976% (0.28   1.0   0.16   1.33) =   0.059%
          HN    THR   39 - HA    ILE  103  13.91 +/- 3.71   0.958% *  0.2176% (0.99   1.0   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HA    THR   39  12.55 +/- 6.05   3.754% *  0.0469% (0.21   1.0   0.02   0.02) =   0.003%
          HD1   TRP   87 - HA    ILE  103  19.16 +/- 6.77   0.587% *  0.2190% (1.00   1.0   0.02   3.29) =   0.002%
          HN    GLU-  36 - HA    ILE  103  16.53 +/- 3.28   0.484% *  0.1834% (0.84   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HA    ILE  103  18.22 +/- 5.29   0.763% *  0.1069% (0.49   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    THR   39  16.76 +/- 2.61   0.473% *  0.0353% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.02 +/- 2.08   0.309% *  0.0339% (0.15   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  25.86 +/- 5.54   0.141% *  0.0724% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.83 +/- 2.94   0.222% *  0.0434% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.06 +/- 2.44   0.411% *  0.0112% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.85 +/- 2.89   0.092% *  0.0144% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 4.13, residual support = 31.8:
        T QD1   LEU   98 - HA    ILE  103   3.09 +/- 0.66  81.557% * 99.6453% (0.41 10.00   4.13  31.78) =  99.984%  kept
          QG2   ILE   19 - HA    THR   39  10.86 +/- 2.84  11.296% *  0.0799% (0.33  1.00   0.02   0.02) =   0.011%
          QG2   ILE   19 - HA    ILE  103  15.44 +/- 3.24   0.954% *  0.2418% (1.00  1.00   0.02   0.02) =   0.003%
          QD1   LEU   98 - HA    THR   39  10.34 +/- 3.53   6.193% *  0.0329% (0.14  1.00   0.02   0.02) =   0.003%
    Distance limit 3.30 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.424, support = 2.68, residual support = 6.63:
          HN    ASP- 105 - QG2   ILE  103   2.34 +/- 0.42  91.890% * 28.7232% (0.38   2.58   3.98) =  86.061%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.41 +/- 0.24   6.038% * 70.7440% (0.73   3.29  23.01) =  13.928%  kept
          HN    GLU-  36 - QG2   ILE  103  15.73 +/- 2.13   0.428% *  0.3118% (0.53   0.02   0.02) =   0.004%
          HD1   TRP   87 - QG2   ILE  103  15.13 +/- 5.50   0.925% *  0.1173% (0.20   0.02   3.29) =   0.004%
          HN    THR   39 - QG2   ILE  103  13.51 +/- 2.10   0.719% *  0.1038% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.62, residual support = 38.4:
          HN    LEU  104 - QG2   ILE  103   2.43 +/- 0.31  99.255% * 99.9410% (0.90   6.62  38.45) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.83 +/- 2.42   0.745% *  0.0590% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 138.6:
      O   HN    ILE  103 - HB    ILE  103   2.20 +/- 0.18  99.255% * 99.8308% (1.00  10.0   6.74 138.60) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  20.80 +/- 4.41   0.222% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.08 +/- 0.85   0.348% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  21.40 +/- 5.19   0.175% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.217, support = 5.94, residual support = 134.4:
      O T HA    ILE  103 - HG12  ILE  103   2.38 +/- 0.31  92.080% * 56.2208% (0.20  10.0 10.00   5.98 138.60) =  95.768%  kept
          HA    LEU  104 - HG12  ILE  103   6.32 +/- 0.26   5.342% * 42.7582% (0.61   1.0  1.00   4.96  38.45) =   4.225%  kept
          HA    ASP-  86 - HG12  ILE  103  19.34 +/- 8.23   0.672% *  0.2250% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP-  44 - HG12  ILE  103  11.64 +/- 1.83   0.958% *  0.0927% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - HG12  ILE  103  24.11 +/- 4.12   0.174% *  0.2250% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HG12  ILE  103  20.74 +/- 7.18   0.346% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  17.79 +/- 2.22   0.283% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.05 +/- 4.51   0.088% *  0.2235% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  29.94 +/- 4.21   0.057% *  0.1011% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.93, residual support = 138.6:
          HN    ILE  103 - HG12  ILE  103   3.45 +/- 0.49  96.574% * 99.5130% (0.80   6.93 138.60) =  99.994%  kept
          HN    GLN   90 - HG12  ILE  103  19.76 +/- 4.40   1.056% *  0.2718% (0.76   0.02   0.02) =   0.003%
          HN    GLY  109 - HG12  ILE  103  14.66 +/- 0.95   1.542% *  0.1512% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  19.99 +/- 5.05   0.828% *  0.0640% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.6:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  97.613% * 99.2748% (0.58  10.0 10.00   4.30 138.60) =  99.998%  kept
          QG2   THR   94 - HG12  ILE  103   8.52 +/- 1.11   0.977% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   71 - HG12  ILE  103  16.89 +/- 3.89   0.154% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.06 +/- 1.30   0.686% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  19.76 +/- 3.38   0.229% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  20.22 +/- 4.34   0.340% *  0.0513% (0.30   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 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.605, support = 5.04, residual support = 138.6:
      O T QG2   ILE  103 - HG12  ILE  103   2.71 +/- 0.31  33.649% * 66.7776% (0.80  10.0 10.00   5.42 138.60) =  52.493%  kept
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.02  62.415% * 32.5765% (0.39  10.0 10.00   4.62 138.60) =  47.500%  kept
          QD2   LEU   40 - HG12  ILE  103   8.81 +/- 3.69   2.301% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU   71 - HG12  ILE  103  13.97 +/- 2.56   0.312% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - HG12  ILE  103  13.21 +/- 3.14   0.511% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  103  18.44 +/- 3.63   0.244% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.85 +/- 3.24   0.326% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.82 +/- 3.36   0.244% *  0.0207% (0.25   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 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.63, residual support = 31.8:
          QD1   LEU   98 - HG12  ILE  103   2.52 +/- 0.74  98.836% * 99.7444% (0.72   5.63  31.78) =  99.997%  kept
          QG2   ILE   19 - HG12  ILE  103  15.19 +/- 3.09   1.164% *  0.2556% (0.52   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 4.06, residual support = 138.6:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.02  60.005% * 82.5087% (0.84  10.0   3.97 138.60) =  87.907%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.60 +/- 0.45  39.369% * 17.2996% (0.18  10.0   4.77 138.60) =  12.093%  kept
          QG2   ILE  119 - HG13  ILE  103  16.14 +/- 3.46   0.208% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  103  14.79 +/- 2.55   0.255% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  18.91 +/- 3.59   0.163% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 2.33, residual support = 31.8:
          QD1   LEU   98 - HG13  ILE  103   3.05 +/- 0.49  98.930% * 99.3839% (0.90   2.33  31.78) =  99.993%  kept
          QG2   ILE   19 - HG13  ILE  103  15.82 +/- 3.04   1.070% *  0.6161% (0.65   0.02   0.02) =   0.007%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.67, support = 0.02, residual support = 0.02:
          HH2   TRP   49 - QD1   ILE  103  17.41 +/- 5.62  20.259% * 34.7918% (0.89   0.02   0.02) =  29.604%  kept
          HE21  GLN   30 - QD1   ILE  103  14.11 +/- 3.25  22.028% * 30.1124% (0.77   0.02   0.02) =  27.860%  kept
          QD    PHE   59 - QD1   ILE  103  12.58 +/- 2.07  29.220% * 17.5479% (0.45   0.02   0.02) =  21.536%  kept
          HD1   TRP   27 - QD1   ILE  103  13.56 +/- 4.53  28.492% * 17.5479% (0.45   0.02   0.02) =  20.999%  kept
    Distance limit 4.12 A violated in 18 structures by 5.28 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.596, support = 0.02, residual support = 1.46:
          HE3   TRP   87 - QD1   ILE  103  14.08 +/- 8.07  27.637% * 16.9137% (0.52   0.02   3.29) =  27.634%  kept
          HD21  ASN   69 - QD1   ILE  103  16.16 +/- 3.61  18.471% * 20.5212% (0.63   0.02   0.02) =  22.408%  kept
          HN    GLN   17 - QD1   ILE  103  18.07 +/- 3.92  13.933% * 25.9142% (0.80   0.02   0.02) =  21.345%  kept
          HN    TRP   87 - QD1   ILE  103  15.04 +/- 6.03  12.700% * 21.6935% (0.67   0.02   3.29) =  16.287%  kept
          HN    ALA   61 - QD1   ILE  103  15.34 +/- 1.78  16.439% *  8.3063% (0.26   0.02   0.02) =   8.072%  kept
          HN    ALA   91 - QD1   ILE  103  15.75 +/- 2.85  10.819% *  6.6512% (0.21   0.02   0.02) =   4.254%  kept
    Distance limit 3.76 A violated in 16 structures by 5.12 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 138.6:
          HN    ILE  103 - QD1   ILE  103   2.92 +/- 0.94  94.747% * 99.4072% (0.92   5.68 138.60) =  99.989%  kept
          HN    GLY  109 - QD1   ILE  103  12.16 +/- 1.29   2.885% *  0.1840% (0.49   0.02   0.02) =   0.006%
          HN    GLN   90 - QD1   ILE  103  16.13 +/- 3.62   1.175% *  0.3309% (0.87   0.02   0.02) =   0.004%
          HN    SER   82 - QD1   ILE  103  16.43 +/- 4.34   1.193% *  0.0779% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 5.39, residual support = 137.7:
      O   HA    ILE  103 - HG13  ILE  103   3.22 +/- 0.40  81.372% * 92.0154% (0.73  10.0   5.40 138.60) =  99.110%  kept
          HA    LEU  104 - HG13  ILE  103   6.78 +/- 0.30   9.268% *  7.1679% (0.28   1.0   4.07  38.45) =   0.879%  kept
          HA    ASP-  44 - HG13  ILE  103  11.82 +/- 2.04   2.860% *  0.1136% (0.90   1.0   0.02   0.02) =   0.004%
          HA    ASP-  86 - HG13  ILE  103  19.02 +/- 8.35   1.419% *  0.0920% (0.73   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HG13  ILE  103  20.32 +/- 7.42   0.963% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HG13  ILE  103  17.75 +/- 2.46   0.659% *  0.1058% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG13  ILE  103  24.84 +/- 4.19   0.619% *  0.0820% (0.65   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HG13  ILE  103  15.03 +/- 3.73   1.435% *  0.0352% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HG13  ILE  103  28.75 +/- 4.46   0.279% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  20.17 +/- 3.59   0.526% *  0.0432% (0.34   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  30.62 +/- 4.18   0.155% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.52 +/- 4.48   0.445% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 138.6:
          HN    ILE  103 - HG13  ILE  103   3.55 +/- 0.57  95.590% * 99.4594% (1.00   6.24 138.60) =  99.991%  kept
          HN    GLN   90 - HG13  ILE  103  19.31 +/- 4.73   1.401% *  0.3017% (0.95   0.02   0.02) =   0.004%
          HN    GLY  109 - HG13  ILE  103  14.25 +/- 1.28   2.034% *  0.1678% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  19.84 +/- 5.26   0.974% *  0.0710% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.44, residual support = 138.6:
          HN    ILE  103 - QG2   ILE  103   3.57 +/- 0.13  93.619% * 99.2485% (0.69   6.44 138.60) =  99.979%  kept
          HN    GLY  109 - QG2   ILE  103  11.01 +/- 0.62   3.402% *  0.4331% (0.97   0.02   0.02) =   0.016%
          HN    GLN   90 - QG2   ILE  103  16.58 +/- 3.39   1.605% *  0.2184% (0.49   0.02   0.02) =   0.004%
          HE1   HIS   22 - QG2   ILE  103  20.70 +/- 4.39   1.375% *  0.0999% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 23.0:
          HA    LYS+ 102 - HB    ILE  103   4.48 +/- 0.29  96.738% * 98.7654% (0.38   4.78  23.01) =  99.980%  kept
          HA    ALA   20 - HB    ILE  103  20.78 +/- 3.81   1.562% *  1.0167% (0.92   0.02   0.02) =   0.017%
          HA    LEU   71 - HB    ILE  103  18.52 +/- 3.45   1.701% *  0.2180% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.20 A violated in 0 structures by 0.29 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   3.20 +/- 0.70  65.791% * 96.1685% (0.82 10.00   4.68  16.72) =  99.516%  kept
          QE    LYS+ 106 - HB2   LEU  104   8.04 +/- 1.02   8.105% *  3.6385% (0.78  1.00   0.80   0.02) =   0.464%  kept
          HB3   TRP   27 - HB2   LEU  104  16.89 +/- 5.95   8.188% *  0.0938% (0.80  1.00   0.02   0.79) =   0.012%
          QE    LYS+  99 - HB2   LEU  104   6.25 +/- 1.11  16.202% *  0.0253% (0.22  1.00   0.02  18.85) =   0.006%
          HB3   PHE   60 - HB2   LEU  104  14.98 +/- 3.31   1.713% *  0.0738% (0.63  1.00   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.48, residual support = 36.0:
          HN    ASP- 105 - HB2   LEU  104   2.86 +/- 0.34  99.660% * 99.8776% (0.82   6.48  35.97) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  23.19 +/- 6.02   0.340% *  0.1224% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 216.8:
      O   HN    LEU  104 - HB2   LEU  104   2.55 +/- 0.29  99.325% * 99.7579% (0.36  10.0   7.38 216.83) =  99.998%  kept
          HN    PHE   72 - HB2   LEU  104  15.02 +/- 4.11   0.675% *  0.2421% (0.87   1.0   0.02   0.02) =   0.002%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.87, residual support = 216.8:
      O   HN    LEU  104 - HB3   LEU  104   3.55 +/- 0.13  98.383% * 99.9343% (0.71  10.0   6.87 216.83) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  16.32 +/- 4.39   1.617% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 4.03 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 = 7.43, residual support = 216.8:
          HN    LEU  104 - HG    LEU  104   3.40 +/- 0.71  98.105% * 99.8235% (0.92   7.43 216.83) =  99.997%  kept
          HN    PHE   72 - HG    LEU  104  15.78 +/- 4.55   1.895% *  0.1765% (0.61   0.02   0.02) =   0.003%
    Distance limit 3.53 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.72, residual support = 18.7:
          HN    LYS+  99 - HG    LEU  104   4.39 +/- 1.57  67.035% * 96.8061% (0.98   1.73  18.85) =  99.463%  kept
          HE1   HIS  122 - HG    LEU  104  14.96 +/- 8.76  28.552% *  1.1375% (1.00   0.02   0.02) =   0.498%  kept
          HN    GLN   30 - HG    LEU  104  17.88 +/- 5.10   2.660% *  0.5111% (0.45   0.02   0.02) =   0.021%
          HN    GLU-  14 - HG    LEU  104  23.80 +/- 4.65   0.612% *  1.1175% (0.98   0.02   0.02) =   0.010%
          HN    ASP-  86 - HG    LEU  104  23.84 +/- 6.02   1.140% *  0.4279% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.18 A violated in 3 structures by 0.41 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.379, support = 6.64, residual support = 202.7:
          HN    LEU  104 - QD1   LEU  104   3.79 +/- 0.60  60.421% * 73.7087% (0.40   6.87 216.83) =  91.993%  kept
          HN    PHE   72 - QD1   LEU   73   6.64 +/- 0.76  15.162% * 21.7509% (0.18   4.54  44.40) =   6.812%  kept
          HN    PHE   72 - QD1   LEU   63   7.46 +/- 1.35  14.237% *  3.9406% (0.18   0.82  16.55) =   1.159%  kept
          HN    PHE   72 - QD1   LEU  104  13.10 +/- 3.89   2.754% *  0.5208% (0.96   0.02   0.02) =   0.030%
          HN    LEU  104 - QD1   LEU   63  11.54 +/- 2.95   4.340% *  0.0395% (0.07   0.02   0.02) =   0.004%
          HN    LEU  104 - QD1   LEU   73  12.95 +/- 3.73   3.087% *  0.0395% (0.07   0.02   0.02) =   0.003%
    Distance limit 4.02 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.27, residual support = 18.8:
        T HB2   LYS+  99 - QD1   LEU  104   3.04 +/- 1.35  58.097% * 96.7475% (0.40 10.00   3.29  18.85) =  99.630%  kept
        T HB    VAL   43 - QD1   LEU  104  10.67 +/- 2.08  12.918% *  1.2381% (0.51 10.00   0.02   0.02) =   0.284%  kept
          HB    VAL   43 - QD1   LEU   73   7.38 +/- 2.87   9.339% *  0.3969% (0.09  1.00   0.35   6.40) =   0.066%
        T HB    ILE   89 - QD1   LEU  104  19.25 +/- 3.60   0.305% *  1.0551% (0.43 10.00   0.02   0.02) =   0.006%
          HB    VAL   43 - QD1   LEU   63   8.77 +/- 2.90  12.528% *  0.0228% (0.09  1.00   0.02   0.02) =   0.005%
        T HB2   LYS+  99 - QD1   LEU   73  13.39 +/- 3.68   1.204% *  0.1782% (0.07 10.00   0.02   0.02) =   0.004%
        T HB2   LYS+  99 - QD1   LEU   63  12.59 +/- 3.39   1.183% *  0.1782% (0.07 10.00   0.02   0.02) =   0.004%
          QD    LYS+  81 - QD1   LEU  104  20.29 +/- 4.08   0.638% *  0.1055% (0.43  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU   73  14.56 +/- 3.13   1.480% *  0.0194% (0.08  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QD1   LEU   63  15.91 +/- 3.65   0.978% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  15.00 +/- 2.93   0.726% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.40 +/- 3.86   0.604% *  0.0194% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.876, support = 2.42, residual support = 19.4:
          HB2   LYS+  99 - QD2   LEU  104   2.71 +/- 1.76  61.574% * 82.5809% (0.90  1.00   2.40  18.85) =  97.048%  kept
          HB3   GLN   17 - QG2   VAL   18   5.23 +/- 0.95  19.362% *  6.0825% (0.04  1.00   4.14  49.73) =   2.248%  kept
        T HB    VAL   43 - QD2   LEU  104   9.48 +/- 1.73   3.516% *  7.4066% (0.97 10.00   0.02   0.02) =   0.497%  kept
          HB2   LYS+  99 - QG1   VAL   41   7.64 +/- 3.26   5.409% *  1.2313% (0.05  1.00   0.67   0.02) =   0.127%  kept
        T HB    VAL   43 - QG1   VAL   41   7.68 +/- 1.04   5.425% *  0.3978% (0.05 10.00   0.02   1.34) =   0.041%
        T HB    VAL   43 - QG2   VAL   18  12.51 +/- 4.57   1.358% *  1.1381% (0.15 10.00   0.02   0.02) =   0.029%
          QD    LYS+  81 - QD2   LEU  104  19.31 +/- 4.03   0.343% *  0.7085% (0.92  1.00   0.02   0.02) =   0.005%
          HB2   LYS+  99 - QG2   VAL   18  15.72 +/- 4.59   1.005% *  0.1058% (0.14  1.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QD2   LEU  104  16.82 +/- 3.60   0.417% *  0.1914% (0.25  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QG2   VAL   18  18.48 +/- 6.45   0.308% *  0.1089% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   41  17.78 +/- 3.50   0.275% *  0.0381% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.06 +/- 3.69   1.008% *  0.0103% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.726, support = 3.42, residual support = 41.7:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  88.451% * 76.3215% (0.72  10.0 10.00   3.40  41.97) =  98.604%  kept
          QB    LYS+ 106 - HB2   ASP- 105   4.93 +/- 0.40   4.200% * 22.5888% (0.93   1.0  1.00   4.62  23.85) =   1.386%  kept
          QB    LYS+  81 - HB2   ASP- 105  21.34 +/- 5.12   5.227% *  0.0964% (0.91   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE  103 - HB2   ASP- 105   7.95 +/- 0.53   1.001% *  0.0686% (0.65   1.0  1.00   0.02   3.98) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  16.63 +/- 0.98   0.107% *  0.3748% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   ASP- 105  14.48 +/- 2.21   0.212% *  0.0866% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  20.21 +/- 3.61   0.182% *  0.0725% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  19.38 +/- 4.40   0.109% *  0.0646% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.16 +/- 2.31   0.080% *  0.0866% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.31 +/- 2.40   0.087% *  0.0725% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.80 +/- 3.67   0.119% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  22.21 +/- 2.30   0.049% *  0.0922% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.68 +/- 2.91   0.175% *  0.0222% (0.21   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.64, residual support = 4.26:
        T QG2   THR  118 - HB2   ASP- 105   7.02 +/- 5.17 100.000% *100.0000% (0.54 10.00   1.64   4.26) = 100.000%  kept
    Distance limit 3.38 A violated in 10 structures by 3.94 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.64, residual support = 4.26:
        T QG2   THR  118 - HB3   ASP- 105   7.33 +/- 5.20 100.000% *100.0000% (0.57 10.00   1.64   4.26) = 100.000%  kept
    Distance limit 3.60 A violated in 10 structures by 3.93 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.882, support = 4.7, residual support = 50.2:
          HB2   PHE   97 - HB2   ASP- 105   3.92 +/- 0.95  61.876% * 56.0502% (0.89   4.94  59.63) =  73.762%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.17 +/- 1.11  28.335% * 43.4939% (0.85   4.04  23.85) =  26.211%  kept
          HB3   TRP   27 - HB2   ASP- 105  18.49 +/- 5.06   2.553% *  0.2216% (0.87   0.02   0.02) =   0.012%
          HB3   PHE   60 - HB2   ASP- 105  13.32 +/- 2.70   2.355% *  0.1743% (0.69   0.02   0.02) =   0.009%
          QE    LYS+  99 - HB2   ASP- 105   9.91 +/- 1.45   4.882% *  0.0599% (0.24   0.02   0.52) =   0.006%
    Distance limit 4.06 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.79, residual support = 54.4:
        T HB2   PHE   97 - HB3   ASP- 105   3.28 +/- 0.93  65.216% * 67.7091% (0.87 10.00   3.82  59.63) =  85.374%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.65 +/- 1.30  23.559% * 32.0903% (0.41 10.00   3.63  23.85) =  14.617%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.95 +/- 1.11   4.075% *  0.0567% (0.73  1.00   0.02   0.52) =   0.004%
          HB3   TRP   27 - HB3   ASP- 105  18.14 +/- 5.17   2.074% *  0.0700% (0.90  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 102 - HB3   ASP- 105  10.43 +/- 1.40   2.840% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HB3   ASP- 105  15.82 +/- 2.35   0.835% *  0.0350% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  13.69 +/- 2.88   1.401% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 42.0:
      O T HA    ASP- 105 - HB3   ASP- 105   2.93 +/- 0.09  94.512% * 99.8608% (0.87  10.0 10.00   3.24  41.97) =  99.998%  kept
          HB    THR   23 - HB3   ASP- 105  24.07 +/- 6.55   1.402% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - HB3   ASP- 105  22.76 +/- 6.71   3.297% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   80 - HB3   ASP- 105  22.69 +/- 4.18   0.789% *  0.0516% (0.45   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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.64, residual support = 42.0:
      O   HN    ASP- 105 - HB3   ASP- 105   2.96 +/- 0.36  98.844% * 99.9603% (0.95  10.0   4.64  41.97) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  21.87 +/- 6.20   1.156% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 3.88, residual support = 23.8:
          HN    LYS+ 106 - HB3   ASP- 105   3.67 +/- 0.59  94.452% * 99.5476% (0.18   3.88  23.85) =  99.973%  kept
          HN    VAL   41 - HB3   ASP- 105  10.91 +/- 2.28   5.548% *  0.4524% (0.15   0.02   0.02) =   0.027%
    Distance limit 3.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.61, residual support = 59.6:
          QD    PHE   97 - HB2   ASP- 105   3.60 +/- 0.68  87.232% * 99.3502% (0.87   3.61  59.63) =  99.951%  kept
          HZ3   TRP   87 - HB2   ASP- 105  19.71 +/- 8.29   6.659% *  0.5171% (0.82   0.02   0.02) =   0.040%
          HE3   TRP   49 - HB2   ASP- 105  21.22 +/- 6.14   6.108% *  0.1327% (0.21   0.02   0.02) =   0.009%
    Distance limit 4.21 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 = 4.68, residual support = 42.0:
      O   HN    ASP- 105 - HB2   ASP- 105   3.56 +/- 0.23  99.040% * 99.9603% (0.89  10.0   4.68  41.97) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  21.26 +/- 5.70   0.960% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 3.8, residual support = 23.9:
          HN    LYS+ 106 - HB2   ASP- 105   2.64 +/- 0.50  98.125% * 99.5384% (0.17   3.80  23.85) =  99.991%  kept
          HN    VAL   41 - HB2   ASP- 105  11.58 +/- 2.20   1.875% *  0.4616% (0.15   0.02   0.02) =   0.009%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.14:
        T HA    MET   96 - HA    LYS+ 106   3.03 +/- 0.80  98.082% * 99.9193% (0.87 10.00   1.07   2.14) =  99.998%  kept
          HA    PHE   72 - HA    LYS+ 106  14.92 +/- 2.97   1.918% *  0.0807% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.2, residual support = 11.2:
          QD    PHE   97 - HA    LYS+ 106   3.54 +/- 0.91  89.588% * 99.6034% (0.45   4.21  11.23) =  99.954%  kept
          HZ3   TRP   87 - HA    LYS+ 106  16.94 +/- 7.79  10.412% *  0.3966% (0.38   0.02   0.02) =   0.046%
    Distance limit 3.96 A violated in 1 structures by 0.20 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.02, residual support = 11.2:
          HN    PHE   97 - HA    LYS+ 106   3.16 +/- 0.47  93.480% * 90.8316% (0.90   3.04  11.23) =  99.567%  kept
          HN    LEU  115 - HA    LYS+ 106  10.37 +/- 2.00   4.061% *  8.9829% (0.90   0.30   0.02) =   0.428%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.11 +/- 2.04   2.458% *  0.1855% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.82 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 = 5.18, residual support = 134.9:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.89 +/- 0.02 100.000% *100.0000% (0.61  10.0   5.18 134.86) = 100.000%  kept
    Distance limit 3.65 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   2.25 +/- 0.09  99.235% * 99.8992% (0.99  10.0   4.58  26.29) =  99.999%  kept
          HN    GLY   51 - HA    LYS+ 106  18.67 +/- 4.13   0.765% *  0.1008% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 2.85 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 = 5.36, residual support = 134.9:
      O   HN    LYS+ 106 - QB    LYS+ 106   2.92 +/- 0.24  98.262% * 99.9120% (0.18  10.0   5.36 134.86) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  11.90 +/- 1.62   1.738% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.64 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 = 5.1, residual support = 26.3:
          HN    VAL  107 - QB    LYS+ 106   3.21 +/- 0.32  96.431% * 99.6057% (0.99   5.10  26.29) =  99.985%  kept
          HN    GLY   51 - QB    LYS+ 106  16.97 +/- 4.45   3.569% *  0.3943% (1.00   0.02   0.02) =   0.015%
    Distance limit 3.87 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 = 134.7:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.44 +/- 0.09  83.228% * 94.0497% (0.61  10.0 10.00   5.93 134.86) =  99.917%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.44 +/- 0.93   3.343% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.048%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.29 +/- 1.63   1.042% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.017%
          HD3   LYS+ 121 - QB    LYS+ 106  13.31 +/- 5.57   7.288% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.006%
        T HG3   LYS+  65 - QB    LYS+ 106  18.27 +/- 1.73   0.212% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - QB    LYS+ 106  19.67 +/- 1.22   0.164% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QB    LYS+ 106  10.78 +/- 1.38   1.118% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QB    LYS+ 106  13.14 +/- 2.10   0.809% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 106  15.03 +/- 3.32   0.624% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QB    LYS+ 106  10.42 +/- 0.85   1.161% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  16.26 +/- 3.70   0.540% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.46 +/- 3.45   0.157% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  16.88 +/- 2.63   0.313% *  0.0695% (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 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.7, residual support = 5.9:
          QG2   VAL  108 - QB    LYS+ 106   3.22 +/- 0.37  87.685% * 89.8340% (1.00   2.72   5.95) =  99.062%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.51 +/- 0.61   7.729% *  9.4347% (0.98   0.29   0.02) =   0.917%  kept
          QD1   ILE  119 - QB    LYS+ 106  11.61 +/- 2.03   2.298% *  0.5056% (0.76   0.02   0.02) =   0.015%
          HG3   LYS+ 112 - QB    LYS+ 106  12.92 +/- 2.57   2.287% *  0.2257% (0.34   0.02   0.02) =   0.006%
    Distance limit 3.52 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 = 0.728, support = 4.29, residual support = 24.2:
          QG2   VAL  107 - QB    LYS+ 106   5.29 +/- 0.43  27.887% * 93.3903% (0.76   4.61  26.29) =  91.971%  kept
          QG2   THR   94 - QB    LYS+ 106   4.75 +/- 0.90  38.387% *  5.5323% (0.28   0.75   0.02) =   7.500%  kept
          HG13  ILE  103 - QB    LYS+ 106   6.06 +/- 1.42  24.190% *  0.5294% (1.00   0.02   0.02) =   0.452%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  13.96 +/- 5.54   6.022% *  0.2792% (0.53   0.02   0.02) =   0.059%
          HB3   LYS+ 112 - QB    LYS+ 106  13.21 +/- 2.27   2.491% *  0.1638% (0.31   0.02   0.02) =   0.014%
          QB    ALA   20 - QB    LYS+ 106  16.91 +/- 2.28   1.022% *  0.1050% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.69 A violated in 0 structures by 0.43 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.135, support = 5.81, residual support = 110.5:
          HN    LYS+  81 - QG    LYS+  81   2.59 +/- 0.52  85.446% * 70.8334% (0.13   5.85 111.24) =  99.301%  kept
          QE    PHE   95 - HG2   LYS+ 106  10.45 +/- 1.20   2.162% * 11.4081% (0.34   0.36   0.02) =   0.405%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.11 +/- 1.02   4.648% *  1.7845% (0.98   0.02   0.02) =   0.136%  kept
          HE3   TRP   27 - QG    LYS+  81  17.33 +/- 5.05   0.772% *  6.2145% (0.47   0.15   0.02) =   0.079%
          HN    THR   23 - HG2   LYS+  33  12.15 +/- 1.04   1.265% *  0.9578% (0.53   0.02   0.02) =   0.020%
          QD    PHE   55 - HG2   LYS+ 106  16.79 +/- 2.32   0.569% *  1.0445% (0.57   0.02   0.02) =   0.010%
          HE3   TRP   27 - HG2   LYS+ 106  16.95 +/- 4.01   0.545% *  1.0823% (0.59   0.02   0.02) =   0.010%
          QE    PHE   95 - HG2   LYS+  33  18.39 +/- 2.49   0.494% *  1.0307% (0.57   0.02   0.02) =   0.008%
          HN    THR   23 - QG    LYS+  81  17.54 +/- 7.10   0.996% *  0.4586% (0.25   0.02   0.02) =   0.007%
          QE    PHE   95 - QG    LYS+  81  15.13 +/- 2.92   0.644% *  0.4935% (0.27   0.02   0.02) =   0.005%
          QD    PHE   55 - QG    LYS+  81  19.39 +/- 3.51   0.295% *  0.8245% (0.45   0.02   0.02) =   0.004%
          HN    LEU   67 - HG2   LYS+  33  15.62 +/- 2.34   0.658% *  0.3603% (0.20   0.02   0.02) =   0.004%
          QD    PHE   55 - HG2   LYS+  33  26.04 +/- 2.49   0.119% *  1.7222% (0.95   0.02   0.02) =   0.003%
          HN    THR   23 - HG2   LYS+ 106  21.71 +/- 4.82   0.252% *  0.5809% (0.32   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG2   LYS+  33  23.98 +/- 4.66   0.228% *  0.5062% (0.28   0.02   0.02) =   0.002%
          HN    LYS+  81 - HG2   LYS+ 106  20.70 +/- 5.18   0.315% *  0.3070% (0.17   0.02   0.02) =   0.002%
          HN    LEU   67 - HG2   LYS+ 106  20.08 +/- 3.47   0.353% *  0.2185% (0.12   0.02   0.02) =   0.001%
          HN    LEU   67 - QG    LYS+  81  20.16 +/- 3.16   0.240% *  0.1725% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 0.272, support = 0.597, residual support = 0.585:
          HN    GLU-  79 - QG    LYS+  81   6.28 +/- 1.22  54.265% * 77.9845% (0.27   0.61   0.60) =  97.680%  kept
          HN    VAL   70 - HG2   LYS+  33  13.85 +/- 2.28   8.136% *  4.5850% (0.49   0.02   0.02) =   0.861%  kept
          HN    THR   94 - HG2   LYS+ 106  10.86 +/- 1.76  14.354% *  1.1306% (0.12   0.02   0.02) =   0.375%  kept
          HN    GLU-  79 - HG2   LYS+  33  21.50 +/- 2.96   2.122% *  5.3330% (0.57   0.02   0.02) =   0.261%  kept
          HN    THR   94 - QG    LYS+  81  13.46 +/- 2.93  11.523% *  0.8925% (0.09   0.02   0.02) =   0.237%  kept
          HN    GLU-  79 - HG2   LYS+ 106  19.42 +/- 3.80   3.071% *  3.2343% (0.34   0.02   0.02) =   0.229%  kept
          HN    VAL   70 - HG2   LYS+ 106  19.12 +/- 3.33   3.031% *  2.7807% (0.30   0.02   0.02) =   0.195%  kept
          HN    THR   94 - HG2   LYS+  33  21.02 +/- 2.04   2.020% *  1.8641% (0.20   0.02   0.02) =   0.087%
          HN    VAL   70 - QG    LYS+  81  21.65 +/- 2.98   1.478% *  2.1952% (0.23   0.02   0.02) =   0.075%
    Distance limit 4.05 A violated in 13 structures by 2.07 A, kept.
    Not enough total support, support cutoff is 0.68
    Peak unassigned.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.65, residual support = 134.9:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.76 +/- 0.52  97.714% * 99.8764% (0.18  10.0   5.65 134.86) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  12.66 +/- 1.28   1.561% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.32 +/- 1.38   0.314% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.57 +/- 1.89   0.411% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.21, residual support = 41.9:
        T HB2   PHE   95 - HB    VAL  107   1.97 +/- 0.34 100.000% *100.0000% (0.69 10.00   4.21  41.95) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.19, residual support = 60.0:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.01  95.493% * 99.7352% (0.72  10.0 10.00   3.19  60.04) =  99.998%  kept
          HG2   LYS+ 121 - HB    VAL  107  12.88 +/- 4.36   1.009% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  10.46 +/- 1.36   1.066% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.43 +/- 2.91   1.970% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  17.09 +/- 2.19   0.218% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.62 +/- 3.76   0.243% *  0.0176% (0.13   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 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.89, residual support = 60.0:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  94.075% * 99.7552% (0.71  10.0 10.00   3.89  60.04) =  99.997%  kept
          HD3   LYS+ 112 - HB    VAL  107  10.67 +/- 2.92   2.147% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   24 - HB    VAL  107  17.17 +/- 4.45   0.681% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.43 +/- 2.91   1.902% *  0.0227% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  16.10 +/- 4.32   0.960% *  0.0178% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.62 +/- 3.76   0.235% *  0.0254% (0.18   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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.654, support = 0.623, residual support = 4.83:
          QD2   LEU  115 - HB    VAL  107   5.99 +/- 2.57  32.768% * 52.4622% (0.67   0.75   7.27) =  65.877%  kept
          QD1   LEU   63 - HB    VAL  107   8.05 +/- 2.78  23.297% * 28.2383% (0.71   0.38   0.13) =  25.210%  kept
          QD2   LEU   63 - HB    VAL  107   9.19 +/- 2.47  13.014% * 15.0359% (0.33   0.44   0.13) =   7.498%  kept
          QD1   LEU   73 - HB    VAL  107  12.63 +/- 3.58  11.877% *  1.4855% (0.71   0.02   0.02) =   0.676%  kept
          QD1   LEU  104 - HB    VAL  107   9.98 +/- 1.74  10.627% *  1.0410% (0.50   0.02   0.02) =   0.424%  kept
          QD2   LEU   80 - HB    VAL  107  15.60 +/- 2.85   5.138% *  1.3592% (0.65   0.02   0.02) =   0.268%  kept
          QG1   VAL   83 - HB    VAL  107  14.52 +/- 3.00   3.280% *  0.3779% (0.18   0.02   0.02) =   0.047%
    Distance limit 4.07 A violated in 4 structures by 0.81 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.55, residual support = 41.9:
          QD    PHE   95 - HB    VAL  107   2.50 +/- 0.51  98.500% * 99.8199% (0.63   3.55  41.95) =  99.997%  kept
          HN    ALA   47 - HB    VAL  107  12.62 +/- 2.12   1.500% *  0.1801% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 1.74, residual support = 5.63:
          QD    PHE   97 - HB    VAL  107   4.84 +/- 0.87  93.557% * 99.0454% (0.33   1.74   5.63) =  99.934%  kept
          HZ3   TRP   87 - HB    VAL  107  17.92 +/- 6.10   6.443% *  0.9546% (0.27   0.02   0.02) =   0.066%
    Distance limit 3.89 A violated in 6 structures by 1.00 A, kept.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.0:
      O   HN    VAL  107 - HB    VAL  107   2.54 +/- 0.36  99.134% * 99.8992% (0.72  10.0   3.33  60.04) =  99.999%  kept
          HN    GLY   51 - HB    VAL  107  15.93 +/- 2.99   0.866% *  0.1008% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.15, residual support = 41.9:
          HN    PHE   95 - HB    VAL  107   3.68 +/- 0.40 100.000% *100.0000% (0.47   3.15  41.95) = 100.000%  kept
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.986, support = 4.32, residual support = 59.7:
      O   QG2   VAL  107 - QG1   VAL  107   2.04 +/- 0.05  90.265% * 89.9403% (0.99  10.0  1.00   4.34  60.04) =  99.402%  kept
        T HG13  ILE  119 - QG1   VAL  107   7.41 +/- 2.79   4.993% *  9.6958% (0.20   1.0 10.00   1.08   0.02) =   0.593%  kept
          HG2   LYS+ 121 - QG1   VAL  107   9.91 +/- 4.34   2.988% *  0.0876% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - QG1   VAL  107   9.26 +/- 1.12   1.128% *  0.0587% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  15.38 +/- 3.35   0.319% *  0.1589% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QG1   VAL  107  14.79 +/- 2.19   0.307% *  0.0587% (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 = 3.89, residual support = 60.0:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  83.596% * 99.5757% (0.65  10.0 10.00   3.89  60.04) =  99.988%  kept
          QG    GLU-  79 - QG1   VAL  107  15.41 +/- 3.41   3.902% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          QE    LYS+ 112 - QG1   VAL  107   7.76 +/- 2.47   8.071% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN  116 - QG1   VAL  107   7.56 +/- 2.07   2.696% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.87 +/- 1.55   1.337% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG1   VAL  107  17.85 +/- 2.61   0.170% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.46 +/- 1.08   0.227% *  0.0384% (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 3179 (2.39, 1.15, 62.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.19, residual support = 60.0:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.01  83.721% * 99.2330% (0.65  10.0 10.00   3.19  60.04) =  99.946%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.04 +/- 2.45  10.964% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.050%
          QG    GLU-  79 - QG2   VAL  107  15.19 +/- 3.07   1.215% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN  116 - QG2   VAL  107   7.34 +/- 1.66   2.606% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG2   VAL  107   9.23 +/- 0.95   1.136% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL  107  18.36 +/- 2.46   0.157% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  16.60 +/- 1.57   0.201% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 1.73, residual support = 5.41:
        T QB    GLU- 114 - QG2   VAL  107   3.72 +/- 1.55  46.384% * 98.5348% (0.65 10.00   1.74   5.42) =  99.783%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.54 +/- 2.34  27.306% *  0.1739% (0.99  1.00   0.02   0.02) =   0.104%  kept
        T HB    ILE  119 - QG2   VAL  107   7.84 +/- 2.29  12.262% *  0.3073% (0.18 10.00   0.02   0.02) =   0.082%
          HB3   PRO   68 - QG2   VAL  107  16.61 +/- 2.11   1.991% *  0.1405% (0.80  1.00   0.02   0.02) =   0.006%
          HG2   PRO   68 - QG2   VAL  107  15.54 +/- 2.56   2.828% *  0.0854% (0.49  1.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - QG2   VAL  107  18.32 +/- 1.99   1.309% *  0.1755% (1.00  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - QG2   VAL  107  18.19 +/- 2.58   1.295% *  0.1755% (1.00  1.00   0.02   0.02) =   0.005%
          HB    ILE   19 - QG2   VAL  107  16.23 +/- 1.76   1.722% *  0.0993% (0.57  1.00   0.02   0.02) =   0.004%
          HB3   GLU-  25 - QG2   VAL  107  21.24 +/- 3.61   0.583% *  0.1660% (0.95  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - QG2   VAL  107  17.68 +/- 2.23   1.211% *  0.0721% (0.41  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QG2   VAL  107  16.71 +/- 1.35   1.385% *  0.0391% (0.22  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG2   VAL  107  16.51 +/- 2.08   1.724% *  0.0307% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 2 structures by 0.66 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.922, support = 1.26, residual support = 2.7:
        T QD1   LEU   63 - QG1   VAL  107   6.85 +/- 2.27  21.303% * 61.2441% (0.98 10.00   0.63   0.13) =  56.161%  kept
          QD2   LEU  115 - QG1   VAL  107   4.82 +/- 2.17  36.772% * 22.7157% (0.92  1.00   2.46   7.27) =  35.957%  kept
        T QD2   LEU   63 - QG1   VAL  107   7.70 +/- 2.13  12.637% * 12.0345% (0.45 10.00   0.27   0.13) =   6.547%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.16 +/- 1.45  10.587% *  1.3716% (0.69 10.00   0.02   0.02) =   0.625%  kept
        T QD1   LEU   73 - QG1   VAL  107  11.33 +/- 3.14   6.757% *  1.9572% (0.98 10.00   0.02   0.02) =   0.569%  kept
        T QG1   VAL   83 - QG1   VAL  107  13.07 +/- 3.08   3.608% *  0.4979% (0.25 10.00   0.02   0.02) =   0.077%
          QD2   LEU   80 - QG1   VAL  107  13.93 +/- 2.91   8.336% *  0.1791% (0.90  1.00   0.02   0.02) =   0.064%
    Distance limit 2.94 A violated in 5 structures by 1.06 A, kept.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.377, support = 1.27, residual support = 7.21:
          QD1   LEU  115 - QG2   VAL  107   4.08 +/- 2.18  75.615% * 97.6926% (0.38   1.28   7.27) =  99.244%  kept
          QG1   VAL   75 - QG2   VAL  107   8.86 +/- 2.24  24.385% *  2.3074% (0.57   0.02   0.02) =   0.756%  kept
    Distance limit 3.73 A violated in 3 structures by 0.46 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.85, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.46 +/- 1.50  75.569% * 58.0948% (0.90   0.02   0.02) =  81.090%  kept
          QG2   ILE   19 - QG2   VAL  107  14.65 +/- 1.70  24.431% * 41.9052% (0.65   0.02   0.02) =  18.910%  kept
    Distance limit 3.40 A violated in 20 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.62, residual support = 60.0:
      O T HA    VAL  107 - QG2   VAL  107   2.52 +/- 0.28  86.989% * 99.4123% (0.45  10.0 10.00   3.62  60.04) =  99.985%  kept
          HA    LYS+ 111 - QG2   VAL  107   6.02 +/- 1.94   9.737% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.009%
          HA    PRO   52 - QG2   VAL  107  11.57 +/- 2.43   1.915% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   91 - QG2   VAL  107  12.15 +/- 1.33   0.937% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   VAL  107  16.82 +/- 2.66   0.422% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.13 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 = 0.35, support = 2.49, residual support = 8.98:
        T HB    ILE  119 - QG1   VAL  107   7.48 +/- 3.23  31.096% * 51.1680% (0.25 10.00   0.94   0.02) =  51.546%  kept
          HB    VAL  108 - QG1   VAL  107   5.74 +/- 0.50  33.985% * 42.0600% (0.45  1.00   4.31  19.38) =  46.307%  kept
          HG2   PRO   58 - QG1   VAL  107   9.98 +/- 2.32  11.836% *  5.0549% (0.65  1.00   0.36   0.02) =   1.938%  kept
          HB2   PRO   93 - QG1   VAL  107   8.71 +/- 1.08   9.962% *  0.3635% (0.84  1.00   0.02   0.02) =   0.117%  kept
          HB2   ARG+  54 - QG1   VAL  107  13.05 +/- 2.92   5.536% *  0.2289% (0.53  1.00   0.02   0.02) =   0.041%
          HG3   PRO   52 - QG1   VAL  107  13.58 +/- 2.72   3.228% *  0.2815% (0.65  1.00   0.02   0.02) =   0.029%
          HB2   GLU-  14 - QG1   VAL  107  21.51 +/- 2.07   0.639% *  0.3160% (0.73  1.00   0.02   0.02) =   0.007%
          HB2   GLN   30 - QG1   VAL  107  16.06 +/- 2.24   1.733% *  0.1085% (0.25  1.00   0.02   0.02) =   0.006%
          HB3   GLU- 100 - QG1   VAL  107  15.58 +/- 0.94   1.619% *  0.0861% (0.20  1.00   0.02   0.02) =   0.005%
          HG2   MET   11 - QG1   VAL  107  27.23 +/- 3.55   0.366% *  0.3326% (0.76  1.00   0.02   0.02) =   0.004%
    Distance limit 3.40 A violated in 8 structures by 1.42 A, kept.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.902, support = 1.14, residual support = 6.68:
          HA    LEU  115 - QG1   VAL  107   4.05 +/- 2.75  49.326% * 46.2779% (0.90   1.13   7.27) =  69.288%  kept
          HA    GLU- 114 - QG1   VAL  107   5.70 +/- 2.03  19.900% * 50.0367% (0.92   1.19   5.42) =  30.223%  kept
          HA    ARG+  54 - QG1   VAL  107  11.39 +/- 2.91  15.338% *  0.3115% (0.34   0.02   0.02) =   0.145%  kept
          HA1   GLY  101 - QG1   VAL  107  14.73 +/- 0.84   4.839% *  0.9051% (0.99   0.02   0.02) =   0.133%  kept
          HA    ALA   34 - QG1   VAL  107  16.04 +/- 1.39   3.259% *  0.8951% (0.98   0.02   0.02) =   0.089%
          HA    ASN   28 - QG1   VAL  107  16.85 +/- 3.64   3.273% *  0.7921% (0.87   0.02   0.02) =   0.079%
          HA    THR   26 - QG1   VAL  107  19.92 +/- 3.31   1.636% *  0.5539% (0.61   0.02   0.02) =   0.028%
          HA    ALA  124 - QG1   VAL  107  13.84 +/- 3.03   2.429% *  0.2277% (0.25   0.02   0.02) =   0.017%
    Distance limit 3.36 A violated in 5 structures by 0.97 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 4.58, residual support = 60.0:
      O T HA    VAL  107 - QG1   VAL  107   2.34 +/- 0.37  89.069% * 99.4123% (0.45  10.0 10.00   4.59  60.04) =  99.987%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.43 +/- 1.63   7.877% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          HA    PRO   52 - QG1   VAL  107  12.69 +/- 2.50   1.379% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - QG1   VAL  107  13.22 +/- 1.32   1.147% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - QG1   VAL  107  16.51 +/- 3.05   0.527% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.506, support = 0.35, residual support = 1.19:
          QD    PHE   59 - QG1   VAL  107   5.31 +/- 1.93  63.458% * 79.6200% (0.49   0.37   1.25) =  95.015%  kept
          HH2   TRP   49 - QG1   VAL  107  13.03 +/- 3.71  20.403% *  8.5996% (0.97   0.02   0.02) =   3.300%  kept
          HE21  GLN   30 - QG1   VAL  107  16.00 +/- 2.59   6.327% *  7.4430% (0.84   0.02   0.02) =   0.886%  kept
          HD1   TRP   27 - QG1   VAL  107  16.33 +/- 4.25   9.812% *  4.3374% (0.49   0.02   0.02) =   0.800%  kept
    Distance limit 3.25 A violated in 9 structures by 1.87 A, kept.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.76, residual support = 41.9:
          QD    PHE   95 - QG2   VAL  107   2.32 +/- 0.59  93.959% * 99.4752% (0.95   3.76  41.95) =  99.988%  kept
          HN    ALA   47 - QG2   VAL  107  10.62 +/- 1.76   1.486% *  0.4270% (0.76   0.02   0.02) =   0.007%
          QE    PHE   72 - QG2   VAL  107   9.81 +/- 2.23   4.555% *  0.0978% (0.18   0.02   0.02) =   0.005%
    Distance limit 3.58 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 = 0.851, support = 1.63, residual support = 6.61:
          HN    LEU  115 - QG2   VAL  107   4.10 +/- 1.94  55.670% * 69.3167% (0.90   1.75   7.27) =  85.233%  kept
          HN    ASP- 113 - QG2   VAL  107   6.45 +/- 2.16  19.421% * 17.4428% (0.28   1.42   0.11) =   7.482%  kept
          HN    PHE   97 - QG2   VAL  107   6.72 +/- 1.10  24.910% * 13.2405% (0.90   0.34   5.63) =   7.285%  kept
    Distance limit 3.95 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.62, residual support = 19.4:
          HN    VAL  108 - QG2   VAL  107   3.52 +/- 0.40  85.927% * 99.3345% (0.57   3.62  19.38) =  99.890%  kept
          HN    VAL   43 - QG2   VAL  107   8.05 +/- 1.16  14.073% *  0.6655% (0.69   0.02   0.02) =   0.110%  kept
    Distance limit 3.50 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 60.0:
          HN    VAL  107 - QG1   VAL  107   2.97 +/- 0.53  94.736% * 99.5133% (0.99   4.13  60.04) =  99.973%  kept
          HN    GLY   51 - QG1   VAL  107  13.97 +/- 3.02   5.264% *  0.4867% (1.00   0.02   0.02) =   0.027%
    Distance limit 3.42 A violated in 0 structures by 0.04 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   7.75 +/- 1.08 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 4.18 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   2.78 +/- 0.35  98.098% * 99.9027% (0.99  10.0   2.20   6.40) =  99.998%  kept
          HN    PHE   45 - HA2   GLY  109  11.41 +/- 2.11   1.902% *  0.0973% (0.97   1.0   0.02   0.02) =   0.002%
    Distance limit 3.58 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 = 9.31:
      O   HN    GLY  109 - HA2   GLY  109   2.55 +/- 0.24  98.452% * 99.5895% (0.53  10.0   2.20   9.31) =  99.998%  kept
          HN    GLN   90 - HA2   GLY  109  13.87 +/- 2.74   0.812% *  0.1791% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA2   GLY  109  18.69 +/- 1.03   0.287% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  21.10 +/- 4.78   0.449% *  0.0421% (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 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.68, residual support = 64.9:
      O   HN    VAL  108 - HB    VAL  108   2.74 +/- 0.44  98.097% * 99.8788% (0.57  10.0   4.68  64.93) =  99.998%  kept
          HN    VAL   43 - HB    VAL  108  11.71 +/- 1.22   1.903% *  0.1212% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.28 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 = 7.45:
          HN    GLY  109 - QG1   VAL  108   2.58 +/- 0.31  95.617% * 89.7977% (0.14   3.09   7.47) =  99.838%  kept
          HN    GLN   90 - QG1   VAL  108  10.98 +/- 2.15   2.110% *  3.7237% (0.87   0.02   0.02) =   0.091%
          HN    SER   82 - QG1   VAL  108  16.34 +/- 4.16   1.143% *  2.9488% (0.69   0.02   0.02) =   0.039%
          HN    ILE  103 - QG1   VAL  108  13.14 +/- 1.05   0.869% *  2.9488% (0.69   0.02   0.02) =   0.030%
          HN    GLY   16 - QG1   VAL  108  23.19 +/- 3.59   0.261% *  0.5810% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.70 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 = 4.51, residual support = 64.9:
          HN    VAL  108 - QG1   VAL  108   3.57 +/- 0.15  95.808% * 99.4654% (0.57   4.51  64.93) =  99.976%  kept
          HN    VAL   43 - QG1   VAL  108  11.15 +/- 1.23   4.192% *  0.5346% (0.69   0.02   0.02) =   0.024%
    Distance limit 4.22 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 = 4.07, residual support = 64.9:
          HN    VAL  108 - QG2   VAL  108   2.78 +/- 0.65  95.622% * 99.4076% (0.57   4.07  64.93) =  99.973%  kept
          HN    VAL   43 - QG2   VAL  108   9.47 +/- 1.25   4.378% *  0.5924% (0.69   0.02   0.02) =   0.027%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.791, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.74 +/- 2.14  59.045% * 32.6470% (0.80   0.02   0.02) =  60.369%  kept
          HN    SER   82 - QG2   VAL  108  15.84 +/- 4.05  30.507% * 28.0060% (0.69   0.02   0.02) =  26.757%  kept
          HN    GLY   16 - QG2   VAL  108  21.82 +/- 3.44  10.448% * 39.3470% (0.97   0.02   0.02) =  12.874%  kept
    Distance limit 4.41 A violated in 20 structures by 5.50 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  16.77 +/- 2.42 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.96 A violated in 20 structures by 12.81 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 = 5.95:
          HA    LYS+ 106 - QG2   VAL  108   4.85 +/- 0.14 100.000% *100.0000% (0.28   1.42   5.95) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.73 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.56, residual support = 313.4:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.52 +/- 0.22  84.713% * 93.0972% (0.69  10.0  1.00   6.57 314.81) =  99.493%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.02 +/- 0.75   7.335% *  5.3130% (0.18   1.0  1.00   4.48  28.92) =   0.492%  kept
        T HG3   LYS+ 106 - HB3   LYS+ 111  12.73 +/- 3.18   1.364% *  0.3379% (0.25   1.0 10.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - HB3   LYS+ 111   9.94 +/- 3.23   2.892% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HB3   LYS+ 111  14.00 +/- 3.29   1.001% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HB3   LYS+ 111  14.89 +/- 2.12   0.565% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HB3   LYS+ 111  15.76 +/- 1.68   0.441% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   LYS+ 111  21.50 +/- 4.39   0.393% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 111  17.85 +/- 3.06   0.347% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.52 +/- 4.01   0.205% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  18.98 +/- 2.87   0.297% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  24.83 +/- 4.44   0.145% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.27 +/- 3.32   0.201% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  26.85 +/- 3.85   0.102% *  0.0418% (0.31   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 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.317, support = 3.58, residual support = 28.3:
          HB3   LYS+ 112 - HB3   LYS+ 111   5.69 +/- 1.53  40.476% * 88.2655% (0.31  1.00   3.66  28.92) =  97.908%  kept
          QG2   VAL  107 - HB3   LYS+ 111   5.01 +/- 2.99  53.729% *  1.1958% (0.76  1.00   0.02   0.02) =   1.761%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  15.82 +/- 2.68   1.136% *  8.2326% (0.53 10.00   0.02   0.02) =   0.256%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.57 +/- 1.95   3.423% *  0.4351% (0.28  1.00   0.02   0.02) =   0.041%
          HG13  ILE  103 - HB3   LYS+ 111  16.89 +/- 3.34   0.688% *  1.5613% (1.00  1.00   0.02   0.02) =   0.029%
          QB    ALA   20 - HB3   LYS+ 111  20.90 +/- 3.55   0.548% *  0.3097% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 3.21 A violated in 0 structures by 0.39 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.97, residual support = 314.8:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.89 +/- 0.17  89.019% * 99.9336% (0.97  10.0   6.97 314.81) =  99.998%  kept
          HA    VAL  108 - HB3   LYS+ 111   7.54 +/- 2.07   9.827% *  0.0160% (0.15   1.0   0.02   0.02) =   0.002%
          HA    PRO   52 - HB3   LYS+ 111  13.57 +/- 2.36   1.154% *  0.0504% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 314.8:
      O   HN    LYS+ 111 - HB3   LYS+ 111   3.04 +/- 0.56  94.855% * 99.6823% (0.73  10.0   5.50 314.81) =  99.997%  kept
          HN    ILE   56 - HB3   LYS+ 111  11.04 +/- 1.73   3.265% *  0.0468% (0.34   1.0   0.02   1.93) =   0.002%
          HN    ALA   84 - HB3   LYS+ 111  21.36 +/- 3.53   0.492% *  0.0997% (0.73   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   LYS+ 111  15.02 +/- 1.96   1.269% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  30.90 +/- 4.55   0.120% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.05, residual support = 314.8:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.05 +/- 0.65  86.751% * 99.5678% (1.00  10.0   7.05 314.81) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  11.48 +/- 1.69   2.525% *  0.0834% (0.84   1.0   0.02   1.93) =   0.002%
          HN    LEU   63 - HB2   LYS+ 111  15.60 +/- 2.18   0.793% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  10.80 +/- 1.18   2.939% *  0.0146% (0.15   1.0   0.02   1.67) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.62 +/- 4.00   0.337% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  16.09 +/- 2.90   1.052% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.36 +/- 0.87   4.052% *  0.0031% (0.03   1.0   0.02  16.37) =   0.000%
          HN    ALA   84 - HG3   GLN   30  22.87 +/- 5.81   0.553% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  31.35 +/- 4.76   0.117% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  24.96 +/- 5.56   0.433% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  23.73 +/- 2.97   0.264% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.79 +/- 3.06   0.183% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.49, residual support = 313.6:
          HN    LYS+ 111 - HG2   LYS+ 111   3.32 +/- 0.96  81.525% * 92.5329% (0.18   6.52 314.81) =  99.606%  kept
          QE    PHE   60 - HG2   LYS+ 111  13.32 +/- 3.43   8.950% *  2.3508% (0.31   0.09   0.02) =   0.278%  kept
          HN    LEU   63 - HG2   LYS+ 111  16.61 +/- 2.59   3.724% *  0.9832% (0.61   0.02   0.02) =   0.048%
          HN    ILE   56 - HG2   LYS+ 111  11.93 +/- 1.78   3.701% *  0.7890% (0.49   0.02   1.93) =   0.039%
          HZ2   TRP   87 - HG2   LYS+ 111  20.61 +/- 5.08   1.026% *  1.4537% (0.90   0.02   0.02) =   0.020%
          HD21  ASN   28 - HG2   LYS+ 111  25.44 +/- 5.16   0.337% *  1.6066% (0.99   0.02   0.02) =   0.007%
          HN    ALA   84 - HG2   LYS+ 111  21.52 +/- 4.22   0.736% *  0.2839% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.05 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 314.7:
          HN    LYS+ 111 - HG3   LYS+ 111   3.21 +/- 0.55  81.153% * 98.0213% (0.65   6.55 314.81) =  99.963%  kept
          HN    LEU   63 - HG3   LYS+ 111  16.69 +/- 2.66   2.285% *  0.4617% (1.00   0.02   0.02) =   0.013%
          HN    ILE   56 - HG3   LYS+ 111  11.88 +/- 1.80   2.269% *  0.4466% (0.97   0.02   1.93) =   0.013%
          HN    LEU   63 - HG2   LYS+  74  10.06 +/- 2.14   4.875% *  0.0493% (0.11   0.02   0.02) =   0.003%
          HN    ALA   84 - HG3   LYS+ 111  21.31 +/- 4.45   0.547% *  0.2994% (0.65   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HG3   LYS+ 111  20.48 +/- 5.30   0.611% *  0.1737% (0.38   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG3   LYS+ 111  25.52 +/- 5.19   0.321% *  0.2620% (0.57   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  14.17 +/- 2.49   2.984% *  0.0280% (0.06   0.02   0.02) =   0.001%
          HN    ILE   56 - HG2   LYS+  74  15.09 +/- 2.48   1.137% *  0.0477% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HG2   LYS+  74  19.40 +/- 3.99   1.213% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  15.30 +/- 2.09   1.177% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  32.20 +/- 4.53   0.156% *  0.1154% (0.25   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  19.01 +/- 4.34   0.801% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.58 +/- 3.14   0.471% *  0.0123% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0879, support = 5.91, residual support = 31.7:
          HN    VAL   75 - HG2   LYS+  74   3.65 +/- 0.58  86.423% * 91.8178% (0.09   5.94  31.85) =  99.542%  kept
          HN    ASP-  78 - HG3   LYS+ 111  20.21 +/- 5.44   5.780% *  3.5795% (0.99   0.02   0.02) =   0.260%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.19 +/- 1.40   5.705% *  1.7109% (0.11   0.09   0.02) =   0.122%  kept
          HN    VAL   75 - HG3   LYS+ 111  19.21 +/- 4.13   2.092% *  2.8918% (0.80   0.02   0.02) =   0.076%
    Distance limit 3.94 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.718, support = 1.33, residual support = 4.09:
        T HB2   LEU  115 - HA    LYS+ 112   3.65 +/- 0.73  49.041% * 67.4842% (0.76 10.00   0.75   2.35) =  82.961%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.02 +/- 0.49  23.729% * 16.6388% (0.73  1.00   1.95   0.82) =   9.897%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.22 +/- 0.34  18.937% * 14.9728% (0.18  1.00   7.26  28.92) =   7.108%  kept
          HG3   PRO   58 - HA    LYS+ 112   9.49 +/- 2.87   5.765% *  0.1886% (0.80  1.00   0.02   0.02) =   0.027%
          HG2   PRO   68 - HA    LYS+ 112  19.83 +/- 3.35   0.383% *  0.2043% (0.87  1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - HA    LYS+ 112  17.40 +/- 2.58   0.660% *  0.0884% (0.38  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LYS+ 112  21.96 +/- 2.75   0.268% *  0.1886% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    LYS+ 112  27.84 +/- 4.79   0.240% *  0.0884% (0.38  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    LYS+ 112  20.65 +/- 4.49   0.403% *  0.0412% (0.18  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  23.81 +/- 3.60   0.308% *  0.0524% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  23.54 +/- 3.41   0.266% *  0.0524% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.69, residual support = 7.9:
        T QD1   ILE   56 - HA    LYS+ 112   4.71 +/- 1.97  74.221% * 99.6920% (0.84 10.00   1.69   7.90) =  99.975%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.82 +/- 1.27   5.733% *  0.1305% (0.92  1.00   0.02   0.02) =   0.010%
          QD2   LEU   73 - HA    LYS+ 112  15.20 +/- 3.07   7.471% *  0.0801% (0.57  1.00   0.02   0.02) =   0.008%
          QD2   LEU  123 - HA    LYS+ 112  12.29 +/- 1.60  10.608% *  0.0393% (0.28  1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - HA    LYS+ 112  22.59 +/- 3.95   1.966% *  0.0581% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 3.33 A violated in 8 structures by 1.51 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.758, support = 1.26, residual support = 2.47:
          QD    PHE   55 - HA    LYS+ 112   6.24 +/- 2.65  42.992% * 54.9185% (0.95   1.09   0.86) =  50.515%  kept
          QE    PHE   95 - HA    LYS+ 112   4.87 +/- 1.44  53.779% * 42.9731% (0.57   1.43   4.12) =  49.446%  kept
          HE3   TRP   27 - HA    LYS+ 112  20.69 +/- 3.40   0.835% *  1.0426% (0.98   0.02   0.02) =   0.019%
          HN    THR   23 - HA    LYS+ 112  23.80 +/- 4.22   1.135% *  0.5596% (0.53   0.02   0.02) =   0.014%
          HN    LEU   67 - HA    LYS+ 112  17.94 +/- 1.90   0.823% *  0.2105% (0.20   0.02   0.02) =   0.004%
          HN    LYS+  81 - HA    LYS+ 112  23.08 +/- 3.05   0.436% *  0.2957% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 1 structures by 0.20 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 238.2:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.06  96.601% * 99.7200% (0.92  10.0   5.75 238.20) =  99.998%  kept
          HN    MET   92 - HA    LYS+ 112  13.40 +/- 1.99   1.834% *  0.0300% (0.28   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HA    LYS+ 112  13.88 +/- 1.86   1.080% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HA    LYS+ 112  18.71 +/- 3.11   0.416% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  35.12 +/- 5.79   0.069% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 6.24, residual support = 238.2:
          HN    LYS+ 112 - HG2   LYS+ 112   3.85 +/- 0.64  97.209% * 98.9793% (0.41   6.24 238.20) =  99.989%  kept
          HN    ASP-  78 - HG2   LYS+ 112  19.57 +/- 3.39   1.062% *  0.5900% (0.76   0.02   0.02) =   0.007%
          HN    VAL   75 - HG2   LYS+ 112  17.68 +/- 2.75   1.459% *  0.2383% (0.31   0.02   0.02) =   0.004%
          HN    MET   11 - HG2   LYS+ 112  35.95 +/- 7.11   0.270% *  0.1925% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.728, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   7.98 +/- 1.71  38.359% * 30.2011% (0.90   0.02   0.02) =  52.044%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.62 +/- 2.45  33.429% * 17.7173% (0.53   0.02   0.02) =  26.608%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.01 +/- 2.29  22.462% * 15.0977% (0.45   0.02   0.02) =  15.235%  kept
          HN    LYS+  66 - HG2   LYS+ 112  16.72 +/- 2.20   4.056% * 31.0863% (0.92   0.02   0.02) =   5.664%  kept
          HN    LYS+  81 - HG2   LYS+ 112  24.12 +/- 3.27   1.695% *  5.8976% (0.18   0.02   0.02) =   0.449%  kept
    Distance limit 4.19 A violated in 16 structures by 2.52 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.6, residual support = 237.8:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.75 +/- 0.54  93.958% * 92.8438% (0.20  10.0 10.00   4.60 238.20) =  99.851%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  11.70 +/- 2.60   2.262% *  4.6500% (0.99   1.0 10.00   0.02   0.02) =   0.120%  kept
          HG3   MET   96 - HG2   LYS+ 112  17.00 +/- 3.71   1.468% *  1.4890% (0.69   1.0  1.00   0.09   0.02) =   0.025%
          HB3   PHE   45 - HG2   LYS+ 112  15.03 +/- 3.06   1.754% *  0.0928% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HG2   LYS+ 112  22.22 +/- 3.71   0.319% *  0.3919% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  29.80 +/- 5.55   0.128% *  0.3223% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  30.27 +/- 5.20   0.110% *  0.2103% (0.45   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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.199, support = 4.64, residual support = 237.7:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.81 +/- 0.45  93.632% * 90.7460% (0.20  10.0 10.00   4.65 238.20) =  99.789%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.76 +/- 2.45   2.634% *  4.5449% (0.99   1.0 10.00   0.02   0.02) =   0.141%  kept
          HG3   MET   96 - HG3   LYS+ 112  16.41 +/- 3.20   1.520% *  3.7148% (0.69   1.0  1.00   0.24   0.02) =   0.066%
          HB3   PHE   45 - HG3   LYS+ 112  14.49 +/- 3.16   1.564% *  0.0907% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HG3   LYS+ 112  21.75 +/- 3.54   0.331% *  0.3830% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG3   LYS+ 112  29.54 +/- 5.10   0.157% *  0.3150% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG3   LYS+ 112  29.99 +/- 4.67   0.162% *  0.2056% (0.45   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 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.284, support = 1.81, residual support = 4.08:
          QE    PHE   95 - HG3   LYS+ 112   6.33 +/- 2.17  74.690% * 87.2142% (0.28   1.83   4.12) =  98.930%  kept
          HD1   TRP   49 - HG3   LYS+ 112  17.14 +/- 4.52  11.379% *  3.3127% (0.97   0.02   0.02) =   0.572%  kept
          HD2   HIS   22 - HG3   LYS+ 112  25.67 +/- 5.12   3.703% *  3.4326% (1.00   0.02   0.02) =   0.193%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.68 +/- 2.23   5.243% *  2.3579% (0.69   0.02   0.02) =   0.188%  kept
          HD21  ASN   35 - HG3   LYS+ 112  27.51 +/- 6.14   1.538% *  2.6233% (0.76   0.02   0.02) =   0.061%
          HN    THR   23 - HG3   LYS+ 112  24.65 +/- 4.59   3.447% *  1.0595% (0.31   0.02   0.02) =   0.055%
    Distance limit 4.33 A violated in 12 structures by 2.12 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 238.2:
          HN    LYS+ 112 - HG3   LYS+ 112   3.49 +/- 0.34  97.371% * 98.9260% (0.41   5.92 238.20) =  99.989%  kept
          HN    ASP-  78 - HG3   LYS+ 112  19.10 +/- 3.74   1.145% *  0.6208% (0.76   0.02   0.02) =   0.007%
          HN    VAL   75 - HG3   LYS+ 112  17.24 +/- 3.06   1.317% *  0.2507% (0.31   0.02   0.02) =   0.003%
          HN    MET   11 - HG3   LYS+ 112  35.77 +/- 6.77   0.168% *  0.2025% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.83, residual support = 238.1:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.37 +/- 0.16  95.559% * 95.1769% (0.20  10.0  1.00   3.83 238.20) =  99.959%  kept
        T HG3   MET   96 - HD2   LYS+ 112  17.33 +/- 3.74   0.728% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.026%
          HB3   ASP-  62 - HD2   LYS+ 112  12.16 +/- 3.25   2.386% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.012%
          HB3   PHE   45 - HD2   LYS+ 112  15.03 +/- 3.41   0.978% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD2   LYS+ 112  22.01 +/- 3.48   0.169% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD2   LYS+ 112  29.97 +/- 5.72   0.082% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  30.45 +/- 5.22   0.097% *  0.2156% (0.45   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 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 238.2:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.70 +/- 0.23  94.937% * 99.7845% (0.85  10.0   5.70 238.20) =  99.994%  kept
          QG1   VAL   42 - HD3   LYS+ 112  12.51 +/- 2.98   3.133% *  0.1103% (0.94   1.0   0.02   0.02) =   0.004%
          QB    ALA   47 - HD3   LYS+ 112  12.10 +/- 2.79   1.930% *  0.1053% (0.89   1.0   0.02   0.02) =   0.002%
    Distance limit 3.50 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 = 238.2:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.36 +/- 0.16  97.104% * 98.0934% (0.19  10.0   3.30 238.20) =  99.989%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  12.08 +/- 3.05   1.631% *  0.4913% (0.94   1.0   0.02   0.02) =   0.008%
          HG3   MET   96 - HD3   LYS+ 112  17.42 +/- 3.33   0.397% *  0.3405% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HD3   LYS+ 112  22.10 +/- 3.37   0.143% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HB3   PHE   45 - HD3   LYS+ 112  15.15 +/- 2.81   0.583% *  0.0981% (0.19   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  29.97 +/- 5.57   0.075% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  30.42 +/- 5.05   0.066% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 238.1:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.75 +/- 0.54  80.062% * 99.5374% (0.75  10.0 10.00   4.60 238.20) =  99.977%  kept
          QG1   VAL   42 - QE    LYS+ 112  10.67 +/- 3.00   6.141% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.008%
          QB    ALA   47 - QE    LYS+ 112  10.06 +/- 2.64   6.245% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.008%
        T HG2   LYS+ 112 - HB3   ASP-  62  11.70 +/- 2.60   1.933% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   42 - HB3   ASP-  62   8.50 +/- 1.18   3.989% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   47 - HB3   ASP-  62  12.80 +/- 2.43   1.629% *  0.0215% (0.16   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 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.425, support = 1.2, residual support = 7.5:
          QD1   ILE   56 - QE    LYS+ 112   4.68 +/- 1.90  34.392% * 77.7320% (0.44   1.25   7.90) =  94.939%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.48 +/- 1.08  13.202% *  3.8657% (0.09   0.30   0.02) =   1.812%  kept
          QD2   LEU   73 - HB3   ASP-  62  10.92 +/- 2.39   6.997% *  3.7126% (0.14   0.19   0.02) =   0.922%  kept
          QG2   THR   46 - HB3   ASP-  62  10.53 +/- 3.60  12.255% *  1.7940% (0.05   0.24   0.02) =   0.781%  kept
          QG2   VAL   18 - HB3   ASP-  62  11.11 +/- 3.13   6.758% *  2.4490% (0.07   0.25   0.02) =   0.588%  kept
          QG2   THR   46 - QE    LYS+ 112  10.24 +/- 2.78   8.513% *  0.7298% (0.26   0.02   0.02) =   0.221%  kept
          QG1   VAL   41 - QE    LYS+ 112  15.88 +/- 3.63   2.658% *  1.9751% (0.70   0.02   0.02) =   0.186%  kept
          QG1   VAL   43 - QE    LYS+ 112  13.05 +/- 2.90   2.912% *  1.5297% (0.54   0.02   0.02) =   0.158%  kept
          QD2   LEU   73 - QE    LYS+ 112  14.29 +/- 3.46   2.274% *  1.8934% (0.67   0.02   0.02) =   0.153%  kept
          QG2   VAL   18 - QE    LYS+ 112  16.04 +/- 3.88   2.652% *  0.9721% (0.34   0.02   0.02) =   0.092%
          HG    LEU   31 - QE    LYS+ 112  21.36 +/- 4.51   0.811% *  2.1828% (0.77   0.02   0.02) =   0.063%
          QG1   VAL   43 - HB3   ASP-  62  12.39 +/- 1.70   3.343% *  0.3130% (0.11   0.02   0.02) =   0.037%
          QG1   VAL   41 - HB3   ASP-  62  13.60 +/- 2.54   2.130% *  0.4041% (0.14   0.02   0.02) =   0.031%
          HG    LEU   31 - HB3   ASP-  62  18.45 +/- 4.64   1.103% *  0.4466% (0.16   0.02   0.02) =   0.017%
    Distance limit 3.81 A violated in 5 structures by 0.78 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.64, residual support = 236.2:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.81 +/- 0.45  71.611% * 95.4405% (0.81  10.0 10.00   4.65 238.20) =  99.006%  kept
          HG    LEU   63 - HB3   ASP-  62   5.58 +/- 1.04  16.400% *  4.1365% (0.15   1.0  1.00   4.56  42.28) =   0.983%  kept
        T HG3   LYS+ 112 - HB3   ASP-  62  11.76 +/- 2.45   1.830% *  0.1953% (0.16   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   63 - QE    LYS+ 112  11.63 +/- 2.90   2.599% *  0.0887% (0.75   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   24 - QE    LYS+ 112  18.16 +/- 4.17   1.130% *  0.0756% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    LYS+ 112  10.09 +/- 2.07   3.376% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB3   ASP-  62  16.89 +/- 4.11   0.998% *  0.0155% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.01 +/- 3.15   0.815% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.52 +/- 1.51   0.783% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  17.23 +/- 3.18   0.458% *  0.0031% (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 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.496, support = 0.02, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   7.04 +/- 2.45  24.200% * 59.7816% (0.51 10.00   0.02   0.02) =  86.669%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.30 +/- 1.88  16.688% *  6.3761% (0.54  1.00   0.02   0.02) =   6.374%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.94 +/- 1.27  23.809% *  1.3045% (0.11  1.00   0.02   0.02) =   1.861%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  14.58 +/- 2.17   2.438% *  8.2327% (0.70  1.00   0.02   0.02) =   1.202%  kept
          QB    ALA   20 - HB3   ASP-  62  13.58 +/- 2.56   7.769% *  2.0121% (0.17  1.00   0.02   0.02) =   0.937%  kept
          QB    ALA   20 - QE    LYS+ 112  17.60 +/- 3.10   1.420% *  9.8344% (0.83  1.00   0.02   0.02) =   0.837%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.10 +/- 1.46   9.479% *  1.2231% (0.10  1.00   0.02   0.02) =   0.695%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  13.75 +/- 2.66   5.359% *  1.6844% (0.14  1.00   0.02   0.02) =   0.541%  kept
          HB3   LEU   31 - HB3   ASP-  62  18.92 +/- 4.89   5.525% *  1.2231% (0.10  1.00   0.02   0.02) =   0.405%  kept
          HB3   LEU   31 - QE    LYS+ 112  21.57 +/- 4.71   0.809% *  5.9782% (0.51  1.00   0.02   0.02) =   0.290%  kept
          HG13  ILE  103 - QE    LYS+ 112  18.01 +/- 3.77   1.406% *  1.9506% (0.17  1.00   0.02   0.02) =   0.164%  kept
          HG13  ILE  103 - HB3   ASP-  62  19.48 +/- 2.47   1.098% *  0.3991% (0.03  1.00   0.02   0.02) =   0.026%
    Distance limit 3.22 A violated in 16 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.771, support = 0.884, residual support = 2.64:
          QE    PHE   95 - QE    LYS+ 112   5.95 +/- 2.22  24.655% * 61.6770% (0.82   1.09   4.12) =  54.580%  kept
          QD    PHE   55 - QE    LYS+ 112   5.09 +/- 2.69  38.564% * 32.2722% (0.72   0.64   0.86) =  44.670%  kept
          QE    PHE   95 - HB3   ASP-  62   8.11 +/- 1.62   9.045% *  1.2092% (0.17   0.10   0.02) =   0.393%  kept
          HD1   TRP   49 - QE    LYS+ 112  14.63 +/- 3.99   9.791% *  0.3561% (0.26   0.02   0.02) =   0.125%  kept
          QD    PHE   55 - HB3   ASP-  62  10.95 +/- 1.23   3.170% *  0.7844% (0.15   0.08   0.02) =   0.089%
          HN    LEU   67 - QE    LYS+ 112  16.48 +/- 2.74   1.602% *  0.7464% (0.54   0.02   0.02) =   0.043%
          HN    LEU   67 - HB3   ASP-  62   8.70 +/- 1.15   6.559% *  0.1527% (0.11   0.02   0.02) =   0.036%
          HN    THR   23 - QE    LYS+ 112  21.98 +/- 4.28   0.450% *  1.1135% (0.81   0.02   0.02) =   0.018%
          HE3   TRP   27 - QE    LYS+ 112  19.60 +/- 3.87   0.531% *  0.9239% (0.67   0.02   0.02) =   0.018%
          HN    THR   23 - HB3   ASP-  62  18.72 +/- 3.88   1.476% *  0.2278% (0.16   0.02   0.02) =   0.012%
          HE3   TRP   27 - HB3   ASP-  62  16.19 +/- 3.04   1.043% *  0.1890% (0.14   0.02   0.02) =   0.007%
          HD2   HIS   22 - QE    LYS+ 112  22.89 +/- 4.81   0.474% *  0.2283% (0.17   0.02   0.02) =   0.004%
          HD1   TRP   49 - HB3   ASP-  62  18.28 +/- 4.29   1.172% *  0.0729% (0.05   0.02   0.02) =   0.003%
          HD2   HIS   22 - HB3   ASP-  62  18.88 +/- 4.78   1.467% *  0.0467% (0.03   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 2 structures by 0.29 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.844, support = 3.2, residual support = 22.1:
          HN    GLU- 114 - QB    ASP- 113   2.89 +/- 0.30  75.858% * 73.1610% (0.84   3.36  23.56) =  93.405%  kept
          HN    GLN  116 - QB    ASP- 113   5.05 +/- 0.23  15.608% * 24.3686% (0.98   0.95   1.90) =   6.401%  kept
          HN    THR  118 - QB    ASP- 113   7.52 +/- 0.88   5.463% *  1.9419% (0.80   0.09   0.02) =   0.179%  kept
          HN    PHE   60 - QB    ASP- 113  11.37 +/- 1.67   2.761% *  0.2949% (0.57   0.02   0.02) =   0.014%
          HN    LEU   71 - QB    ASP- 113  20.31 +/- 2.65   0.311% *  0.2336% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.94 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   2.22 +/- 0.22  99.463% * 99.9821% (0.98  10.0   3.49  14.47) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.96 +/- 2.27   0.537% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.428, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   7.83 +/- 2.35  78.416% * 39.4133% (0.41 10.00   0.02   0.02) =  89.767%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.73 +/- 2.38   5.603% * 50.4393% (0.53 10.00   0.02   0.02) =   8.208%  kept
          HB    ILE   89 - HA    ASP- 113  21.03 +/- 2.46   6.485% *  8.8499% (0.92  1.00   0.02   0.02) =   1.667%  kept
          HB    VAL   43 - HA    ASP- 113  17.74 +/- 2.63   9.496% *  1.2975% (0.14  1.00   0.02   0.02) =   0.358%  kept
    Distance limit 3.76 A violated in 18 structures by 4.14 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.765, support = 4.58, residual support = 51.7:
      O   HN    GLU- 114 - HA    GLU- 114   2.79 +/- 0.05  35.491% * 52.0806% (0.84  10.0   3.80  43.90) =  74.144%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.05  16.622% * 28.1269% (0.45  10.0   7.87 100.08) =  18.754%  kept
          HN    GLN  116 - HA    GLU- 114   4.48 +/- 0.50  10.284% * 13.0238% (0.98   1.0   4.26   1.87) =   5.372%  kept
          HN    GLU- 114 - HA    LEU  115   5.15 +/- 0.14   5.782% *  5.2866% (0.38   1.0   4.41  21.49) =   1.226%  kept
          HN    THR  118 - HA    GLU- 114   5.11 +/- 1.10   9.108% *  0.9998% (0.80   1.0   0.40   0.12) =   0.365%  kept
          HN    THR  118 - HA    LEU  115   3.57 +/- 0.43  18.955% *  0.1468% (0.37   1.0   0.13   0.11) =   0.112%  kept
          HN    PHE   60 - HA    LEU  115   7.78 +/- 1.26   2.465% *  0.2594% (0.26   1.0   0.32   0.02) =   0.026%
          HN    PHE   60 - HA    GLU- 114  11.52 +/- 1.55   0.693% *  0.0353% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  16.19 +/- 2.58   0.438% *  0.0129% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.89 +/- 2.93   0.163% *  0.0280% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.656, support = 6.28, residual support = 119.6:
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.06  27.541% * 65.8618% (0.90  10.0   4.90  21.49) =  50.574%  kept
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.05  57.330% * 30.3104% (0.41  10.0   7.78 223.90) =  48.449%  kept
          HN    ASP- 113 - HA    GLU- 114   5.14 +/- 0.15   9.376% *  3.7222% (0.28   1.0   3.65  23.56) =   0.973%  kept
          HN    PHE   97 - HA    GLU- 114  13.09 +/- 1.71   0.647% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    LEU  115  10.88 +/- 2.37   1.289% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.94 +/- 0.25   3.816% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
    Distance limit 3.40 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 = 4.22, residual support = 42.5:
      O   HN    GLU- 114 - QB    GLU- 114   2.28 +/- 0.19  81.103% * 75.7308% (0.81  10.0   4.22  43.90) =  96.699%  kept
          HN    GLN  116 - QB    GLU- 114   5.01 +/- 0.33   8.742% * 21.1406% (0.95   1.0   4.76   1.87) =   2.910%  kept
          HN    THR  118 - QB    GLU- 114   5.63 +/- 1.04   8.154% *  3.0367% (0.77   1.0   0.84   0.12) =   0.390%  kept
          HN    PHE   60 - QB    GLU- 114  10.06 +/- 1.60   1.751% *  0.0513% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  17.68 +/- 2.23   0.249% *  0.0406% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.825, support = 5.46, residual support = 21.6:
          HN    LEU  115 - QB    GLU- 114   3.13 +/- 0.43  71.646% * 83.3164% (0.87   5.59  21.49) =  93.266%  kept
          HN    ASP- 113 - QB    GLU- 114   4.55 +/- 0.32  26.264% * 16.3857% (0.27   3.55  23.56) =   6.724%  kept
          HN    PHE   97 - QB    GLU- 114  10.69 +/- 1.59   2.091% *  0.2979% (0.87   0.02   0.02) =   0.010%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.858, support = 4.21, residual support = 36.1:
          HN    GLU- 114 - QG    GLU- 114   2.56 +/- 0.43  70.081% * 46.1265% (0.83   4.33  43.90) =  81.472%  kept
          HN    GLN  116 - QG    GLU- 114   4.94 +/- 0.77  13.845% * 49.3870% (0.98   3.95   1.87) =  17.233%  kept
          HN    THR  118 - QG    GLU- 114   5.80 +/- 0.99  12.025% *  4.2277% (0.80   0.41   0.12) =   1.281%  kept
          HN    PHE   60 - QG    GLU- 114   9.78 +/- 2.25   3.687% *  0.1444% (0.56   0.02   0.02) =   0.013%
          HN    LEU   71 - QG    GLU- 114  17.58 +/- 2.74   0.362% *  0.1143% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.56 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 = 5.76, residual support = 21.5:
          HN    LEU  115 - QG    GLU- 114   2.88 +/- 1.02  95.561% * 98.5348% (0.45   5.76  21.49) =  99.983%  kept
          HN    PHE   97 - QG    GLU- 114  10.48 +/- 1.56   3.855% *  0.3421% (0.45   0.02   0.02) =   0.014%
          HN    ASN   35 - QG    GLU- 114  21.61 +/- 3.11   0.399% *  0.4014% (0.52   0.02   0.02) =   0.002%
          HN    ALA   12 - QG    GLU- 114  30.09 +/- 3.92   0.186% *  0.7217% (0.94   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.927, support = 1.07, residual support = 4.16:
          QG1   VAL  107 - QG    GLU- 114   4.30 +/- 1.78  57.082% * 54.0269% (0.98   1.14   5.42) =  72.964%  kept
          HD3   LYS+ 112 - QG    GLU- 114   6.98 +/- 1.92  30.543% * 34.7381% (0.83   0.86   0.82) =  25.102%  kept
          HG13  ILE  119 - QG    GLU- 114   8.46 +/- 1.31   8.006% *  9.9319% (0.22   0.92   0.11) =   1.881%  kept
          QG1   VAL   24 - QG    GLU- 114  18.15 +/- 4.59   1.975% *  0.8927% (0.92   0.02   0.02) =   0.042%
          QG2   VAL   24 - QG    GLU- 114  17.38 +/- 4.25   1.729% *  0.1694% (0.17   0.02   0.02) =   0.007%
          HB3   LEU   31 - QG    GLU- 114  19.61 +/- 3.84   0.665% *  0.2411% (0.25   0.02   0.02) =   0.004%
    Distance limit 3.30 A violated in 0 structures by 0.43 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 1.73, residual support = 5.36:
        T QG2   VAL  107 - QB    GLU- 114   3.72 +/- 1.55  70.679% * 94.9129% (0.59 10.00   1.74   5.42) =  98.894%  kept
          HG13  ILE  119 - QB    GLU- 114   8.58 +/- 0.85  15.880% *  4.6116% (0.62  1.00   0.79   0.11) =   1.080%  kept
          HG2   LYS+ 121 - QB    GLU- 114  11.15 +/- 1.92   5.559% *  0.1506% (0.81  1.00   0.02   0.02) =   0.012%
          QB    ALA   20 - QB    GLU- 114  18.11 +/- 3.19   4.114% *  0.1799% (0.96  1.00   0.02   0.02) =   0.011%
          HB3   LEU   31 - QB    GLU- 114  19.87 +/- 3.79   1.192% *  0.1093% (0.59  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QB    GLU- 114  13.76 +/- 1.56   2.576% *  0.0357% (0.19  1.00   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 3 structures by 0.79 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.907, support = 6.45, residual support = 217.3:
      O T HA    LEU  115 - HB3   LEU  115   2.44 +/- 0.24  81.410% * 66.5643% (0.92  10.0 10.00   6.54 223.90) =  96.723%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.34 +/- 0.35   5.646% * 32.3284% (0.45   1.0 10.00   3.85  21.49) =   3.258%  kept
        T HA    ARG+  54 - HB3   LEU  115  10.90 +/- 2.02   1.335% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.014%
        T HA    LEU  115 - HB3   LEU   40  14.47 +/- 3.36   1.238% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HA    ASN   28 - HB3   LEU  115  21.03 +/- 4.71   0.387% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.15 +/- 1.25   3.679% *  0.0068% (0.09   1.0  1.00   0.02   0.50) =   0.000%
          HA    ALA  124 - HB3   LEU  115  15.00 +/- 1.16   0.398% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  17.76 +/- 3.15   0.429% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  19.98 +/- 2.65   0.202% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  19.97 +/- 3.50   0.227% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  13.45 +/- 6.38   1.480% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.86 +/- 2.43   0.704% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.68 +/- 2.04   0.127% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.51 +/- 2.71   0.355% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  16.22 +/- 5.82   0.741% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  22.07 +/- 2.32   0.128% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  11.77 +/- 1.96   1.134% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  24.63 +/- 4.42   0.120% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  23.96 +/- 4.44   0.152% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  24.01 +/- 3.19   0.108% *  0.0026% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 223.9:
      O T QD1   LEU  115 - HB3   LEU  115   2.51 +/- 0.40  94.885% * 99.7570% (0.87  10.0 10.00   6.34 223.90) =  99.996%  kept
          QG1   VAL   75 - HB3   LEU  115  11.56 +/- 2.30   2.093% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  115 - HB3   LEU   40  13.46 +/- 3.25   1.299% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   75 - HB3   LEU   40  12.16 +/- 2.02   1.723% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.44, residual support = 222.8:
      O T QD2   LEU  115 - HB3   LEU  115   2.70 +/- 0.39  52.797% * 95.7151% (0.45  10.0 10.00   7.47 223.90) =  99.495%  kept
          QG2   VAL   41 - HB3   LEU   40   5.86 +/- 0.50   6.228% *  1.9547% (0.04   1.0  1.00   4.16  20.55) =   0.240%  kept
          QD1   LEU   63 - HB3   LEU  115   7.14 +/- 2.18   8.141% *  1.4491% (0.80   1.0  1.00   0.17   0.02) =   0.232%  kept
          QD2   LEU   63 - HB3   LEU  115   8.38 +/- 1.88   3.504% *  0.1971% (0.92   1.0  1.00   0.02   0.02) =   0.014%
          QD1   LEU   73 - HB3   LEU  115  13.63 +/- 4.22   1.435% *  0.1710% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  115 - HB3   LEU   40  13.16 +/- 2.90   1.696% *  0.1123% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU   63 - HB3   LEU   40   8.12 +/- 1.81   6.449% *  0.0201% (0.09   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   41 - HB3   LEU  115  13.33 +/- 2.85   1.550% *  0.0801% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   LEU   40   7.82 +/- 1.89   5.110% *  0.0231% (0.11   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB3   LEU  115  13.21 +/- 2.98   1.025% *  0.0475% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40  10.42 +/- 2.21   1.612% *  0.0201% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   40   8.75 +/- 3.72   5.191% *  0.0056% (0.03   1.0  1.00   0.02   9.04) =   0.001%
          QD2   LEU   98 - HB3   LEU  115  14.00 +/- 1.99   0.537% *  0.0475% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  115  17.66 +/- 2.36   0.247% *  0.0878% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU   40   8.77 +/- 4.04   3.580% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.77 +/- 2.59   0.259% *  0.0475% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  17.27 +/- 3.38   0.356% *  0.0103% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.97 +/- 3.50   0.283% *  0.0056% (0.03   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 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.951, support = 7.72, residual support = 87.9:
          HN    GLN  116 - HB3   LEU  115   3.75 +/- 0.55  33.963% * 67.6141% (0.98   8.56 100.08) =  85.992%  kept
          HN    GLU- 114 - HB3   LEU  115   5.74 +/- 0.50  10.383% * 22.1375% (0.84   3.29  21.49) =   8.608%  kept
          HN    THR  118 - HB3   LEU  115   5.23 +/- 0.51  13.938% *  8.1984% (0.80   1.27   0.11) =   4.279%  kept
          HN    LEU   71 - HB3   LEU   40   5.21 +/- 1.85  22.347% *  0.9338% (0.05   2.20   1.60) =   0.781%  kept
          HN    PHE   60 - HB3   LEU  115   6.65 +/- 1.42   9.034% *  0.9838% (0.57   0.22   0.02) =   0.333%  kept
          HN    LEU   71 - HB3   LEU  115  16.17 +/- 2.80   0.811% *  0.0723% (0.45   0.02   0.02) =   0.002%
          HN    THR  118 - HB3   LEU   40  14.04 +/- 4.11   3.317% *  0.0151% (0.09   0.02   0.02) =   0.002%
          HN    PHE   60 - HB3   LEU   40  13.68 +/- 2.49   4.626% *  0.0107% (0.07   0.02   0.02) =   0.002%
          HN    GLN  116 - HB3   LEU   40  16.55 +/- 3.49   1.052% *  0.0185% (0.12   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB3   LEU   40  18.75 +/- 3.03   0.529% *  0.0158% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 7.53, residual support = 223.6:
      O   HN    LEU  115 - HB3   LEU  115   3.21 +/- 0.42  83.195% * 98.7593% (0.90  10.0   7.53 223.90) =  99.873%  kept
          HN    ASP- 113 - HB3   LEU  115   6.77 +/- 0.80   9.131% *  1.1152% (0.28   1.0   0.73   0.02) =   0.124%  kept
          HN    PHE   97 - HB3   LEU  115  11.56 +/- 2.43   2.484% *  0.0988% (0.90   1.0   0.02   0.02) =   0.003%
          HN    PHE   97 - HB3   LEU   40  11.40 +/- 2.52   3.017% *  0.0116% (0.11   1.0   0.02   1.30) =   0.000%
          HN    LEU  115 - HB3   LEU   40  16.71 +/- 3.17   1.555% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  20.36 +/- 3.15   0.619% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 2.35:
        T HA    LYS+ 112 - HB2   LEU  115   3.65 +/- 0.73  90.150% * 95.3768% (0.69 10.00   0.75   2.35) =  99.820%  kept
          HB2   HIS  122 - HB2   LEU  115  12.32 +/- 1.20   3.405% *  4.3977% (0.41  1.00   0.58   0.02) =   0.174%  kept
          HB    THR   46 - HB2   LEU  115  12.13 +/- 2.94   5.325% *  0.0733% (0.20  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HB2   LEU  115  23.30 +/- 5.12   1.120% *  0.1522% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 3.79 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.952, support = 1.63, residual support = 6.89:
          QE    PHE   95 - HB2   LEU  115   3.42 +/- 1.34  75.434% * 44.8035% (0.98   1.50   7.96) =  75.244%  kept
          QD    PHE   55 - HB2   LEU  115   7.54 +/- 1.95  20.789% * 53.4174% (0.87   2.02   3.66) =  24.724%  kept
          HE3   TRP   27 - HB2   LEU  115  18.24 +/- 3.26   1.048% *  0.4880% (0.80   0.02   0.02) =   0.011%
          HN    LEU   67 - HB2   LEU  115  15.61 +/- 1.61   0.932% *  0.3943% (0.65   0.02   0.02) =   0.008%
          HN    THR   23 - HB2   LEU  115  21.71 +/- 3.83   0.618% *  0.5882% (0.97   0.02   0.02) =   0.008%
          HD1   TRP   49 - HB2   LEU  115  17.24 +/- 2.07   0.674% *  0.1881% (0.31   0.02   0.02) =   0.003%
          HD2   HIS   22 - HB2   LEU  115  22.74 +/- 4.32   0.505% *  0.1206% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 7.22, residual support = 93.2:
          HN    GLN  116 - HB2   LEU  115   3.52 +/- 0.58  51.760% * 80.6146% (0.80   7.56 100.08) =  91.321%  kept
          HN    GLU- 114 - HB2   LEU  115   5.03 +/- 0.55  21.040% * 17.8081% (0.34   3.92  21.49) =   8.200%  kept
          HN    THR  118 - HB2   LEU  115   5.51 +/- 0.51  15.495% *  1.2161% (0.98   0.09   0.11) =   0.412%  kept
          HN    PHE   60 - HB2   LEU  115   6.67 +/- 1.14  11.511% *  0.2612% (0.98   0.02   0.02) =   0.066%
          HN    GLU-  15 - HB2   LEU  115  24.46 +/- 2.90   0.194% *  0.1000% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.32, residual support = 223.3:
      O   HN    LEU  115 - HB2   LEU  115   2.58 +/- 0.47  90.523% * 96.9409% (0.90  10.0   7.33 223.90) =  99.734%  kept
          HN    ASP- 113 - HB2   LEU  115   5.99 +/- 0.69   7.861% *  2.9622% (0.28   1.0   1.97   0.02) =   0.265%  kept
          HN    PHE   97 - HB2   LEU  115  11.79 +/- 2.16   1.616% *  0.0969% (0.90   1.0   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.604, support = 6.34, residual support = 76.7:
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.05  16.045% * 66.6157% (0.82  10.0   7.87 100.08) =  62.145%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.79 +/- 0.05  34.258% * 15.5315% (0.19  10.0   3.80  43.90) =  30.937%  kept
          HN    GLU- 114 - HA    LEU  115   5.15 +/- 0.14   5.581% * 12.5209% (0.70   1.0   4.41  21.49) =   4.063%  kept
          HN    GLN  116 - HA    GLU- 114   4.48 +/- 0.50   9.926% *  3.8840% (0.22   1.0   4.26   1.87) =   2.242%  kept
          HN    THR  118 - HA    LEU  115   3.57 +/- 0.43  18.296% *  0.3477% (0.67   1.0   0.13   0.11) =   0.370%  kept
          HN    THR  118 - HA    GLU- 114   5.11 +/- 1.10   8.794% *  0.2982% (0.18   1.0   0.40   0.12) =   0.152%  kept
          HN    PHE   60 - HA    LEU  115   7.78 +/- 1.26   2.379% *  0.6143% (0.47   1.0   0.32   0.02) =   0.085%
          HN    PHE   60 - HA    ARG+  54   7.53 +/- 0.70   1.895% *  0.0216% (0.27   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    ARG+  54  12.14 +/- 1.53   0.502% *  0.0373% (0.46   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  14.44 +/- 2.39   0.477% *  0.0305% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  13.52 +/- 1.90   0.424% *  0.0318% (0.39   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  16.19 +/- 2.58   0.423% *  0.0305% (0.37   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    GLU- 114  11.52 +/- 1.55   0.669% *  0.0105% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  19.15 +/- 2.29   0.174% *  0.0171% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.89 +/- 2.93   0.157% *  0.0083% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 7.44, residual support = 200.0:
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.05  56.070% * 77.4025% (0.75  10.0   7.78 223.90) =  88.181%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.06  26.937% * 21.1778% (0.20  10.0   4.90  21.49) =  11.591%  kept
          HN    ASP- 113 - HA    GLU- 114   5.14 +/- 0.15   9.170% *  1.1969% (0.06   1.0   3.65  23.56) =   0.223%  kept
          HN    PHE   97 - HA    LEU  115  10.88 +/- 2.37   1.260% *  0.0774% (0.75   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HA    LEU  115   6.94 +/- 0.25   3.732% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  12.08 +/- 1.94   1.135% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ARG+  54  17.64 +/- 3.18   0.415% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.09 +/- 1.71   0.633% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  12.96 +/- 1.44   0.647% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.775, support = 7.39, residual support = 222.5:
          HN    LEU  115 - HG    LEU  115   2.98 +/- 1.06  76.089% * 95.3764% (0.78   7.43 223.90) =  99.382%  kept
          HN    ASP- 113 - HG    LEU  115   5.74 +/- 1.34  12.088% *  2.8983% (0.24   0.73   0.02) =   0.480%  kept
          HN    PHE   97 - HG    LEU   40   9.78 +/- 2.60   6.832% *  1.3545% (0.26   0.31   1.30) =   0.127%  kept
          HN    PHE   97 - HG    LEU  115  12.50 +/- 2.60   2.687% *  0.2567% (0.78   0.02   0.02) =   0.009%
          HN    LEU  115 - HG    LEU   40  15.16 +/- 2.95   1.643% *  0.0872% (0.26   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG    LEU   40  18.88 +/- 2.93   0.661% *  0.0270% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.09 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  10.41 +/- 1.53 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.93 A violated in 20 structures by 6.48 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.732, support = 1.6, residual support = 6.08:
          QE    PHE   95 - QD1   LEU  115   3.00 +/- 1.65  68.819% * 33.5342% (0.57   1.50   7.96) =  56.192%  kept
          QD    PHE   55 - QD1   LEU  115   5.78 +/- 2.20  27.701% * 64.9003% (0.95   1.74   3.66) =  43.775%  kept
          HE3   TRP   27 - QD1   LEU  115  15.15 +/- 3.00   0.826% *  0.7741% (0.98   0.02   0.02) =   0.016%
          HN    THR   23 - QD1   LEU  115  17.74 +/- 3.63   1.063% *  0.4155% (0.53   0.02   0.02) =   0.011%
          HN    LEU   67 - QD1   LEU  115  12.95 +/- 1.91   1.227% *  0.1563% (0.20   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD1   LEU  115  18.16 +/- 1.87   0.364% *  0.2196% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.4, residual support = 28.6:
          QD    PHE   59 - QD1   LEU  115   3.02 +/- 0.76  92.638% * 98.6972% (0.95   4.40  28.63) =  99.966%  kept
          HH2   TRP   49 - QD1   LEU  115  11.54 +/- 2.78   4.363% *  0.3963% (0.84   0.02   0.02) =   0.019%
          HE21  GLN   30 - QD1   LEU  115  16.70 +/- 3.34   1.646% *  0.4578% (0.97   0.02   0.02) =   0.008%
          HD1   TRP   27 - QD1   LEU  115  16.98 +/- 3.71   1.354% *  0.4488% (0.95   0.02   0.02) =   0.007%
    Distance limit 3.55 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.43, residual support = 7.95:
          QD    PHE   95 - QD2   LEU  115   4.69 +/- 1.86  89.116% * 99.5554% (0.84   1.44   7.96) =  99.945%  kept
          HN    ALA   47 - QD2   LEU  115  11.43 +/- 1.43  10.884% *  0.4446% (0.27   0.02   0.02) =   0.055%
    Distance limit 3.53 A violated in 6 structures by 1.35 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.65, residual support = 28.5:
          QE    PHE   59 - QD2   LEU  115   3.14 +/- 0.65  60.429% * 77.0690% (0.89   2.89  28.63) =  89.825%  kept
          HN    PHE   59 - QD2   LEU  115   4.73 +/- 1.55  33.220% * 14.9314% (0.93   0.54  28.63) =   9.567%  kept
          HN    HIS  122 - QD2   LEU  115   8.28 +/- 1.35   4.122% *  7.5241% (0.43   0.58   0.02) =   0.598%  kept
          HN    LYS+  66 - QD2   LEU  115  11.31 +/- 1.35   1.443% *  0.2588% (0.43   0.02   0.02) =   0.007%
          HH2   TRP   87 - QD2   LEU  115  18.74 +/- 4.58   0.787% *  0.2167% (0.36   0.02   0.02) =   0.003%
    Distance limit 2.95 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 = 3.88, residual support = 15.3:
        T QD1   ILE  119 - HA    GLN  116   3.10 +/- 0.95  81.337% * 99.5742% (0.61 10.00   3.88  15.33) =  99.987%  kept
          QD2   LEU   40 - HA    GLN  116  11.84 +/- 3.41   7.074% *  0.0616% (0.38  1.00   0.02   0.02) =   0.005%
          QD1   LEU   67 - HA    GLN  116  12.43 +/- 2.58   3.881% *  0.0560% (0.34  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - HA    GLN  116  16.28 +/- 2.41   1.071% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          HB2   LEU  104 - HA    GLN  116  15.49 +/- 3.42   1.722% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    GLN  116  11.92 +/- 1.72   2.498% *  0.0325% (0.20  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    GLN  116  14.13 +/- 2.10   1.652% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  19.14 +/- 2.91   0.766% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.924, support = 6.06, residual support = 96.5:
          QD2   LEU  115 - HA    GLN  116   2.95 +/- 1.12  62.825% * 89.7586% (0.92   6.26 100.08) =  96.448%  kept
          QD1   LEU   63 - HA    GLN  116   7.78 +/- 2.55  24.788% *  7.6801% (0.98   0.50   0.02) =   3.256%  kept
          QD2   LEU   63 - HA    GLN  116   8.74 +/- 2.57   9.919% *  1.6875% (0.45   0.24   0.02) =   0.286%  kept
          QD1   LEU   73 - HA    GLN  116  15.60 +/- 3.89   1.005% *  0.3045% (0.98   0.02   0.02) =   0.005%
          QD1   LEU  104 - HA    GLN  116  14.40 +/- 3.33   0.755% *  0.2134% (0.69   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    GLN  116  20.30 +/- 2.45   0.304% *  0.2786% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    GLN  116  19.78 +/- 2.31   0.404% *  0.0774% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.86, residual support = 15.3:
          HN    ILE  119 - HA    GLN  116   3.26 +/- 0.38  97.546% * 97.5094% (0.57   2.86  15.33) =  99.978%  kept
          HN    CYS   21 - HA    GLN  116  20.74 +/- 3.78   1.429% *  1.1610% (0.97   0.02   0.02) =   0.017%
          HN    LYS+  33 - HA    GLN  116  24.00 +/- 4.31   0.332% *  0.6811% (0.57   0.02   0.02) =   0.002%
          HN    ILE   89 - HA    GLN  116  23.20 +/- 1.66   0.320% *  0.4104% (0.34   0.02   0.02) =   0.001%
          HN    SER   37 - HA    GLN  116  23.34 +/- 4.28   0.373% *  0.2381% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.975, support = 6.72, residual support = 116.7:
      O   HN    GLN  116 - HA    GLN  116   2.72 +/- 0.04  69.648% * 90.4173% (0.98  10.0   6.86 120.41) =  96.896%  kept
          HN    THR  118 - HA    GLN  116   4.23 +/- 0.54  21.374% *  9.4121% (0.80   1.0   2.55   0.12) =   3.095%  kept
          HN    GLU- 114 - HA    GLN  116   6.81 +/- 0.30   4.500% *  0.0770% (0.84   1.0   0.02   1.87) =   0.005%
          HN    PHE   60 - HA    GLN  116   7.93 +/- 1.47   3.847% *  0.0522% (0.57   1.0   0.02   0.02) =   0.003%
          HN    LEU   71 - HA    GLN  116  16.72 +/- 3.69   0.630% *  0.0414% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 0.698, residual support = 1.75:
          HA    ASP- 113 - HB2   GLN  116   3.33 +/- 0.71  76.294% * 38.2679% (0.49  1.00   0.75   1.90) =  91.944%  kept
        T HA    PRO   58 - HB2   GLN  116  10.49 +/- 1.59   4.275% * 51.1220% (0.41 10.00   0.12   0.02) =   6.883%  kept
          HA    ILE   56 - HB2   GLN  116   7.66 +/- 1.63  13.711% *  2.0233% (0.97  1.00   0.02   0.02) =   0.874%  kept
          HA    LEU  123 - HB2   GLN  116  12.16 +/- 1.19   2.439% *  2.0918% (1.00  1.00   0.02   0.02) =   0.161%  kept
          HA    LEU   40 - HB2   GLN  116  18.79 +/- 3.94   1.750% *  1.1869% (0.57  1.00   0.02   0.02) =   0.065%
          HA    ASN   35 - HB2   GLN  116  24.94 +/- 3.71   0.580% *  1.9832% (0.95  1.00   0.02   0.02) =   0.036%
          HA    LYS+  99 - HB2   GLN  116  21.29 +/- 2.21   0.441% *  1.7511% (0.84  1.00   0.02   0.02) =   0.024%
          HA    GLU-  15 - HB2   GLN  116  25.17 +/- 2.66   0.317% *  0.7868% (0.38  1.00   0.02   0.02) =   0.008%
          HA    SER   13 - HB2   GLN  116  29.23 +/- 4.15   0.193% *  0.7868% (0.38  1.00   0.02   0.02) =   0.005%
    Distance limit 3.81 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.463, support = 6.68, residual support = 96.2:
          QD2   LEU  115 - HB2   GLN  116   3.49 +/- 1.05  68.276% * 82.4468% (0.45   6.94 100.08) =  96.122%  kept
          QD1   LEU   63 - HB2   GLN  116   9.49 +/- 2.46  18.545% *  9.1676% (0.80   0.43   0.02) =   2.903%  kept
          QD2   LEU   63 - HB2   GLN  116  10.41 +/- 2.56   7.786% *  7.1898% (0.92   0.29   0.02) =   0.956%  kept
          QD1   LEU   73 - HB2   GLN  116  17.13 +/- 3.82   1.110% *  0.4246% (0.80   0.02   0.02) =   0.008%
          QG2   VAL   41 - HB2   GLN  116  16.78 +/- 2.30   1.349% *  0.1990% (0.38   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB2   GLN  116  15.65 +/- 2.88   1.047% *  0.1181% (0.22   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   GLN  116  20.96 +/- 2.60   0.546% *  0.2180% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB2   GLN  116  17.46 +/- 1.58   0.745% *  0.1181% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  20.99 +/- 2.66   0.596% *  0.1181% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 6.76, residual support = 96.9:
          QD2   LEU  115 - HG2   GLN  116   3.87 +/- 1.10  65.121% * 89.9591% (1.00   6.95 100.08) =  96.781%  kept
          QD1   LEU   63 - HG2   GLN  116   9.19 +/- 2.84  21.108% *  9.1542% (0.84   0.85   0.02) =   3.192%  kept
          QD2   LEU   63 - HG2   GLN  116  10.00 +/- 2.88   8.865% *  0.0645% (0.25   0.02   0.02) =   0.009%
          QD1   LEU  104 - HG2   GLN  116  15.54 +/- 2.59   1.626% *  0.2320% (0.90   0.02   0.02) =   0.006%
          QD1   LEU   73 - HG2   GLN  116  17.03 +/- 3.95   1.742% *  0.2161% (0.84   0.02   0.02) =   0.006%
          QD2   LEU   80 - HG2   GLN  116  21.23 +/- 2.81   0.870% *  0.2581% (1.00   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG2   GLN  116  20.57 +/- 2.46   0.668% *  0.1160% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.646, support = 4.48, residual support = 120.2:
      O   HE21  GLN  116 - HG2   GLN  116   3.18 +/- 0.65  73.239% * 99.1607% (0.65  10.0   4.48 120.41) =  99.822%  kept
          HN    ALA  120 - HG2   GLN  116   5.71 +/- 1.17  22.659% *  0.5509% (0.28   1.0   0.26   0.15) =   0.172%  kept
          HN    ALA   57 - HG2   GLN  116  10.06 +/- 1.91   3.666% *  0.1113% (0.73   1.0   0.02   0.02) =   0.006%
          HE21  GLN   90 - HG2   GLN  116  24.83 +/- 2.86   0.224% *  0.1502% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  26.21 +/- 5.18   0.212% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.804, support = 7.01, residual support = 116.3:
          HN    GLN  116 - HG2   GLN  116   3.41 +/- 0.59  66.613% * 85.5760% (0.80   7.23 120.41) =  96.601%  kept
          HN    THR  118 - HG2   GLN  116   5.97 +/- 0.98  14.781% * 11.9068% (0.98   0.82   0.12) =   2.982%  kept
          HN    GLU- 114 - HG2   GLN  116   6.62 +/- 1.37  10.525% *  2.1164% (0.34   0.42   1.87) =   0.377%  kept
          HN    PHE   60 - HG2   GLN  116   9.06 +/- 2.05   7.876% *  0.2899% (0.98   0.02   0.02) =   0.039%
          HN    GLU-  15 - HG2   GLN  116  25.41 +/- 2.75   0.205% *  0.1110% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.682, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HB2   GLN  116   7.59 +/- 1.27  41.479% * 15.3326% (0.76   0.02   0.02) =  53.238%  kept
          QD    PHE   55 - HB2   GLN  116   8.20 +/- 2.16  37.085% *  6.8436% (0.34   0.02   0.02) =  21.245%  kept
          HN    LEU   67 - HB2   GLN  116  17.41 +/- 2.32   4.543% * 20.0629% (1.00   0.02   0.02) =   7.630%  kept
          HD2   HIS   22 - HB2   GLN  116  25.60 +/- 5.47   5.850% * 13.7814% (0.69   0.02   0.02) =   6.749%  kept
          HN    THR   23 - HB2   GLN  116  24.99 +/- 4.93   4.241% * 16.0651% (0.80   0.02   0.02) =   5.703%  kept
          HD1   TRP   49 - HB2   GLN  116  20.46 +/- 3.13   2.414% * 16.7579% (0.84   0.02   0.02) =   3.387%  kept
          HE3   TRP   27 - HB2   GLN  116  21.80 +/- 3.74   2.840% *  5.5782% (0.28   0.02   0.02) =   1.326%  kept
          HD21  ASN   35 - HB2   GLN  116  26.51 +/- 5.09   1.549% *  5.5782% (0.28   0.02   0.02) =   0.723%  kept
    Distance limit 3.87 A violated in 18 structures by 2.74 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.39, residual support = 119.6:
      O   HN    GLN  116 - HB2   GLN  116   2.14 +/- 0.15  86.124% * 90.4216% (0.98  10.0   7.43 120.41) =  99.282%  kept
          HN    GLU- 114 - HB2   GLN  116   5.30 +/- 0.44   6.297% *  5.7915% (0.84   1.0   1.50   1.87) =   0.465%  kept
          HN    THR  118 - HB2   GLN  116   5.63 +/- 0.42   5.339% *  3.6933% (0.80   1.0   1.00   0.12) =   0.251%  kept
          HN    PHE   60 - HB2   GLN  116   9.27 +/- 1.65   2.032% *  0.0522% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HB2   GLN  116  19.02 +/- 3.45   0.207% *  0.0414% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.7:
          HN    SER  117 - HB2   GLN  116   3.57 +/- 0.38  99.229% * 99.5625% (0.98   4.91  28.66) =  99.998%  kept
          HN    GLY   16 - HB2   GLN  116  23.90 +/- 3.38   0.478% *  0.3454% (0.84   0.02   0.02) =   0.002%
          HN    SER   82 - HB2   GLN  116  26.65 +/- 2.11   0.293% *  0.0921% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.91, residual support = 28.7:
      O   HN    SER  117 - HA    GLN  116   3.54 +/- 0.06  99.188% * 99.8922% (0.98  10.0   4.91  28.66) =  99.999%  kept
          HN    GLY   16 - HA    GLN  116  21.61 +/- 3.37   0.550% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  26.17 +/- 1.96   0.262% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.919, support = 1.96, residual support = 5.09:
        T QB    ALA  120 - HA    SER  117   3.44 +/- 0.51  62.638% * 88.7873% (0.92 10.00   1.97   5.14) =  98.665%  kept
          HG    LEU  115 - HA    SER  117   8.04 +/- 0.69   5.866% *  6.4792% (0.92  1.00   1.44   2.25) =   0.674%  kept
          HB3   LEU  115 - HA    SER  117   7.71 +/- 0.36   6.098% *  3.4146% (0.38  1.00   1.86   2.25) =   0.369%  kept
          HD2   LYS+ 121 - HA    SER  117   6.76 +/- 2.05  20.277% *  0.7925% (0.18  1.00   0.93   0.02) =   0.285%  kept
        T QG2   THR   26 - HA    SER  117  22.10 +/- 4.32   0.483% *  0.2715% (0.28 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    SER  117  16.22 +/- 4.13   1.060% *  0.0976% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HA    SER  117  15.07 +/- 3.82   1.193% *  0.0366% (0.38  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    SER  117  17.85 +/- 3.23   0.675% *  0.0475% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    SER  117  18.49 +/- 3.03   1.363% *  0.0217% (0.22  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    SER  117  21.84 +/- 2.87   0.347% *  0.0514% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.56, support = 1.84, residual support = 23.1:
          HE21  GLN  116 - HA    SER  117   5.56 +/- 1.90  38.900% * 81.3514% (0.65   2.10  28.66) =  76.557%  kept
          HN    ALA  120 - HA    SER  117   3.87 +/- 0.30  59.015% * 16.3934% (0.28   0.98   5.14) =  23.405%  kept
          HN    ALA   57 - HA    SER  117  13.71 +/- 1.30   1.416% *  0.8704% (0.73   0.02   0.02) =   0.030%
          HE21  GLN   90 - HA    SER  117  27.07 +/- 2.05   0.193% *  1.1749% (0.98   0.02   0.02) =   0.005%
          HD21  ASN   35 - HA    SER  117  25.11 +/- 5.24   0.476% *  0.2099% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.05 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   2.75 +/- 0.05  99.487% * 99.9049% (0.57  10.0   3.65  15.42) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  23.15 +/- 3.09   0.209% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  23.39 +/- 4.31   0.304% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.3, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.49 +/- 1.64   8.387% * 14.4446% (0.49   0.02   0.02) =  21.968%  kept
          QD    PHE   60 - QB    SER  117  10.87 +/- 1.75   7.901% * 12.2000% (0.41   0.02   0.02) =  17.478%  kept
          HN    LYS+  81 - QB    SER   85   7.12 +/- 0.52  20.923% *  3.4992% (0.12   0.02   0.02) =  13.276%  kept
          QE    PHE   95 - QB    SER  117   7.88 +/- 0.62  14.860% *  4.5788% (0.15   0.02   0.02) =  12.338%  kept
          HN    LYS+  81 - QB    SER   48  14.18 +/- 4.57   9.967% *  5.8981% (0.20   0.02   0.02) =  10.660%  kept
          QD    PHE   60 - QB    SER   48  10.77 +/- 3.15  13.343% *  3.1728% (0.11   0.02   0.02) =   7.677%  kept
          HE3   TRP   27 - QB    SER  117  19.01 +/- 3.99   1.778% * 16.8009% (0.57   0.02   0.02) =   5.416%  kept
          QD    PHE   55 - QB    SER   48  12.38 +/- 2.03   4.388% *  3.7566% (0.13   0.02   0.02) =   2.989%  kept
          HN    LYS+  81 - QB    SER  117  24.41 +/- 3.08   0.577% * 22.6789% (0.76   0.02   0.02) =   2.371%  kept
          HE3   TRP   27 - QB    SER   85  19.45 +/- 6.33   3.121% *  2.5923% (0.09   0.02   0.02) =   1.467%  kept
          QE    PHE   95 - QB    SER   48  11.58 +/- 2.29   5.871% *  1.1908% (0.04   0.02   0.02) =   1.268%  kept
          QD    PHE   60 - QB    SER   85  16.37 +/- 2.97   3.255% *  1.8824% (0.06   0.02   0.02) =   1.111%  kept
          HE3   TRP   27 - QB    SER   48  18.85 +/- 3.05   1.215% *  4.3694% (0.15   0.02   0.02) =   0.963%  kept
          QD    PHE   55 - QB    SER   85  19.62 +/- 3.34   1.641% *  2.2287% (0.08   0.02   0.02) =   0.663%  kept
          QE    PHE   95 - QB    SER   85  15.90 +/- 2.64   2.774% *  0.7065% (0.02   0.02   0.02) =   0.355%  kept
    Distance limit 3.93 A violated in 16 structures by 1.86 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.12, residual support = 44.0:
      O T QG2   THR  118 - HB    THR  118   2.17 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   4.12  44.00) = 100.000%  kept
    Distance limit 3.20 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 = 0.667, support = 3.04, residual support = 30.3:
          QG1   VAL  107 - HB    THR  118   4.71 +/- 3.70  44.064% * 51.8417% (0.98   1.37   2.72) =  58.600%  kept
          HG13  ILE  119 - HB    THR  118   5.30 +/- 1.04  34.530% * 46.4782% (0.22   5.42  69.70) =  41.170%  kept
          QG1   VAL   24 - HB    THR  118  18.45 +/- 5.95   8.072% *  0.7105% (0.92   0.02   0.02) =   0.147%  kept
          HD3   LYS+ 112 - HB    THR  118  10.89 +/- 1.39   2.698% *  0.6429% (0.84   0.02   0.02) =   0.045%
          QG2   VAL   24 - HB    THR  118  17.54 +/- 5.61   9.991% *  0.1348% (0.18   0.02   0.02) =   0.035%
          HB3   LEU   31 - HB    THR  118  18.74 +/- 4.69   0.645% *  0.1919% (0.25   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.561, support = 1.71, residual support = 11.2:
          QE    PHE   59 - HB    THR  118   3.13 +/- 0.90  72.894% * 33.6562% (0.45   1.86  12.65) =  75.437%  kept
          HN    HIS  122 - HB    THR  118   7.09 +/- 0.33  11.707% * 55.1180% (0.92   1.48   5.28) =  19.841%  kept
          HN    PHE   59 - HB    THR  118   8.83 +/- 1.66  14.535% * 10.5248% (0.84   0.31  12.65) =   4.704%  kept
          HH2   TRP   87 - HB    THR  118  22.94 +/- 5.87   0.864% *  0.7011% (0.87   0.02   0.02) =   0.019%
    Distance limit 4.07 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 3.75, residual support = 43.9:
      O   HN    THR  118 - HB    THR  118   2.16 +/- 0.15  89.656% * 95.5703% (0.98  10.0   3.76  44.00) =  99.777%  kept
          HN    GLN  116 - HB    THR  118   5.70 +/- 0.56   5.540% *  2.8699% (0.80   1.0   0.74   0.12) =   0.185%  kept
          HN    PHE   60 - HB    THR  118   8.82 +/- 1.21   2.098% *  1.4900% (0.98   1.0   0.31   0.02) =   0.036%
          HN    GLU- 114 - HB    THR  118   7.63 +/- 1.03   2.608% *  0.0333% (0.34   1.0   0.02   0.12) =   0.001%
          HN    GLU-  15 - HB    THR  118  22.60 +/- 2.97   0.099% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.44, residual support = 44.0:
      O T QG2   THR  118 - HA    THR  118   2.68 +/- 0.20 100.000% *100.0000% (0.14  10.0 10.00   5.44  44.00) = 100.000%  kept
    Distance limit 3.15 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 = 0.854, support = 0.02, residual support = 66.5:
        T QG2   ILE  119 - HA    THR  118   5.74 +/- 0.29  54.963% * 82.9340% (0.87 10.00   0.02  69.70) =  95.454%  kept
          QD2   LEU   71 - HA    THR  118  13.16 +/- 4.34  22.278% *  6.2402% (0.65  1.00   0.02   0.02) =   2.911%  kept
          QD1   ILE  103 - HA    THR  118  13.60 +/- 4.02   7.573% *  7.1780% (0.75  1.00   0.02   0.02) =   1.138%  kept
          QG2   ILE  103 - HA    THR  118  11.51 +/- 3.92  13.825% *  1.5050% (0.16  1.00   0.02   0.02) =   0.436%  kept
          HG3   LYS+  74 - HA    THR  118  20.01 +/- 2.85   1.361% *  2.1428% (0.22  1.00   0.02   0.02) =   0.061%
    Distance limit 3.26 A violated in 17 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.379, support = 5.3, residual support = 51.9:
        T HG13  ILE  119 - HA    THR  118   6.26 +/- 0.89  33.809% * 77.0918% (0.20 10.00   6.74  69.70) =  73.490%  kept
          QG1   VAL  107 - HA    THR  118   6.69 +/- 3.63  42.213% * 22.1523% (0.88  1.00   1.31   2.72) =  26.366%  kept
          QG1   VAL   24 - HA    THR  118  19.74 +/- 6.38  11.383% *  0.3196% (0.83  1.00   0.02   0.02) =   0.103%  kept
          HD3   LYS+ 112 - HA    THR  118  12.78 +/- 1.45   3.043% *  0.2892% (0.75  1.00   0.02   0.02) =   0.025%
          QG2   VAL   24 - HA    THR  118  18.83 +/- 5.95   8.372% *  0.0606% (0.16  1.00   0.02   0.02) =   0.014%
          HB3   LEU   31 - HA    THR  118  19.62 +/- 5.06   1.180% *  0.0863% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.56 A violated in 5 structures by 0.80 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.481, support = 2.71, residual support = 7.19:
        T HB3   LYS+ 121 - HA    THR  118   3.71 +/- 0.55  41.536% * 62.9909% (0.22 10.00   2.61   7.19) =  61.300%  kept
          HD2   LYS+ 121 - HA    THR  118   3.55 +/- 1.31  45.951% * 35.9092% (0.89  1.00   2.87   7.19) =  38.660%  kept
          HG2   LYS+  65 - HA    THR  118  16.99 +/- 3.07   2.282% *  0.2526% (0.90  1.00   0.02   0.02) =   0.014%
          QD    LYS+  66 - HA    THR  118  15.54 +/- 3.71   2.685% *  0.1834% (0.65  1.00   0.02   0.02) =   0.012%
          QG2   THR   26 - HA    THR  118  19.39 +/- 4.40   0.827% *  0.2504% (0.89  1.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - HA    THR  118  12.83 +/- 4.49   3.145% *  0.0562% (0.20  1.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HA    THR  118  13.86 +/- 5.79   1.526% *  0.0630% (0.22  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HA    THR  118  19.41 +/- 2.95   0.442% *  0.2110% (0.75  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HA    THR  118  11.99 +/- 1.98   1.214% *  0.0442% (0.16  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    THR  118  19.64 +/- 2.97   0.390% *  0.0390% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 6.16, residual support = 69.1:
        T HB    ILE  119 - HA    THR  118   5.62 +/- 0.36  54.791% * 96.0139% (0.69 10.00   6.21  69.70) =  99.089%  kept
          HB    VAL  108 - HA    THR  118  13.49 +/- 4.20  13.831% *  3.2832% (0.85  1.00   0.55   0.02) =   0.855%  kept
          HG2   PRO   58 - HA    THR  118  11.99 +/- 2.43  12.682% *  0.1215% (0.16  1.00   0.11   0.02) =   0.029%
          HB2   ARG+  54 - HA    THR  118  18.25 +/- 2.91   3.415% *  0.1231% (0.88  1.00   0.02   0.02) =   0.008%
          HB2   PRO   93 - HA    THR  118  14.93 +/- 1.80   3.346% *  0.1188% (0.85  1.00   0.02   0.02) =   0.007%
          HB2   GLN   30 - HA    THR  118  19.70 +/- 4.10   1.911% *  0.0960% (0.69  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HA    THR  118  20.86 +/- 4.73   1.601% *  0.0863% (0.62  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    THR  118  20.76 +/- 4.32   1.802% *  0.0563% (0.40  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HA    THR  118  17.65 +/- 4.18   3.212% *  0.0194% (0.14  1.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - HA    THR  118  20.69 +/- 2.98   1.839% *  0.0220% (0.16  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    THR  118  23.95 +/- 3.72   1.084% *  0.0280% (0.20  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    THR  118  30.51 +/- 4.79   0.485% *  0.0313% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 9 structures by 1.60 A, kept.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.83, residual support = 69.7:
        T HG12  ILE  119 - HA    THR  118   5.71 +/- 0.44  72.829% * 98.7917% (0.40 10.00   6.83  69.70) =  99.931%  kept
          HB3   PHE   72 - HA    THR  118  14.08 +/- 3.71  11.745% *  0.1911% (0.78  1.00   0.02   0.02) =   0.031%
          HB2   ASP-  44 - HA    THR  118  14.08 +/- 2.29   6.502% *  0.2084% (0.85  1.00   0.02   0.02) =   0.019%
          QG    GLU-  15 - HA    THR  118  20.06 +/- 3.55   2.524% *  0.2184% (0.89  1.00   0.02   0.02) =   0.008%
          QG    GLU-  14 - HA    THR  118  21.67 +/- 3.21   1.755% *  0.2034% (0.83  1.00   0.02   0.02) =   0.005%
          QG    GLN   90 - HA    THR  118  22.82 +/- 1.35   1.240% *  0.1764% (0.72  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  27.26 +/- 4.13   0.935% *  0.1764% (0.72  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HA    THR  118  23.86 +/- 5.43   2.471% *  0.0340% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 14 structures by 1.76 A, kept.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.25, residual support = 44.0:
      O T HB    THR  118 - HA    THR  118   3.00 +/- 0.06  94.867% * 99.8099% (0.72  10.0 10.00   4.25  44.00) =  99.998%  kept
          HA    PHE   60 - HA    THR  118  10.82 +/- 1.45   2.455% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    THR  118  17.24 +/- 4.81   1.468% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HA    THR  118  20.22 +/- 5.48   0.735% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  23.44 +/- 2.05   0.213% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  23.03 +/- 3.43   0.262% *  0.0311% (0.22   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 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 0.02, residual support = 9.5:
          QD    PHE   59 - HA    THR  118   6.57 +/- 0.84  74.666% * 25.6201% (0.85   0.02  12.65) =  75.062%  kept
          HD1   TRP   27 - HA    THR  118  21.45 +/- 6.23  15.133% * 25.6201% (0.85   0.02   0.02) =  15.213%  kept
          HE21  GLN   30 - HA    THR  118  19.53 +/- 4.72   4.850% * 26.1376% (0.87   0.02   0.02) =   4.974%  kept
          HH2   TRP   49 - HA    THR  118  19.81 +/- 3.17   5.351% * 22.6222% (0.75   0.02   0.02) =   4.750%  kept
    Distance limit 3.57 A violated in 19 structures by 2.93 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.465, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   7.24 +/- 0.39  89.572% * 43.4534% (0.47   0.02   0.02) =  92.675%  kept
          HZ2   TRP   49 - HA    THR  118  20.25 +/- 2.93   5.750% * 40.2018% (0.44   0.02   0.02) =   5.504%  kept
          HE21  GLN   17 - HA    THR  118  21.98 +/- 3.98   4.678% * 16.3448% (0.18   0.02   0.02) =   1.821%  kept
    Distance limit 3.97 A violated in 20 structures by 3.25 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 7.53, residual support = 69.7:
      O   HN    ILE  119 - HA    THR  118   3.39 +/- 0.13  97.125% * 99.6357% (0.51  10.0   7.53  69.70) =  99.997%  kept
          HN    CYS   21 - HA    THR  118  20.21 +/- 3.96   0.843% *  0.1698% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LYS+  33 - HA    THR  118  21.52 +/- 4.69   0.612% *  0.0996% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    THR  118  20.29 +/- 5.06   1.139% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  24.61 +/- 2.39   0.281% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.91, residual support = 43.9:
      O   HN    THR  118 - HA    THR  118   2.89 +/- 0.03  91.576% * 96.9477% (0.51  10.0   4.92  44.00) =  99.835%  kept
          HN    GLN  116 - HA    THR  118   7.17 +/- 0.27   6.054% *  2.1464% (0.28   1.0   0.81   0.12) =   0.146%  kept
          HN    PHE   60 - HA    THR  118  10.92 +/- 1.15   2.123% *  0.7574% (0.72   1.0   0.11   0.02) =   0.018%
          HN    GLU-  15 - HA    THR  118  22.55 +/- 3.08   0.247% *  0.1485% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.387, support = 4.34, residual support = 46.0:
      O T HA    THR  118 - HB    THR  118   3.00 +/- 0.06  70.389% * 71.5584% (0.38  10.0 10.00   4.25  44.00) =  91.830%  kept
          HA    ILE  119 - HB    THR  118   4.94 +/- 0.28  16.605% * 26.6811% (0.53   1.0  1.00   5.32  69.70) =   8.077%  kept
          HD3   PRO   58 - HB    THR  118  10.77 +/- 1.90   3.253% *  1.4469% (0.49   1.0  1.00   0.31   0.02) =   0.086%
          HA2   GLY  109 - HB    THR  118  11.82 +/- 3.40   8.757% *  0.0294% (0.15   1.0  1.00   0.02   0.02) =   0.005%
          HA    VAL   75 - HB    THR  118  16.76 +/- 2.74   0.512% *  0.1457% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  20.91 +/- 2.82   0.295% *  0.0855% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  22.41 +/- 2.55   0.190% *  0.0530% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.578, support = 5.21, residual support = 46.5:
          HG13  ILE  119 - QG2   THR  118   4.58 +/- 1.37  36.260% * 70.1723% (0.62   6.30  69.70) =  65.379%  kept
          QG1   VAL  107 - QG2   THR  118   4.64 +/- 3.41  46.435% * 28.9166% (0.51   3.15   2.72) =  34.502%  kept
          QG1   VAL   24 - QG2   THR  118  14.82 +/- 4.95  13.088% *  0.2907% (0.80   0.02   0.02) =   0.098%
          HD3   LYS+ 112 - QG2   THR  118  10.55 +/- 1.36   1.644% *  0.3128% (0.87   0.02   0.02) =   0.013%
          HB3   LEU   31 - QG2   THR  118  14.57 +/- 4.10   0.878% *  0.2354% (0.65   0.02   0.02) =   0.005%
          QB    ALA   20 - QG2   THR  118  13.50 +/- 2.96   1.694% *  0.0722% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.278, support = 1.58, residual support = 4.03:
        T HB3   ASP- 105 - QG2   THR  118   7.33 +/- 5.20  28.805% * 78.4854% (0.25 10.00   1.64   4.26) =  90.072%  kept
          QB    LYS+ 106 - QG2   THR  118   8.36 +/- 3.85  11.678% * 13.9165% (0.51  1.00   1.43   3.06) =   6.475%  kept
          HB3   PRO   58 - QG2   THR  118   9.80 +/- 2.55  13.706% *  5.6036% (0.62  1.00   0.47   0.02) =   3.060%  kept
          HB    ILE   56 - QG2   THR  118   8.96 +/- 1.96  11.642% *  0.3255% (0.85  1.00   0.02   0.02) =   0.151%  kept
          HB3   LYS+  38 - QG2   THR  118  14.90 +/- 4.05   6.183% *  0.3433% (0.89  1.00   0.02   0.02) =   0.085%
          HB3   GLN   30 - QG2   THR  118  14.81 +/- 3.41   3.912% *  0.3321% (0.87  1.00   0.02   0.02) =   0.052%
          HB2   MET   92 - QG2   THR  118  13.68 +/- 1.86   2.489% *  0.2985% (0.78  1.00   0.02   0.02) =   0.030%
          HG3   PRO   68 - QG2   THR  118  12.81 +/- 3.49  10.700% *  0.0681% (0.18  1.00   0.02   0.02) =   0.029%
          QB    LYS+  33 - QG2   THR  118  15.08 +/- 3.25   2.981% *  0.1291% (0.34  1.00   0.02   0.02) =   0.015%
          HG2   ARG+  54 - QG2   THR  118  13.73 +/- 2.52   3.448% *  0.0858% (0.22  1.00   0.02   0.02) =   0.012%
          HB    ILE  103 - QG2   THR  118  12.10 +/- 4.28   2.732% *  0.0766% (0.20  1.00   0.02   0.02) =   0.008%
          HB3   GLN   90 - QG2   THR  118  18.96 +/- 1.69   0.971% *  0.1543% (0.40  1.00   0.02   0.02) =   0.006%
          QB    LYS+  81 - QG2   THR  118  18.96 +/- 2.77   0.753% *  0.1810% (0.47  1.00   0.02   0.02) =   0.005%
    Distance limit 3.55 A violated in 7 structures by 1.26 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.633, support = 3.67, residual support = 31.9:
        T HB2   ASP- 105 - QG2   THR  118   7.02 +/- 5.17  37.431% * 61.2206% (0.51 10.00   1.64   4.26) =  57.730%  kept
          HG12  ILE  119 - QG2   THR  118   4.15 +/- 0.70  43.929% * 38.1678% (0.80  1.00   6.46  69.70) =  42.239%  kept
          HB3   PHE   72 - QG2   THR  118   9.77 +/- 3.07   8.231% *  0.0642% (0.44  1.00   0.02   0.02) =   0.013%
          HB2   ASP-  44 - QG2   THR  118   9.63 +/- 2.08   4.174% *  0.0495% (0.34  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  29 - QG2   THR  118  18.17 +/- 4.15   1.349% *  0.1292% (0.88  1.00   0.02   0.02) =   0.004%
          HG3   MET   92 - QG2   THR  118  13.55 +/- 1.64   1.161% *  0.1217% (0.83  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - QG2   THR  118  16.89 +/- 2.71   0.701% *  0.0542% (0.37  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   THR  118  15.74 +/- 3.11   0.985% *  0.0367% (0.25  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   THR  118  17.45 +/- 1.48   0.473% *  0.0746% (0.51  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  16.20 +/- 4.04   0.888% *  0.0367% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QG2   THR  118  16.41 +/- 2.27   0.679% *  0.0450% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.393, support = 5.44, residual support = 54.6:
      O T HA    THR  118 - QG2   THR  118   2.68 +/- 0.20  58.979% * 40.7154% (0.34  10.0 10.00   5.44  44.00) =  58.219%  kept
        T HA    ILE  119 - QG2   THR  118   3.53 +/- 0.39  30.064% * 57.0760% (0.47   1.0 10.00   5.46  69.70) =  41.602%  kept
          HD3   PRO   58 - QG2   THR  118   9.49 +/- 1.87   3.543% *  2.0301% (0.44   1.0  1.00   0.77   0.02) =   0.174%  kept
          HA2   GLY  109 - QG2   THR  118  11.13 +/- 3.02   6.296% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - QG2   THR  118  13.53 +/- 2.32   0.618% *  0.0829% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   THR  118  17.82 +/- 2.56   0.304% *  0.0486% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  18.90 +/- 2.55   0.196% *  0.0302% (0.25   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 3300 (3.89, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.12, residual support = 44.0:
      O T HB    THR  118 - QG2   THR  118   2.17 +/- 0.01  93.614% * 99.8099% (0.72  10.0 10.00   4.12  44.00) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   7.19 +/- 1.24   3.419% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   THR  118  13.12 +/- 3.70   1.750% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QG2   THR  118  15.57 +/- 4.23   0.821% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  17.75 +/- 1.95   0.190% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  18.16 +/- 2.71   0.207% *  0.0311% (0.22   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 3301 (6.83, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 1.38, residual support = 5.28:
          HD2   HIS  122 - QG2   THR  118   3.32 +/- 0.38  87.863% * 97.4811% (0.90   1.38   5.28) =  99.855%  kept
          HE22  GLN  116 - QG2   THR  118   8.36 +/- 1.02   6.766% *  1.4086% (0.89   0.02   0.12) =   0.111%  kept
          QD    PHE   45 - QG2   THR  118  10.47 +/- 2.21   4.383% *  0.5299% (0.34   0.02   0.02) =   0.027%
          HE22  GLN   17 - QG2   THR  118  17.42 +/- 3.07   0.988% *  0.5804% (0.37   0.02   0.02) =   0.007%
    Distance limit 3.11 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.47, residual support = 12.6:
          QD    PHE   59 - QG2   THR  118   4.36 +/- 1.02  72.447% * 98.7195% (0.85   4.48  12.65) =  99.835%  kept
          HD1   TRP   27 - QG2   THR  118  15.84 +/- 5.09  16.929% *  0.4411% (0.85   0.02   0.02) =   0.104%  kept
          HH2   TRP   49 - QG2   THR  118  14.96 +/- 2.65   7.079% *  0.3895% (0.75   0.02   0.02) =   0.038%
          HE21  GLN   30 - QG2   THR  118  14.48 +/- 3.73   3.545% *  0.4500% (0.87   0.02   0.02) =   0.022%
    Distance limit 3.55 A violated in 5 structures by 0.89 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.46, residual support = 69.7:
        T QG2   THR  118 - HA    ILE  119   3.53 +/- 0.39 100.000% *100.0000% (0.57 10.00   5.46  69.70) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.511, support = 4.46, residual support = 34.7:
          QB    ALA  120 - HA    ILE  119   4.99 +/- 0.02  39.831% * 52.6470% (0.45   5.22  53.09) =  59.834%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.54 +/- 0.56  30.686% * 45.6432% (0.61   3.35   7.30) =  39.964%  kept
          HG    LEU  115 - HA    ILE  119   7.93 +/- 1.24  13.114% *  0.2017% (0.45   0.02   8.46) =   0.075%
          HB3   LEU   40 - HA    ILE  119  12.27 +/- 4.45   7.250% *  0.3090% (0.69   0.02   0.02) =   0.064%
          HG2   LYS+  65 - HA    ILE  119  13.81 +/- 2.16   2.276% *  0.3090% (0.69   0.02   0.02) =   0.020%
          HB2   LYS+  74 - HA    ILE  119  17.29 +/- 2.52   1.250% *  0.4342% (0.97   0.02   0.02) =   0.015%
          QG2   THR   26 - HA    ILE  119  18.36 +/- 3.70   1.449% *  0.3438% (0.76   0.02   0.02) =   0.014%
          QD    LYS+  66 - HA    ILE  119  12.69 +/- 3.04   4.144% *  0.1122% (0.25   0.02   0.02) =   0.013%
    Distance limit 3.95 A violated in 0 structures by 0.66 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 2.36, residual support = 24.1:
          QD    PHE   59 - HA    ILE  119   4.16 +/- 0.80  90.168% * 97.5992% (0.95   2.36  24.16) =  99.910%  kept
          HD1   TRP   27 - HA    ILE  119  20.64 +/- 5.77   4.701% *  0.8269% (0.95   0.02   0.02) =   0.044%
          HE21  GLN   30 - HA    ILE  119  18.24 +/- 4.52   2.736% *  0.8437% (0.97   0.02   0.02) =   0.026%
          HH2   TRP   49 - HA    ILE  119  18.16 +/- 3.58   2.396% *  0.7302% (0.84   0.02   0.02) =   0.020%
    Distance limit 3.36 A violated in 2 structures by 0.80 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.6, residual support = 272.2:
      O   HN    ILE  119 - HA    ILE  119   2.86 +/- 0.06  98.204% * 99.7485% (0.98  10.0   8.60 272.16) =  99.999%  kept
          HN    CYS   21 - HA    ILE  119  18.71 +/- 3.10   0.708% *  0.0850% (0.84   1.0   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ILE  119  20.03 +/- 4.46   0.506% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  24.27 +/- 2.22   0.175% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  21.02 +/- 4.46   0.406% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.325, support = 5.37, residual support = 40.9:
      O   HN    ALA  120 - HA    ILE  119   3.61 +/- 0.02  62.852% * 54.3643% (0.18  10.0   6.23  53.09) =  76.715%  kept
          HN    LEU  123 - HA    ILE  119   4.96 +/- 0.72  27.388% * 34.1511% (0.80   1.0   2.75   0.98) =  21.000%  kept
          HN    ALA  124 - HA    ILE  119   6.95 +/- 0.50   9.092% * 11.1742% (0.98   1.0   0.73   0.02) =   2.281%  kept
          HE21  GLN   17 - HA    ILE  119  19.45 +/- 3.89   0.668% *  0.3104% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.11 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 = 15.3:
          HA    GLN  116 - HB    ILE  119   2.55 +/- 0.87  92.527% * 96.4892% (0.84   2.47  15.33) =  99.956%  kept
          HA    VAL   70 - HB    ILE  119  14.41 +/- 4.40   3.210% *  0.7804% (0.84   0.02   0.02) =   0.028%
          HA    VAL   18 - HB    ILE  119  17.45 +/- 3.14   1.116% *  0.4254% (0.46   0.02   0.02) =   0.005%
          HA1   GLY   16 - HB    ILE  119  19.16 +/- 4.53   1.225% *  0.2496% (0.27   0.02   0.02) =   0.003%
          HB2   SER   37 - HB    ILE  119  20.86 +/- 4.61   0.449% *  0.5231% (0.56   0.02   0.02) =   0.003%
          HA    LYS+  33 - HB    ILE  119  23.92 +/- 4.02   0.236% *  0.5872% (0.63   0.02   0.02) =   0.002%
          HA    SER   48 - HB    ILE  119  19.79 +/- 3.11   0.838% *  0.1248% (0.13   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    ILE  119  24.87 +/- 4.89   0.209% *  0.4578% (0.49   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    ILE  119  27.21 +/- 3.25   0.191% *  0.3625% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.517, support = 5.18, residual support = 51.3:
          HN    ALA  120 - HB    ILE  119   2.98 +/- 0.31  62.192% * 80.6440% (0.53   5.35  53.09) =  96.108%  kept
          HN    LEU  123 - HB    ILE  119   6.19 +/- 1.03  10.261% *  9.7353% (0.27   1.27   0.98) =   1.914%  kept
          HE21  GLN  116 - HB    ILE  119   5.32 +/- 1.69  20.878% *  3.7154% (0.22   0.60  15.33) =   1.486%  kept
          HN    ALA  124 - HB    ILE  119   7.34 +/- 0.91   4.647% *  5.4656% (0.69   0.27   0.02) =   0.487%  kept
          HN    ALA   57 - HB    ILE  119  10.51 +/- 1.12   1.776% *  0.0984% (0.17   0.02   0.02) =   0.003%
          HE21  GLN   17 - HB    ILE  119  20.86 +/- 3.71   0.246% *  0.3414% (0.60   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 8.18, residual support = 272.2:
      O   HN    ILE  119 - HB    ILE  119   2.36 +/- 0.39  99.084% * 99.7485% (0.85  10.0   8.18 272.16) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  20.05 +/- 3.44   0.381% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  22.13 +/- 4.11   0.215% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  23.99 +/- 1.98   0.150% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  22.99 +/- 4.17   0.170% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.558, support = 3.78, residual support = 52.1:
          HA    ALA  120 - QG2   ILE  119   3.47 +/- 0.72  67.898% * 85.7738% (0.57   3.83  53.09) =  97.857%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.45 +/- 0.31  12.234% *  9.7614% (0.20   1.25   7.30) =   2.007%  kept
          HA    LYS+  65 - QG2   ILE  119  11.81 +/- 1.36   2.944% *  0.7476% (0.95   0.02   0.02) =   0.037%
          HD2   PRO   52 - QG2   ILE  119  15.25 +/- 1.99   2.414% *  0.6040% (0.76   0.02   0.02) =   0.024%
          HA2   GLY   16 - QG2   ILE  119  15.92 +/- 3.80   1.692% *  0.7087% (0.90   0.02   0.02) =   0.020%
          QB    SER   48 - QG2   ILE  119  15.79 +/- 3.72   3.694% *  0.2696% (0.34   0.02   0.02) =   0.017%
          HB    THR   94 - QG2   ILE  119  13.67 +/- 1.92   3.639% *  0.1971% (0.25   0.02   0.02) =   0.012%
          HA    SER   48 - QG2   ILE  119  16.81 +/- 3.20   1.919% *  0.2439% (0.31   0.02   0.02) =   0.008%
          QB    SER   85 - QG2   ILE  119  21.62 +/- 2.42   0.511% *  0.7087% (0.90   0.02   0.02) =   0.006%
          HA    GLN   32 - QG2   ILE  119  19.75 +/- 3.90   0.602% *  0.4474% (0.57   0.02   0.02) =   0.005%
          HA2   GLY   51 - QG2   ILE  119  15.44 +/- 1.87   1.949% *  0.1219% (0.15   0.02   0.02) =   0.004%
          HA    ALA   88 - QG2   ILE  119  22.45 +/- 2.10   0.506% *  0.4158% (0.53   0.02   0.02) =   0.004%
    Distance limit 3.66 A violated in 1 structures by 0.20 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.571, support = 5.32, residual support = 44.4:
          HN    ALA  120 - QG2   ILE  119   2.99 +/- 0.76  43.897% * 65.3009% (0.61   5.74  53.09) =  83.349%  kept
          HN    LEU  123 - QG2   ILE  119   4.35 +/- 0.76  21.118% * 21.9552% (0.31   3.79   0.98) =  13.482%  kept
          HN    ALA  124 - QG2   ILE  119   5.50 +/- 0.73   8.386% * 11.9534% (0.80   0.80   0.02) =   2.915%  kept
          HE21  GLN  116 - QG2   ILE  119   4.82 +/- 1.68  17.296% *  0.4586% (0.25   0.10  15.33) =   0.231%  kept
          HN    ALA   57 - QG2   ILE  119   8.86 +/- 1.51   8.646% *  0.0743% (0.20   0.02   0.02) =   0.019%
          HE21  GLN   17 - QG2   ILE  119  16.65 +/- 3.55   0.656% *  0.2577% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.87, residual support = 272.1:
          HN    ILE  119 - QG2   ILE  119   3.34 +/- 0.45  94.678% * 99.2743% (0.80   7.87 272.16) =  99.991%  kept
          HN    CYS   21 - QG2   ILE  119  16.53 +/- 3.03   3.870% *  0.1074% (0.34   0.02   0.02) =   0.004%
          HN    SER   37 - QG2   ILE  119  18.31 +/- 3.45   0.985% *  0.3143% (1.00   0.02   0.02) =   0.003%
          HN    ILE   89 - QG2   ILE  119  20.82 +/- 2.06   0.467% *  0.3040% (0.97   0.02   0.02) =   0.002%
    Distance limit 3.97 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 = 0.839, support = 1.7, residual support = 7.07:
          QD2   LEU  115 - HG12  ILE  119   3.87 +/- 1.90  52.913% * 74.8151% (0.90   1.87   8.46) =  82.561%  kept
          QD1   LEU   63 - HG12  ILE  119   5.78 +/- 2.86  37.441% * 22.1830% (0.57   0.88   0.50) =  17.322%  kept
          QD1   LEU   73 - HG12  ILE  119  13.71 +/- 3.95   6.548% *  0.5044% (0.57   0.02   0.02) =   0.069%
          QD1   LEU  104 - HG12  ILE  119  13.46 +/- 4.12   1.990% *  0.8909% (1.00   0.02   0.02) =   0.037%
          QD2   LEU   80 - HG12  ILE  119  19.14 +/- 2.72   0.301% *  0.8224% (0.92   0.02   0.02) =   0.005%
          QG1   VAL   83 - HG12  ILE  119  18.90 +/- 2.52   0.323% *  0.6469% (0.73   0.02   0.02) =   0.004%
          QG2   ILE   89 - HG12  ILE  119  16.72 +/- 1.89   0.484% *  0.1375% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.855, support = 2.66, residual support = 7.47:
          QD2   LEU  115 - HG13  ILE  119   3.62 +/- 1.63  56.824% * 80.3791% (0.90   2.90   8.46) =  87.538%  kept
          QD1   LEU   63 - HG13  ILE  119   5.81 +/- 2.68  36.918% * 17.5361% (0.57   1.00   0.50) =  12.408%  kept
          QD1   LEU  104 - HG13  ILE  119  13.89 +/- 3.58   2.551% *  0.6187% (1.00   0.02   0.02) =   0.030%
          QD1   LEU   73 - HG13  ILE  119  13.82 +/- 3.75   2.420% *  0.3503% (0.57   0.02   0.02) =   0.016%
          QD2   LEU   80 - HG13  ILE  119  19.29 +/- 2.49   0.372% *  0.5711% (0.92   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG13  ILE  119  19.01 +/- 2.41   0.337% *  0.4493% (0.73   0.02   0.02) =   0.003%
          QG2   ILE   89 - HG13  ILE  119  16.72 +/- 2.14   0.578% *  0.0955% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.04 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   9.51 +/- 3.26 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.72 A violated in 17 structures by 5.82 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.78, residual support = 24.2:
          QD    PHE   59 - HG13  ILE  119   2.72 +/- 0.54  98.190% * 98.4867% (0.95   3.78  24.16) =  99.991%  kept
          HH2   TRP   49 - HG13  ILE  119  16.57 +/- 3.15   0.706% *  0.4603% (0.84   0.02   0.02) =   0.003%
          HD1   TRP   27 - HG13  ILE  119  20.68 +/- 5.20   0.592% *  0.5213% (0.95   0.02   0.02) =   0.003%
          HE21  GLN   30 - HG13  ILE  119  18.67 +/- 4.20   0.512% *  0.5318% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.15, residual support = 272.1:
          HN    ILE  119 - HG13  ILE  119   3.45 +/- 0.76  96.123% * 99.2987% (0.80   8.15 272.16) =  99.993%  kept
          HN    CYS   21 - HG13  ILE  119  18.69 +/- 3.43   2.653% *  0.1038% (0.34   0.02   0.02) =   0.003%
          HN    SER   37 - HG13  ILE  119  21.20 +/- 4.17   0.771% *  0.3037% (1.00   0.02   0.02) =   0.002%
          HN    ILE   89 - HG13  ILE  119  22.80 +/- 1.87   0.452% *  0.2938% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.32, residual support = 24.2:
          QD    PHE   59 - HG12  ILE  119   3.03 +/- 0.78  95.915% * 99.1051% (0.84   4.32  24.16) =  99.988%  kept
          HD1   TRP   27 - HG12  ILE  119  20.55 +/- 5.50   1.211% *  0.4584% (0.84   0.02   0.02) =   0.006%
          HH2   TRP   49 - HG12  ILE  119  16.51 +/- 3.30   1.877% *  0.1694% (0.31   0.02   0.02) =   0.003%
          HE21  GLN   30 - HG12  ILE  119  18.54 +/- 4.35   0.997% *  0.2671% (0.49   0.02   0.02) =   0.003%
    Distance limit 3.58 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.6, residual support = 272.1:
          HN    ILE  119 - HG12  ILE  119   3.09 +/- 0.71  97.220% * 99.3350% (0.80   8.60 272.16) =  99.995%  kept
          HN    SER   37 - HG12  ILE  119  20.95 +/- 4.34   0.738% *  0.2880% (1.00   0.02   0.02) =   0.002%
          HN    CYS   21 - HG12  ILE  119  18.66 +/- 3.29   1.694% *  0.0985% (0.34   0.02   0.02) =   0.002%
          HN    ILE   89 - HG12  ILE  119  22.80 +/- 1.76   0.348% *  0.2785% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.05 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   7.99 +/- 3.11 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.17 A violated in 16 structures by 4.87 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 2.96, residual support = 5.26:
          QD2   LEU  115 - QD1   ILE  119   3.37 +/- 1.55  51.016% * 50.8844% (0.40  1.00   4.30   8.46) =  59.855%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.91 +/- 2.35  40.097% * 43.1127% (0.15 10.00   0.97   0.50) =  39.859%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.91 +/- 3.30   1.664% *  3.9556% (0.66 10.00   0.02   0.02) =   0.152%  kept
        T QD1   LEU   73 - QD1   ILE  119  11.66 +/- 3.18   5.983% *  0.8885% (0.15 10.00   0.02   0.02) =   0.123%  kept
          QG1   VAL   83 - QD1   ILE  119  16.06 +/- 1.91   0.373% *  0.5746% (0.96  1.00   0.02   0.02) =   0.005%
          QG2   ILE   89 - QD1   ILE  119  14.20 +/- 1.73   0.552% *  0.3260% (0.55  1.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - QD1   ILE  119  16.20 +/- 2.03   0.314% *  0.2582% (0.43  1.00   0.02   0.02) =   0.002%
    Distance limit 2.64 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.88, residual support = 15.3:
        T HA    GLN  116 - QD1   ILE  119   3.10 +/- 0.95  75.632% * 99.4587% (0.51 10.00   3.88  15.33) =  99.968%  kept
          HA    VAL   70 - QD1   ILE  119  11.17 +/- 3.85  15.702% *  0.0995% (0.51  1.00   0.02   0.02) =   0.021%
          HB2   SER   37 - QD1   ILE  119  16.82 +/- 4.00   2.010% *  0.1886% (0.96  1.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - QD1   ILE  119  15.15 +/- 4.09   1.917% *  0.1514% (0.77  1.00   0.02   0.02) =   0.004%
          HA    VAL   18 - QD1   ILE  119  13.51 +/- 3.06   2.766% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QD1   ILE  119  19.27 +/- 3.72   0.965% *  0.0471% (0.24  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QD1   ILE  119  19.91 +/- 4.28   1.007% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.32 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.813, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   9.59 +/- 3.18  48.386% * 81.6578% (0.96 10.00   0.02   0.02) =  80.671%  kept
        T QD    PHE   72 - QD1   ILE  119   9.24 +/- 2.66  51.614% * 18.3422% (0.21 10.00   0.02   0.02) =  19.329%  kept
    Distance limit 3.40 A violated in 17 structures by 4.74 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.597, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.90 +/- 1.45  52.989% * 23.3518% (0.47   0.02   0.02) =  44.392%  kept
          QE    PHE   72 - QD1   ILE  119   8.57 +/- 2.81  37.144% * 29.0981% (0.59   0.02   0.02) =  38.775%  kept
          HN    ALA   47 - QD1   ILE  119  12.86 +/- 1.36   9.868% * 47.5501% (0.96   0.02   0.02) =  16.833%  kept
    Distance limit 3.46 A violated in 17 structures by 2.66 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.862, support = 1.64, residual support = 15.8:
          HN    HIS  122 - QD1   ILE  119   5.59 +/- 1.10  40.223% * 98.2868% (0.87   1.65  15.79) =  99.303%  kept
          HN    PHE   59 - QD1   ILE  119   4.53 +/- 1.17  59.006% *  0.4541% (0.33   0.02  24.16) =   0.673%  kept
          HH2   TRP   87 - QD1   ILE  119  21.05 +/- 4.08   0.771% *  1.2592% (0.91   0.02   0.02) =   0.024%
    Distance limit 3.60 A violated in 0 structures by 0.42 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.02, residual support = 272.1:
          HN    ILE  119 - QD1   ILE  119   3.99 +/- 0.32  87.000% * 99.2869% (0.95   7.02 272.16) =  99.969%  kept
          HN    CYS   21 - QD1   ILE  119  15.62 +/- 3.00   8.378% *  0.2410% (0.81   0.02   0.02) =   0.023%
          HN    SER   37 - QD1   ILE  119  17.91 +/- 3.71   1.874% *  0.1866% (0.62   0.02   0.02) =   0.004%
          HN    ILE   89 - QD1   ILE  119  19.33 +/- 1.75   0.845% *  0.2410% (0.81   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE  119  18.42 +/- 3.77   1.903% *  0.0445% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.28 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.31, residual support = 28.4:
        T QD1   LEU  123 - HA    ALA  120   2.62 +/- 0.69  90.125% * 99.1996% (0.45 10.00   5.31  28.39) =  99.984%  kept
          QG1   VAL   70 - HA    ALA  120  11.30 +/- 4.70   4.070% *  0.1520% (0.69  1.00   0.02   0.02) =   0.007%
          HB3   LEU   63 - HA    ALA  120  11.89 +/- 2.98   2.032% *  0.2169% (0.98  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HA    ALA  120  14.59 +/- 3.89   1.674% *  0.0992% (0.45  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HA    ALA  120  15.51 +/- 2.24   0.748% *  0.1772% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    ALA  120  15.91 +/- 2.36   0.639% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  16.35 +/- 6.42   0.711% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.36, residual support = 14.9:
          HN    LEU  123 - HA    ALA  120   3.11 +/- 0.31  27.012% * 42.5991% (0.80   1.0   6.14  28.39) =  35.594%  kept
      O   HN    ALA  120 - HA    ALA  120   2.76 +/- 0.05  35.599% * 30.3685% (0.18  10.0   3.58  13.15) =  33.441%  kept
          HN    ALA  124 - HA    ALA  120   2.83 +/- 0.55  37.271% * 26.8590% (0.98   1.0   3.16   1.42) =  30.965%  kept
          HE21  GLN   17 - HA    ALA  120  21.18 +/- 4.20   0.118% *  0.1734% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.29 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 = 312.5:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.74 +/- 0.06  82.201% * 99.7700% (0.45  10.0   6.43 312.54) =  99.997%  kept
          HZ2   TRP   49 - HA    LYS+  65  17.19 +/- 7.65  17.089% *  0.0132% (0.06   1.0   0.02   0.02) =   0.003%
          HZ2   TRP   49 - HA    LYS+ 121  24.09 +/- 3.36   0.150% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  16.99 +/- 2.21   0.560% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.909, support = 3.66, residual support = 7.24:
          HA    THR  118 - HB2   LYS+ 121   3.26 +/- 0.88  68.663% * 36.0626% (0.87   2.94   7.19) =  57.116%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.69 +/- 0.54  29.402% * 63.2203% (0.97   4.62   7.30) =  42.877%  kept
          HA2   GLY  109 - HB2   LYS+ 121  16.73 +/- 3.48   0.967% *  0.1604% (0.57   0.02   0.02) =   0.004%
          HB2   TRP   49 - HB2   LYS+ 121  24.99 +/- 3.00   0.234% *  0.2615% (0.92   0.02   0.02) =   0.001%
          HA    ALA   84 - HB2   LYS+ 121  26.91 +/- 2.87   0.206% *  0.2165% (0.76   0.02   0.02) =   0.001%
          HA    VAL   75 - HB2   LYS+ 121  19.83 +/- 2.93   0.528% *  0.0788% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.731, support = 2.77, residual support = 7.2:
        T HA    THR  118 - HB3   LYS+ 121   3.71 +/- 0.55  71.341% * 79.9685% (0.72 10.00   2.61   7.19) =  91.748%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.53 +/- 0.61  25.910% * 19.7981% (0.81  1.00   4.45   7.30) =   8.250%  kept
          HA2   GLY  109 - HB3   LYS+ 121  17.02 +/- 3.23   1.560% *  0.0522% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  25.56 +/- 2.95   0.374% *  0.0851% (0.77  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB3   LYS+ 121  27.28 +/- 3.02   0.219% *  0.0705% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  20.10 +/- 3.18   0.597% *  0.0256% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.41, residual support = 312.5:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.87 +/- 0.52  99.660% * 99.9582% (0.75  10.0   6.41 312.54) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  22.50 +/- 3.35   0.340% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.43, residual support = 55.1:
          HN    HIS  122 - HB3   LYS+ 121   3.66 +/- 0.59  96.378% * 99.5559% (0.75   6.43  55.07) =  99.995%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.74 +/- 1.52   3.143% *  0.1177% (0.28   0.02   0.02) =   0.004%
          HH2   TRP   87 - HB3   LYS+ 121  27.53 +/- 6.56   0.479% *  0.3264% (0.79   0.02   0.02) =   0.002%
    Distance limit 3.90 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 = 7.67, residual support = 55.0:
          HN    HIS  122 - HB2   LYS+ 121   3.17 +/- 0.42  83.175% * 99.2640% (0.41   7.67  55.07) =  99.956%  kept
          HD1   TRP   27 - HB2   LYS+ 121  21.71 +/- 6.83   9.721% *  0.2148% (0.34   0.02   0.02) =   0.025%
          QD    PHE   59 - HB2   LYS+ 121   7.78 +/- 0.94   6.807% *  0.2148% (0.34   0.02   0.02) =   0.018%
          HH2   TRP   87 - HB2   LYS+ 121  27.23 +/- 6.33   0.298% *  0.3065% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.93, residual support = 312.5:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.44 +/- 0.45  99.814% * 99.9061% (0.92  10.0   6.93 312.54) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.02 +/- 3.42   0.186% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.42, support = 1.83, residual support = 11.7:
          QG2   ILE  119 - HB2   HIS  122   5.37 +/- 1.34  37.540% * 66.9283% (0.53   1.76  15.79) =  67.545%  kept
          QD1   LEU   40 - HB2   HIS  122   7.42 +/- 5.64  41.905% * 28.5232% (0.20   1.99   3.08) =  32.134%  kept
          QD2   LEU   71 - HB2   HIS  122  10.14 +/- 4.24  14.536% *  0.3607% (0.25   0.02   0.02) =   0.141%  kept
          QD1   ILE  103 - HB2   HIS  122  16.17 +/- 5.23   1.038% *  3.5931% (0.34   0.15   0.02) =   0.100%  kept
          QD2   LEU   67 - HB2   HIS  122  10.21 +/- 3.60   4.980% *  0.5947% (0.41   0.02   0.02) =   0.080%
    Distance limit 3.62 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.498, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  12.98 +/- 6.93  19.570% * 20.0916% (0.69   0.02   0.02) =  37.707%  kept
          QD2   LEU  115 - HB2   HIS  122   9.52 +/- 1.95  26.080% * 12.0248% (0.41   0.02   0.02) =  30.075%  kept
          QD1   LEU   63 - HB2   HIS  122   7.84 +/- 2.46  35.959% *  4.5130% (0.15   0.02   0.02) =  15.563%  kept
          QD1   LEU   73 - HB2   HIS  122  13.94 +/- 3.61  12.139% *  4.5130% (0.15   0.02   0.02) =   5.254%  kept
          QG1   VAL   83 - HB2   HIS  122  21.69 +/- 3.46   1.782% * 29.1845% (1.00   0.02   0.02) =   4.988%  kept
          QG2   ILE   89 - HB2   HIS  122  20.60 +/- 2.24   2.391% * 16.5597% (0.57   0.02   0.02) =   3.798%  kept
          QD2   LEU   80 - HB2   HIS  122  21.27 +/- 3.70   2.079% * 13.1134% (0.45   0.02   0.02) =   2.615%  kept
    Distance limit 4.19 A violated in 14 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 = 3.9, residual support = 76.1:
      O   HD2   HIS  122 - HB2   HIS  122   3.76 +/- 0.41  90.407% * 99.8219% (1.00  10.0   3.90  76.08) =  99.992%  kept
          HE22  GLN  116 - HB2   HIS  122  11.58 +/- 2.51   6.028% *  0.0996% (1.00   1.0   0.02   0.02) =   0.007%
          HE22  GLN   17 - HB2   HIS  122  17.98 +/- 4.70   1.984% *  0.0410% (0.41   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HB2   HIS  122  16.65 +/- 3.09   1.582% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.34 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 = 5.97, residual support = 76.0:
      O   HN    HIS  122 - HB2   HIS  122   3.42 +/- 0.41  86.665% * 98.8426% (0.41  10.0   5.98  76.08) =  99.881%  kept
          QD    PHE   59 - HB2   HIS  122   7.89 +/- 1.34  10.402% *  0.9584% (0.34   1.0   0.23   0.02) =   0.116%  kept
          HD1   TRP   27 - HB2   HIS  122  20.63 +/- 6.07   2.586% *  0.0820% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   HIS  122  28.40 +/- 5.99   0.347% *  0.1170% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 76.1:
      O   HD2   HIS  122 - HB3   HIS  122   3.05 +/- 0.37  93.648% * 99.8219% (1.00  10.0   4.31  76.08) =  99.994%  kept
          HE22  GLN  116 - HB3   HIS  122  10.79 +/- 2.88   4.843% *  0.0996% (1.00   1.0   0.02   0.02) =   0.005%
          HE22  GLN   17 - HB3   HIS  122  18.60 +/- 4.60   0.726% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  16.33 +/- 3.38   0.783% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 6.63, residual support = 76.1:
      O   HN    HIS  122 - HB3   HIS  122   2.73 +/- 0.45  97.447% * 99.8567% (0.90  10.0   6.63  76.08) =  99.999%  kept
          HN    PHE   59 - HB3   HIS  122  10.94 +/- 2.33   2.391% *  0.0380% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB3   HIS  122  28.06 +/- 5.90   0.162% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.351, support = 1.13, residual support = 8.98:
        T QD1   LEU   40 - HB3   HIS  122   7.75 +/- 5.60  34.530% * 56.1550% (0.20 10.00   0.61   3.08) =  53.288%  kept
          QG2   ILE  119 - HB3   HIS  122   4.72 +/- 1.50  39.429% * 42.9083% (0.53  1.00   1.74  15.79) =  46.495%  kept
          QD2   LEU   67 - HB3   HIS  122  10.58 +/- 3.77  11.250% *  0.3845% (0.41  1.00   0.02   0.02) =   0.119%  kept
          QD2   LEU   71 - HB3   HIS  122  10.60 +/- 4.21  13.343% *  0.2332% (0.25  1.00   0.02   0.02) =   0.086%
          QD1   ILE  103 - HB3   HIS  122  15.82 +/- 5.48   1.448% *  0.3190% (0.34  1.00   0.02   0.02) =   0.013%
    Distance limit 3.70 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 3.19, residual support = 27.4:
          HA    ALA  120 - HG    LEU  123   3.87 +/- 0.83  76.182% * 76.2215% (0.68  1.00   3.26  28.39) =  96.173%  kept
          HA    LYS+ 121 - HG    LEU  123   7.64 +/- 0.55  11.248% * 20.1485% (0.47  1.00   1.24   2.35) =   3.754%  kept
        T HD2   PRO   52 - HG    LEU  123  21.79 +/- 2.67   0.779% *  1.1753% (0.17 10.00   0.02   0.02) =   0.015%
          HA2   GLY   16 - HG    LEU  123  18.01 +/- 5.76   1.883% *  0.4227% (0.62  1.00   0.02   0.02) =   0.013%
          HA    LYS+  65 - HG    LEU  123  15.48 +/- 2.52   1.966% *  0.3937% (0.57  1.00   0.02   0.02) =   0.013%
          QB    SER  117 - HG    LEU  123  10.31 +/- 0.62   4.700% *  0.1608% (0.23  1.00   0.02   0.02) =   0.013%
          QB    SER   48 - HG    LEU  123  21.77 +/- 4.82   1.304% *  0.4088% (0.60  1.00   0.02   0.02) =   0.009%
          HB    THR   94 - HG    LEU  123  19.92 +/- 1.85   0.764% *  0.3602% (0.52  1.00   0.02   0.02) =   0.005%
          HA2   GLY   51 - HG    LEU  123  21.73 +/- 2.95   0.939% *  0.2859% (0.42  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - HG    LEU  123  28.92 +/- 2.86   0.235% *  0.4227% (0.62  1.00   0.02   0.02) =   0.002%
    Distance limit 4.20 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.81, residual support = 204.8:
          HN    LEU  123 - HG    LEU  123   3.63 +/- 0.27  97.793% * 99.5543% (0.36   5.81 204.81) =  99.996%  kept
          HZ2   TRP   49 - HG    LEU  123  22.30 +/- 4.41   0.667% *  0.3169% (0.33   0.02   0.02) =   0.002%
          HE21  GLN   17 - HG    LEU  123  19.56 +/- 5.16   1.539% *  0.1288% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.979, support = 3.23, residual support = 27.4:
          HA    ALA  120 - HB3   LEU  123   3.78 +/- 0.59  77.773% * 79.0162% (0.99   3.31  28.39) =  96.186%  kept
          HA    LYS+ 121 - HB3   LEU  123   7.06 +/- 0.63  13.133% * 18.3573% (0.69   1.11   2.35) =   3.773%  kept
          HA    LYS+  65 - HB3   LEU  123  16.80 +/- 3.05   1.562% *  0.4020% (0.84   0.02   0.02) =   0.010%
          QB    SER  117 - HB3   LEU  123  10.65 +/- 0.58   3.733% *  0.1642% (0.34   0.02   0.02) =   0.010%
          HA2   GLY   16 - HB3   LEU  123  18.59 +/- 5.63   1.395% *  0.4316% (0.90   0.02   0.02) =   0.009%
          QB    SER   48 - HB3   LEU  123  23.11 +/- 4.65   0.610% *  0.4174% (0.87   0.02   0.02) =   0.004%
          HB    THR   94 - HB3   LEU  123  21.20 +/- 2.08   0.526% *  0.3678% (0.76   0.02   0.02) =   0.003%
          HA2   GLY   51 - HB3   LEU  123  23.21 +/- 2.82   0.544% *  0.2919% (0.61   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   LEU  123  30.08 +/- 3.36   0.230% *  0.4316% (0.90   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   LEU  123  23.25 +/- 2.64   0.493% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.903, support = 5.57, residual support = 168.9:
      O   HN    LEU  123 - HB3   LEU  123   3.54 +/- 0.30  36.218% * 88.3957% (0.98  10.0   5.81 204.81) =  81.415%  kept
          HN    ALA  124 - HB3   LEU  123   2.90 +/- 0.57  63.315% * 11.5424% (0.57   1.0   4.52  11.54) =  18.584%  kept
          HE21  GLN   17 - HB3   LEU  123  20.41 +/- 5.25   0.467% *  0.0619% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.924, support = 3.11, residual support = 22.7:
          HA    ALA  120 - HB2   LEU  123   2.45 +/- 0.71  85.730% * 27.6855% (0.99  1.00   3.61  28.39) =  77.976%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.87 +/- 0.45   9.520% * 70.3071% (0.69 10.00   1.32   2.35) =  21.990%  kept
        T HA    LYS+  65 - HB2   LEU  123  16.58 +/- 2.70   0.514% *  1.2922% (0.84 10.00   0.02   0.02) =   0.022%
          HA2   GLY   16 - HB2   LEU  123  18.65 +/- 5.26   1.165% *  0.1387% (0.90  1.00   0.02   0.02) =   0.005%
          QB    SER  117 - HB2   LEU  123   9.39 +/- 0.62   2.167% *  0.0528% (0.34  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - HB2   LEU  123  20.11 +/- 2.06   0.257% *  0.1182% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   LEU  123  22.52 +/- 4.59   0.192% *  0.1342% (0.87  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU  123  29.25 +/- 3.20   0.132% *  0.1387% (0.90  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LEU  123  22.73 +/- 2.84   0.156% *  0.0938% (0.61  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  22.57 +/- 2.62   0.167% *  0.0386% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.927, support = 5.99, residual support = 179.8:
      O   HN    LEU  123 - HB2   LEU  123   2.50 +/- 0.37  45.081% * 89.0332% (0.98  10.0   6.25 204.81) =  87.053%  kept
          HN    ALA  124 - HB2   LEU  123   2.34 +/- 0.44  54.744% * 10.9044% (0.57   1.0   4.24  11.54) =  12.947%  kept
          HE21  GLN   17 - HB2   LEU  123  20.47 +/- 4.84   0.175% *  0.0624% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.563, support = 5.29, residual support = 28.2:
        T HA    ALA  120 - QD1   LEU  123   2.62 +/- 0.69  82.008% * 93.4562% (0.57 10.00   5.31  28.39) =  99.216%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.65 +/- 0.48  11.577% *  5.1527% (0.20  1.00   3.15   2.35) =   0.772%  kept
        T HA    SER   48 - QD1   LEU  123  18.65 +/- 3.17   0.686% *  0.5095% (0.31 10.00   0.02   0.02) =   0.005%
          HA    LYS+  65 - QD1   LEU  123  12.27 +/- 1.78   1.302% *  0.1562% (0.95  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QD1   LEU  123  14.84 +/- 4.22   1.098% *  0.1480% (0.90  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - QD1   LEU  123  17.38 +/- 3.77   1.302% *  0.0563% (0.34  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD1   LEU  123  17.36 +/- 2.04   0.421% *  0.1262% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QD1   LEU  123  19.63 +/- 4.59   0.302% *  0.0935% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  23.29 +/- 2.58   0.160% *  0.1480% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.63 +/- 1.91   0.518% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  24.57 +/- 2.02   0.152% *  0.0868% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  17.39 +/- 2.10   0.474% *  0.0255% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.59, support = 1.85, residual support = 9.16:
      O   HN    ALA  124 - QB    ALA  124   2.44 +/- 0.36  80.883% * 78.9633% (0.57  10.0   1.79   9.01) =  94.200%  kept
          HN    LEU  123 - QB    ALA  124   4.33 +/- 0.46  18.787% * 20.9297% (0.98   1.0   2.74  11.54) =   5.799%  kept
          HE21  GLN   17 - QB    ALA  124  19.03 +/- 4.15   0.330% *  0.1070% (0.69   1.0   0.02   0.02) =   0.001%
    Distance limit 3.45 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 = 0.976, support = 1.81, residual support = 9.06:
      O   HN    ALA  124 - HA    ALA  124   2.64 +/- 0.29  78.616% * 88.7297% (0.98  10.0   1.79   9.01) =  97.867%  kept
          HN    LEU  123 - HA    ALA  124   4.99 +/- 0.41  13.667% * 11.1169% (0.80   1.0   2.75  11.54) =   2.132%  kept
          HN    ALA  120 - HA    ALA  124   7.53 +/- 0.70   3.523% *  0.0177% (0.18   1.0   0.02   1.42) =   0.001%
          HE21  GLN   17 - HA    ALA  124  22.32 +/- 5.02   0.255% *  0.1011% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  13.90 +/- 3.66   1.908% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  18.80 +/- 5.05   1.007% *  0.0094% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  20.87 +/- 5.13   0.710% *  0.0115% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  20.32 +/- 3.74   0.314% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.868, support = 5.45, residual support = 132.5:
      O   HN    LEU  123 - HA    LEU  123   2.84 +/- 0.09  64.198% * 44.9320% (0.80  10.0   6.20 204.81) =  62.575%  kept
      O   HN    ALA  124 - HA    LEU  123   3.61 +/- 0.02  31.364% * 55.0021% (0.98  10.0   4.21  11.54) =  37.423%  kept
          HN    ALA  120 - HA    LEU  123   7.23 +/- 0.29   3.956% *  0.0098% (0.18   1.0   0.02  28.39) =   0.001%
          HE21  GLN   17 - HA    LEU  123  19.14 +/- 5.39   0.482% *  0.0561% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.26 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  16.30 +/- 5.91 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.38 A violated in 20 structures by 12.93 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 = 23.0:
      O   HN    ILE  103 - HA    LYS+ 102   2.33 +/- 0.18  99.056% * 99.7350% (0.69  10.0   5.98  23.01) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  24.04 +/- 4.54   0.144% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  23.06 +/- 5.32   0.153% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.85 +/- 5.65   0.445% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.11 +/- 0.85   0.202% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 14.8:
      O   HN    PHE   95 - HA    THR   94   2.28 +/- 0.13 100.000% *100.0000% (0.73  10.0   3.16  14.82) = 100.000%  kept
    Distance limit 2.53 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 = 5.84, residual support = 85.0:
      O   HN    LEU   80 - HB2   LEU   80   3.04 +/- 0.62  97.396% * 99.7811% (1.00  10.0   5.84  84.97) =  99.998%  kept
          HN    ALA   34 - HB2   LEU   80  20.96 +/- 4.72   0.844% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   80  18.30 +/- 3.01   0.669% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  20.65 +/- 5.32   1.090% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.31, residual support = 85.0:
      O   HN    LEU   80 - HB3   LEU   80   3.10 +/- 0.43  98.264% * 99.7811% (1.00  10.0   6.31  84.97) =  99.999%  kept
          HN    CYS   53 - HB3   LEU   80  18.03 +/- 2.91   0.742% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    ALA   34 - HB3   LEU   80  21.67 +/- 4.98   0.454% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  21.43 +/- 5.50   0.541% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.33, residual support = 84.7:
      O   HA    LEU   80 - HB3   LEU   80   2.78 +/- 0.22  84.154% * 96.4241% (0.98  10.0   5.35  84.97) =  99.636%  kept
          HA    ASP-  78 - HB3   LEU   80   6.55 +/- 0.78   8.710% *  3.3358% (0.61   1.0   1.12   6.91) =   0.357%  kept
          HA    THR   23 - HB3   LEU   80  16.28 +/- 8.80   5.080% *  0.0882% (0.90   1.0   0.02   0.61) =   0.006%
          HB    THR   23 - HB3   LEU   80  18.22 +/- 8.60   1.756% *  0.0882% (0.90   1.0   0.02   0.61) =   0.002%
          HA    ASP- 105 - HB3   LEU   80  21.43 +/- 4.53   0.300% *  0.0636% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.45, support = 4.31, residual support = 84.9:
      O   QD2   LEU   80 - HB3   LEU   80   2.96 +/- 0.37  37.721% * 77.3053% (0.57  10.0  1.00   4.13  84.97) =  73.048%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.47 +/- 0.38  58.043% * 18.4793% (0.14  10.0  1.00   4.81  84.97) =  26.869%  kept
        T QD1   LEU   73 - HB3   LEU   80  12.26 +/- 3.62   1.183% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.037%
        T QD1   LEU   63 - HB3   LEU   80  15.80 +/- 3.56   0.689% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.022%
        T QD2   LEU   63 - HB3   LEU   80  16.07 +/- 3.38   0.770% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.021%
        T QD1   LEU  104 - HB3   LEU   80  19.34 +/- 3.42   0.143% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HB3   LEU   80  14.12 +/- 3.72   0.661% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   80  17.74 +/- 2.18   0.183% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  13.83 +/- 3.78   0.606% *  0.0185% (0.14   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.9, residual support = 84.6:
      O   HA    LEU   80 - HG    LEU   80   3.34 +/- 0.60  58.697% * 96.7021% (0.63  10.0   4.92  84.97) =  99.587%  kept
          HA    ASP-  78 - HG    LEU   80   7.90 +/- 1.18   8.818% *  2.4652% (0.39   1.0   0.82   6.91) =   0.381%  kept
          HA    THR   23 - HG    LEU   80  15.66 +/- 9.36   8.856% *  0.0885% (0.58   1.0   0.02   0.61) =   0.014%
          HB    THR   23 - HG    LEU   80  17.48 +/- 9.17   2.527% *  0.0885% (0.58   1.0   0.02   0.61) =   0.004%
          HA    THR   23 - HG    LEU   73  10.42 +/- 2.83   4.659% *  0.0351% (0.23   1.0   0.02   0.46) =   0.003%
          HA    ASP- 105 - HG    LEU   40  12.54 +/- 2.77   2.202% *  0.0480% (0.31   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HG    LEU   73  11.55 +/- 2.75   2.946% *  0.0351% (0.23   1.0   0.02   0.46) =   0.002%
          HB    THR   23 - HG12  ILE   19  12.78 +/- 1.84   1.777% *  0.0301% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG12  ILE   19  21.18 +/- 7.03   1.502% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  12.63 +/- 1.22   1.494% *  0.0301% (0.20   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   73  15.65 +/- 3.52   0.984% *  0.0384% (0.25   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  19.23 +/- 2.74   0.516% *  0.0666% (0.44   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   80  21.73 +/- 4.87   0.538% *  0.0638% (0.42   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HG    LEU   40  20.08 +/- 2.71   0.433% *  0.0666% (0.44   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HG12  ILE   19  21.39 +/- 6.32   1.415% *  0.0204% (0.13   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HG    LEU   40  21.23 +/- 3.27   0.378% *  0.0728% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  15.89 +/- 1.75   0.838% *  0.0237% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  17.77 +/- 4.00   0.687% *  0.0253% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  21.37 +/- 2.45   0.359% *  0.0450% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.19 +/- 2.89   0.372% *  0.0217% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.192, support = 5.23, residual support = 147.4:
          HN    LEU   73 - HG    LEU   73   2.89 +/- 0.83  36.054% * 41.0952% (0.20   5.69 173.26) =  70.779%  kept
          HN    ILE   19 - HG12  ILE   19   2.80 +/- 0.80  37.700% *  7.8596% (0.03   6.28 172.63) =  14.155%  kept
          HN    VAL   42 - HG    LEU   40   5.09 +/- 1.10   7.531% * 32.2608% (0.37   2.35   1.71) =  11.607%  kept
          HN    VAL   42 - HG    LEU   73   7.45 +/- 2.71   4.592% *  9.0899% (0.20   1.26   1.04) =   1.994%  kept
          HN    LEU   73 - HG12  ILE   19   7.57 +/- 4.65   4.702% *  3.9589% (0.17   0.64   4.43) =   0.889%  kept
          HN    ILE   19 - HG    LEU   73   8.28 +/- 5.14   3.049% *  3.4891% (0.04   2.39   4.43) =   0.508%  kept
          HN    LEU   73 - HG    LEU   40   8.69 +/- 2.35   2.027% *  0.2741% (0.37   0.02   0.02) =   0.027%
          HN    LYS+ 106 - HG    LEU   80  20.85 +/- 4.85   0.613% *  0.3981% (0.54   0.02   0.02) =   0.012%
          HN    VAL   42 - HG12  ILE   19  10.07 +/- 4.00   1.270% *  0.1240% (0.17   0.02   0.02) =   0.008%
          HN    VAL   42 - HG    LEU   80  15.73 +/- 4.18   0.337% *  0.3642% (0.49   0.02   0.02) =   0.006%
          HN    LEU   73 - HG    LEU   80  15.08 +/- 3.79   0.333% *  0.3642% (0.49   0.02   0.02) =   0.006%
          HN    LYS+ 106 - HG    LEU   40  13.01 +/- 2.16   0.364% *  0.2995% (0.41   0.02   0.02) =   0.005%
          HN    ILE   19 - HG    LEU   40  11.33 +/- 2.94   0.950% *  0.0553% (0.08   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   73  17.48 +/- 3.83   0.159% *  0.1580% (0.21   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   80  19.61 +/- 8.11   0.236% *  0.0735% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.50 +/- 2.18   0.083% *  0.1355% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.74 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 = 5.96, residual support = 172.2:
      O T HA    LYS+  99 - HB3   LYS+  99   2.68 +/- 0.34  80.327% * 93.1459% (0.76  10.0 10.00   6.01 173.87) =  98.974%  kept
          HA    LEU   40 - HB3   LYS+  99   8.22 +/- 5.94  15.931% *  4.8305% (0.65   1.0  1.00   1.23   8.53) =   1.018%  kept
        T HA    ILE   56 - HB3   LYS+  99  21.76 +/- 2.66   0.181% *  1.1251% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HB3   LYS+  99  12.67 +/- 4.65   1.832% *  0.1093% (0.90   1.0  1.00   0.02   0.02) =   0.003%
        T HA    ASP- 113 - HB3   LYS+  99  21.73 +/- 2.38   0.193% *  0.5011% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LYS+  99  19.79 +/- 8.45   0.729% *  0.1195% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  19.36 +/- 5.71   0.406% *  0.0546% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  23.31 +/- 5.72   0.213% *  0.0546% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.87 +/- 3.46   0.189% *  0.0593% (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 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.85, residual support = 173.8:
      O   HN    LYS+  99 - HB3   LYS+  99   3.11 +/- 0.45  80.769% * 99.4797% (0.31  10.0   3.85 173.87) =  99.976%  kept
          HE1   HIS  122 - HB3   LYS+  99  16.03 +/- 8.53  16.483% *  0.0804% (0.25   1.0   0.02   0.02) =   0.016%
          HN    ASN   35 - HB3   LYS+  99  13.38 +/- 4.37   2.155% *  0.2692% (0.84   1.0   0.02   0.02) =   0.007%
          HN    ALA   12 - HB3   LYS+  99  26.45 +/- 6.09   0.211% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  22.28 +/- 5.71   0.382% *  0.0497% (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 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 2.01, residual support = 18.8:
        T QD1   LEU  104 - HB3   LYS+  99   3.29 +/- 1.67  91.499% * 97.7087% (0.41 10.00   2.01  18.85) =  99.957%  kept
        T QG2   ILE   89 - HB3   LYS+  99  19.50 +/- 3.74   1.661% *  1.9852% (0.84 10.00   0.02   0.02) =   0.037%
          QG1   VAL   83 - HB3   LYS+  99  18.68 +/- 4.73   1.508% *  0.2062% (0.87  1.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   LYS+  99  15.53 +/- 2.38   3.437% *  0.0470% (0.20  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LYS+  99  18.95 +/- 3.34   1.894% *  0.0529% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 1 structures by 0.38 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.759, support = 1.83, residual support = 8.27:
        T QD2   LEU   40 - HB3   LYS+  99   7.22 +/- 5.66  48.832% * 95.5139% (0.76 10.00   1.86   8.53) =  96.725%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.70 +/- 0.70  37.665% *  4.1623% (0.61  1.00   1.02   0.70) =   3.251%  kept
          QD1   LEU   67 - HB3   LYS+  99  12.70 +/- 4.57   6.868% *  0.0976% (0.73  1.00   0.02   0.02) =   0.014%
          HB    VAL   75 - HB3   LYS+  99  17.08 +/- 3.56   2.083% *  0.1272% (0.95  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HB3   LYS+  99  20.69 +/- 4.36   1.593% *  0.0654% (0.49  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HB3   LYS+  99  15.61 +/- 3.93   2.959% *  0.0335% (0.25  1.00   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 7 structures by 1.00 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.6, residual support = 173.9:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.75 +/- 0.24  90.275% * 99.4593% (0.97  10.0   5.60 173.87) =  99.993%  kept
          HG2   LYS+  38 - HB3   LYS+  99  12.61 +/- 4.87   3.194% *  0.1028% (1.00   1.0   0.02   0.02) =   0.004%
          HB2   LEU   31 - HB3   LYS+  99  14.42 +/- 4.66   2.476% *  0.0708% (0.69   1.0   0.02   0.02) =   0.002%
          QB    ALA  124 - HB3   LYS+  99  17.22 +/- 6.57   1.587% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  22.11 +/- 5.65   0.358% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  16.62 +/- 4.18   0.669% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.77 +/- 1.91   0.428% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.44 +/- 3.69   0.259% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.65 +/- 2.05   0.530% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  22.95 +/- 4.28   0.225% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 173.9:
      O T HB2   LYS+  99 - HA    LYS+  99   2.71 +/- 0.26  97.635% * 99.7492% (0.99  10.0 10.00   7.00 173.87) =  99.998%  kept
          HB    VAL   43 - HA    LYS+  99  11.72 +/- 1.48   1.498% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    LYS+  99  18.80 +/- 5.49   0.613% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  23.17 +/- 4.52   0.255% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.695, support = 5.2, residual support = 181.8:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.70 +/- 0.30  27.917% * 58.3907% (0.99  10.0  1.00   5.18 173.87) =  54.477%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.34 +/- 0.14  39.150% * 20.0954% (0.34  10.0 10.00   5.26 173.87) =  26.293%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.66 +/- 0.27  28.822% * 19.9563% (0.34  10.0 10.00   5.16 215.30) =  19.223%  kept
        T QD    LYS+ 106 - HG3   LYS+  99  12.49 +/- 1.17   0.286% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HG12  ILE   89  13.46 +/- 4.98   0.683% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+  99  18.77 +/- 1.81   0.082% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HG3   LYS+  38  11.31 +/- 5.12   1.188% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  24.95 +/- 4.92   0.046% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG12  ILE   89  22.39 +/- 4.85   0.070% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.15 +/- 2.01   0.207% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  12.91 +/- 5.31   0.681% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  21.39 +/- 2.96   0.068% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  19.12 +/- 2.44   0.086% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.15 +/- 5.63   0.068% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  18.01 +/- 4.49   0.123% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  18.35 +/- 3.22   0.118% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.04 +/- 3.02   0.374% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  28.48 +/- 5.61   0.030% *  0.0051% (0.09   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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.4, residual support = 173.8:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.64 +/- 0.30  87.148% * 97.9462% (0.99  10.0 10.00   6.40 173.87) =  99.976%  kept
        T HB    VAL   43 - HG12  ILE   89  12.85 +/- 4.11   2.242% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.010%
        T HB    VAL   43 - HG3   LYS+  99  14.28 +/- 1.45   0.704% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   LYS+  99 - HG3   LYS+  38  13.13 +/- 5.15   2.338% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - HG12  ILE   89  22.75 +/- 5.45   0.260% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89   9.81 +/- 1.58   2.344% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  99  19.78 +/- 6.34   0.606% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  16.84 +/- 4.48   3.456% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.19 +/- 4.50   0.207% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.12 +/- 2.18   0.439% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  27.87 +/- 6.17   0.129% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  26.83 +/- 4.86   0.128% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 120.4:
    * O   HA    GLN  116 - HG3   GLN  116   3.32 +/- 0.74  95.495% * 99.5202% (1.00  10.0   5.46 120.41) =  99.997%  kept
          HA    VAL   70 - HG3   GLN  116  18.26 +/- 4.17   1.037% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  20.71 +/- 3.34   0.601% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  28.21 +/- 4.75   0.389% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  27.55 +/- 3.92   0.319% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  24.63 +/- 4.16   0.520% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  20.01 +/- 3.95   0.953% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  28.34 +/- 2.78   0.241% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  22.76 +/- 4.24   0.445% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.95, residual support = 120.4:
      O   HB2   GLN  116 - HG3   GLN  116   2.55 +/- 0.31  87.651% * 99.6757% (0.98  10.0   5.95 120.41) =  99.993%  kept
          HB2   PRO   58 - HG3   GLN  116   9.45 +/- 2.55  11.478% *  0.0456% (0.45   1.0   0.02   0.02) =   0.006%
          HB3   PHE   97 - HG3   GLN  116  15.85 +/- 2.61   0.509% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG3   GLN  116  26.37 +/- 2.32   0.099% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  23.26 +/- 3.09   0.148% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  25.99 +/- 4.25   0.114% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.959, support = 6.75, residual support = 98.1:
          QD2   LEU  115 - HG3   GLN  116   4.36 +/- 0.85  64.306% * 93.0210% (0.97   6.87 100.08) =  98.018%  kept
          QD1   LEU   63 - HG3   GLN  116   9.74 +/- 2.85  19.807% *  6.0231% (0.69   0.63   0.02) =   1.955%  kept
          QD2   LEU   63 - HG3   GLN  116  10.49 +/- 2.94  10.707% *  0.0433% (0.15   0.02   0.02) =   0.008%
          QD1   LEU  104 - HG3   GLN  116  16.14 +/- 2.69   1.539% *  0.2749% (0.98   0.02   0.02) =   0.007%
          QD1   LEU   73 - HG3   GLN  116  17.58 +/- 3.82   1.757% *  0.1927% (0.69   0.02   0.02) =   0.006%
          QD2   LEU   80 - HG3   GLN  116  21.69 +/- 2.78   1.081% *  0.2749% (0.98   0.02   0.02) =   0.005%
          QG1   VAL   83 - HG3   GLN  116  21.05 +/- 2.58   0.804% *  0.1701% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.43, residual support = 120.4:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.580% * 99.7025% (0.98  10.0  1.00   6.43 120.41) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  11.87 +/- 1.41   0.361% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  29.99 +/- 6.33   0.059% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.686, support = 4.15, residual support = 120.2:
      O   HE21  GLN  116 - HG3   GLN  116   3.52 +/- 0.55  74.730% * 99.1522% (0.69  10.0   4.16 120.41) =  99.833%  kept
          HN    ALA  120 - HG3   GLN  116   6.07 +/- 0.89  20.614% *  0.5759% (0.31   1.0   0.26   0.15) =   0.160%  kept
          HN    ALA   57 - HG3   GLN  116  10.43 +/- 1.87   4.071% *  0.1103% (0.76   1.0   0.02   0.02) =   0.006%
          HE21  GLN   90 - HG3   GLN  116  25.15 +/- 3.03   0.276% *  0.1393% (0.97   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG3   GLN  116  26.96 +/- 5.14   0.309% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.694, support = 7.33, residual support = 115.3:
          HN    GLN  116 - HG3   GLN  116   3.83 +/- 0.48  63.174% * 83.1661% (0.69   7.61 120.41) =  95.730%  kept
          HN    THR  118 - HG3   GLN  116   6.65 +/- 0.64  14.173% * 14.6839% (0.92   1.00   0.12) =   3.792%  kept
          HN    GLU- 114 - HG3   GLN  116   6.78 +/- 1.39  14.013% *  1.6769% (0.25   0.42   1.87) =   0.428%  kept
          HN    PHE   60 - HG3   GLN  116   9.64 +/- 2.22   8.411% *  0.3181% (1.00   0.02   0.02) =   0.049%
          HN    GLU-  15 - HG3   GLN  116  25.89 +/- 2.82   0.229% *  0.1549% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.913, support = 6.52, residual support = 177.6:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  43.883% * 82.9773% (1.00  10.0 10.00   6.52 173.87) =  90.524%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  43.883% *  8.3749% (0.10  10.0 10.00   6.56 221.19) =   9.137%  kept
          QB    ALA   88 - HG12  ILE   89   5.07 +/- 0.72   2.131% *  6.0508% (0.28   1.0  1.00   5.22   9.56) =   0.321%  kept
        T HG2   LYS+  38 - HG3   LYS+  99  11.88 +/- 6.05   0.662% *  0.8026% (0.97   1.0 10.00   0.02   0.02) =   0.013%
        T HG2   LYS+  99 - HG3   LYS+  38  11.92 +/- 6.22   0.627% *  0.0866% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  99  14.52 +/- 4.89   0.390% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.11 +/- 3.63   0.029% *  0.7677% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG3   LYS+  99   7.47 +/- 1.52   1.055% *  0.0207% (0.25   1.0  1.00   0.02  17.73) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  17.48 +/- 3.58   0.069% *  0.3113% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG12  ILE   89   5.30 +/- 1.50   3.156% *  0.0059% (0.07   1.0  1.00   0.02  12.76) =   0.000%
          QG2   THR   77 - HG12  ILE   89   7.36 +/- 2.15   1.677% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.36 +/- 1.99   0.445% *  0.0245% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.86 +/- 6.97   0.216% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  13.14 +/- 3.73   0.315% *  0.0164% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  17.65 +/- 4.41   0.065% *  0.0504% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  23.24 +/- 5.59   0.038% *  0.0571% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.86 +/- 1.97   0.047% *  0.0405% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.52 +/- 1.87   0.186% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  23.24 +/- 5.35   0.048% *  0.0293% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  23.90 +/- 3.83   0.022% *  0.0604% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.79 +/- 1.70   0.039% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  11.76 +/- 1.78   0.184% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  18.39 +/- 6.08   0.111% *  0.0084% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  24.59 +/- 5.58   0.027% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  19.28 +/- 2.94   0.044% *  0.0205% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  28.02 +/- 5.68   0.016% *  0.0325% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  21.97 +/- 3.93   0.031% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.93 +/- 4.45   0.207% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.08 +/- 5.97   0.117% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  20.98 +/- 1.20   0.027% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  18.05 +/- 3.17   0.065% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  25.95 +/- 2.04   0.014% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  19.81 +/- 2.42   0.036% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.49 +/- 5.80   0.023% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  26.90 +/- 5.30   0.018% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  28.64 +/- 3.78   0.012% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  20.29 +/- 2.57   0.034% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  23.84 +/- 3.56   0.028% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  24.10 +/- 4.57   0.023% *  0.0015% (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        :   1241
      with multiple volume contributions     :    990
      eliminated by violation filter         :     96
 
    Peaks:
      selected                               :   2700
      without assignment                     :    120
      with assignment                        :   2580
      with unique assignment                 :   1540
      with multiple assignment               :   1040
      with reference assignment              :   1605
      with identical reference assignment    :   1021
      with compatible reference assignment   :    576
      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
    QD2   LEU   40       2.9
    QD    PHE   45       3.9
    QG2   ILE   56       3.0
    QD    PHE   60       3.6
    HN    LYS+  65       5.1
    HZ    PHE   72       3.6
    HA    LEU   73       3.0
    QD1   ILE   89       3.5
    HB3   MET   96       2.9
    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 = 72.5:
        T HA    PHE   60 - QD    PHE   60   2.94 +/- 0.66  77.374% * 98.3426% (0.87 10.00   3.95  72.53) =  99.895%  kept
        T QB    SER  117 - QD    PHE   60  10.87 +/- 1.75   4.065% *  1.0168% (0.90 10.00   0.02   0.02) =   0.054%
        T QB    SER   48 - QD    PHE   60  10.77 +/- 3.15   7.735% *  0.4255% (0.38 10.00   0.02   0.02) =   0.043%
          HB    THR   94 - QD    PHE   60   8.14 +/- 1.70   5.751% *  0.0552% (0.49  1.00   0.02   0.02) =   0.004%
          HA2   GLY   51 - QD    PHE   60  11.63 +/- 1.66   1.631% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  14.14 +/- 1.57   1.230% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  12.56 +/- 1.59   2.215% *  0.0224% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 1.02, residual support = 74.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  95.428% * 81.0522% (0.69  10.0   1.01  74.40) =  99.170%  kept
          HN    TRP   87 - HZ3   TRP   87   7.52 +/- 0.18   3.500% * 18.4762% (0.61   1.0   2.60  74.40) =   0.829%  kept
          HN    ALA   91 - HZ3   TRP   87  13.63 +/- 1.00   0.628% *  0.0723% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HZ3   TRP   87  22.28 +/- 4.69   0.229% *  0.0879% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  30.78 +/- 8.76   0.100% *  0.1789% (0.76   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  28.68 +/- 7.01   0.115% *  0.1325% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 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  19.11 +/- 4.34 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.39 A violated in 20 structures by 13.72 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 1.16, residual support = 6.07:
          QB    ALA   20 - HE1   HIS   22   3.64 +/- 0.46  79.429% * 93.7199% (0.76   1.17   6.10) =  99.470%  kept
          HG2   LYS+ 121 - HE1   HIS   22  24.67 +/- 7.48  17.680% *  2.0906% (1.00   0.02   0.02) =   0.494%  kept
          QG2   VAL  107 - HE1   HIS   22  20.21 +/- 3.21   0.592% *  1.9821% (0.95   0.02   0.02) =   0.016%
          HG13  ILE  119 - HE1   HIS   22  22.04 +/- 5.03   1.211% *  0.5826% (0.28   0.02   0.02) =   0.009%
          HG13  ILE  103 - HE1   HIS   22  23.82 +/- 4.55   0.430% *  1.1024% (0.53   0.02   0.02) =   0.006%
          HB3   LEU   31 - HE1   HIS   22  17.89 +/- 1.20   0.658% *  0.5225% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.48 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 = 0.446, support = 4.54, residual support = 37.6:
          HN    ASN   28 - HD1   TRP   27   2.79 +/- 0.36  80.974% * 36.9744% (0.25   5.36  50.98) =  73.451%  kept
          HN    GLU-  25 - HD1   TRP   27   4.77 +/- 0.58  17.329% * 62.3982% (0.99   2.28   0.59) =  26.528%  kept
          HN    ASP-  44 - HD1   TRP   27  12.55 +/- 2.56   1.491% *  0.5421% (0.98   0.02   0.02) =   0.020%
          HN    ALA  110 - HD1   TRP   27  23.00 +/- 4.03   0.205% *  0.0853% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.34, residual support = 107.1:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.34 107.07) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.55, residual support = 107.1:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  98.491% * 99.9800% (0.89  10.0   1.55 107.07) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  13.07 +/- 2.57   1.509% *  0.0200% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.956, support = 4.16, residual support = 107.1:
          HA    TRP   27 - HE3   TRP   27   3.29 +/- 0.41  94.206% * 98.5409% (0.96   4.16 107.07) =  99.990%  kept
          HA    VAL  107 - HE3   TRP   27  18.27 +/- 3.19   0.862% *  0.4528% (0.91   0.02   0.02) =   0.004%
          HA    ALA   91 - HE3   TRP   27  19.59 +/- 3.44   0.570% *  0.4862% (0.98   0.02   0.02) =   0.003%
          HA    TRP   27 - HN    LEU   67  15.20 +/- 1.75   1.205% *  0.0737% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  24.13 +/- 2.29   0.288% *  0.1841% (0.37   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    LEU   67  21.25 +/- 3.86   0.669% *  0.0757% (0.15   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  18.53 +/- 2.21   0.675% *  0.0705% (0.14   0.02   0.02) =   0.001%
          HA    ALA  110 - HE3   TRP   27  21.60 +/- 3.52   0.514% *  0.0757% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  20.72 +/- 1.10   0.447% *  0.0286% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  20.39 +/- 3.14   0.565% *  0.0118% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 107.0:
      O   HB3   TRP   27 - HE3   TRP   27   2.58 +/- 0.15  89.214% * 98.0783% (0.17  10.0   4.50 107.07) =  99.969%  kept
          QE    LYS+  99 - HE3   TRP   27  13.53 +/- 4.58   2.769% *  0.4678% (0.83   1.0   0.02   0.02) =   0.015%
          QE    LYS+  38 - HE3   TRP   27  13.25 +/- 2.63   1.330% *  0.5551% (0.98   1.0   0.02   0.02) =   0.008%
          QE    LYS+ 102 - HE3   TRP   27  16.65 +/- 4.13   0.502% *  0.5405% (0.96   1.0   0.02   0.02) =   0.003%
          HB2   PHE   97 - HE3   TRP   27  14.27 +/- 4.36   2.005% *  0.0864% (0.15   1.0   0.02   0.02) =   0.002%
          QE    LYS+  99 - HN    LEU   67  15.37 +/- 6.00   1.691% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  14.62 +/- 3.24   0.991% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  21.28 +/- 4.11   0.279% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  14.78 +/- 2.00   0.621% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  16.31 +/- 3.71   0.597% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 0.623, support = 2.33, residual support = 14.4:
          QD2   LEU   73 - HE3   TRP   27   3.93 +/- 2.83  29.580% * 17.7926% (0.28   3.21  26.40) =  39.423%  kept
          QG1   VAL   43 - HE3   TRP   27   7.54 +/- 3.46   8.449% * 45.6104% (0.99   2.29   3.17) =  28.867%  kept
          QG1   VAL   41 - HE3   TRP   27   7.16 +/- 3.28  10.366% * 24.2823% (0.94   1.29   0.40) =  18.855%  kept
          HG    LEU   31 - HE3   TRP   27   4.44 +/- 0.71  15.421% * 10.6886% (0.41   1.30  24.70) =  12.347%  kept
          QG2   VAL   18 - HN    LEU   67   7.94 +/- 5.47   7.320% *  0.3270% (0.14   0.11   0.02) =   0.179%  kept
          QD2   LEU  104 - HE3   TRP   27  12.06 +/- 4.42  11.410% *  0.1361% (0.34   0.02   0.79) =   0.116%  kept
          QD1   ILE   19 - HE3   TRP   27   6.88 +/- 1.65   7.654% *  0.1943% (0.48   0.02   0.02) =   0.111%  kept
          QG2   VAL   18 - HE3   TRP   27   9.10 +/- 1.81   2.632% *  0.3684% (0.91   0.02   0.02) =   0.073%
          QG2   THR   46 - HE3   TRP   27  12.92 +/- 2.86   0.492% *  0.3334% (0.83   0.02   0.02) =   0.012%
          QG1   VAL   41 - HN    LEU   67  11.10 +/- 1.88   0.853% *  0.0587% (0.15   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    LEU   67  11.50 +/- 1.56   0.662% *  0.0621% (0.15   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    LEU   67  10.46 +/- 2.64   1.240% *  0.0302% (0.08   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    LEU   67  12.69 +/- 2.79   0.640% *  0.0519% (0.13   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LEU   67   8.88 +/- 1.47   1.890% *  0.0173% (0.04   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LEU   67  15.77 +/- 3.15   0.680% *  0.0255% (0.06   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    LEU   67  14.64 +/- 3.65   0.711% *  0.0212% (0.05   0.02   0.02) =   0.001%
    Distance limit 5.39 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 = 0.438, support = 5.63, residual support = 22.0:
          QD1   LEU   73 - HE3   TRP   27   3.39 +/- 3.22  47.793% * 54.3015% (0.37   6.62  26.40) =  82.305%  kept
          QD2   LEU   80 - HE3   TRP   27  12.50 +/- 5.88  11.608% * 24.4766% (0.76   1.46   3.03) =   9.011%  kept
          QD1   LEU  104 - HE3   TRP   27  13.01 +/- 4.97  13.545% * 12.5717% (0.94   0.61   0.79) =   5.400%  kept
          QD1   LEU   63 - HE3   TRP   27  10.68 +/- 3.18  15.251% *  6.3158% (0.37   0.77   0.02) =   3.055%  kept
          QG1   VAL   83 - HE3   TRP   27  13.84 +/- 6.29   4.268% *  1.5983% (0.89   0.08   0.02) =   0.216%  kept
          QD2   LEU  115 - HE3   TRP   27  15.59 +/- 3.01   0.372% *  0.3176% (0.72   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    LEU   67  16.13 +/- 3.48   1.806% *  0.0520% (0.12   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    LEU   67   6.91 +/- 0.79   2.800% *  0.0255% (0.06   0.02   0.02) =   0.002%
          QG2   ILE   89 - HE3   TRP   27  15.91 +/- 4.40   0.305% *  0.1216% (0.28   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   67  15.05 +/- 4.07   0.416% *  0.0644% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  10.74 +/- 1.50   0.951% *  0.0255% (0.06   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   67  12.86 +/- 1.31   0.316% *  0.0494% (0.11   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  17.46 +/- 3.40   0.232% *  0.0610% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  17.79 +/- 3.40   0.338% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 0.654, support = 0.644, residual support = 0.716:
          QG2   VAL   75 - HE3   TRP   27   7.14 +/- 3.13  38.070% * 48.1804% (0.72   0.56   0.86) =  59.082%  kept
          QG2   VAL   42 - HE3   TRP   27   8.73 +/- 2.23  24.568% * 51.3448% (0.56   0.77   0.51) =  40.632%  kept
          QG2   VAL   75 - HN    LEU   67   9.97 +/- 1.87  18.795% *  0.2668% (0.11   0.02   0.02) =   0.161%  kept
          QG2   VAL   42 - HN    LEU   67   8.63 +/- 1.59  18.567% *  0.2080% (0.09   0.02   0.02) =   0.124%  kept
    Distance limit 4.61 A violated in 4 structures by 0.90 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.71, residual support = 35.2:
      O T HB2   HIS   22 - HD2   HIS   22   3.94 +/- 0.05  96.903% * 99.9216% (0.92  10.0 10.00   2.71  35.22) =  99.998%  kept
          HA    LEU   63 - HD2   HIS   22  17.50 +/- 3.45   2.390% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HD2   HIS   22  24.89 +/- 4.85   0.707% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.28, residual support = 35.2:
      O T HB3   HIS   22 - HD2   HIS   22   2.99 +/- 0.25  99.500% * 99.8217% (0.45  10.0 10.00   3.28  35.22) =  99.999%  kept
          HD3   ARG+  54 - HD2   HIS   22  24.51 +/- 5.73   0.500% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.71 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 = 0.789, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  12.10 +/- 4.96  38.507% * 29.7119% (0.92   0.02   0.02) =  58.689%  kept
          QB    CYS   50 - HD2   HIS   22  20.61 +/- 4.74   9.110% * 28.8658% (0.90   0.02   0.02) =  13.490%  kept
          HB3   ASP-  78 - HD2   HIS   22  19.00 +/- 6.80  11.507% * 19.5221% (0.61   0.02   0.02) =  11.524%  kept
          HB3   ASN   69 - HD2   HIS   22  20.11 +/- 3.11   9.585% * 16.9340% (0.53   0.02   0.02) =   8.326%  kept
          HB2   PHE   72 - HD2   HIS   22  12.60 +/- 2.88  31.292% *  4.9662% (0.15   0.02   0.02) =   7.972%  kept
    Distance limit 5.43 A violated in 18 structures by 4.78 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.21, residual support = 6.1:
        T QB    ALA   20 - HD2   HIS   22   3.56 +/- 0.63  95.865% * 98.9678% (0.28 10.00   2.21   6.10) =  99.991%  kept
          HG13  ILE  103 - HD2   HIS   22  21.74 +/- 4.77   0.856% *  0.3435% (0.97  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HD2   HIS   22  23.98 +/- 6.75   1.194% *  0.2303% (0.65  1.00   0.02   0.02) =   0.003%
          QG2   VAL  107 - HD2   HIS   22  19.39 +/- 3.18   0.749% *  0.3088% (0.87  1.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HD2   HIS   22  17.71 +/- 2.32   0.964% *  0.0704% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  26.13 +/- 5.38   0.372% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 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  18.57 +/- 3.84 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.38 A violated in 20 structures by 13.20 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 = 8.38:
          HA    CYS   21 - HD2   HIS   22   3.80 +/- 0.16  94.470% * 97.4291% (0.95   3.23   8.38) =  99.975%  kept
          HA    LYS+ 102 - HD2   HIS   22  23.23 +/- 6.11   2.608% *  0.4123% (0.65   0.02   0.02) =   0.012%
          HA    CYS   50 - HD2   HIS   22  23.76 +/- 5.23   0.748% *  0.6029% (0.95   0.02   0.02) =   0.005%
          HA    TRP   49 - HD2   HIS   22  25.55 +/- 6.12   0.542% *  0.6373% (1.00   0.02   0.02) =   0.004%
          HA1   GLY  109 - HD2   HIS   22  27.22 +/- 3.46   0.307% *  0.6151% (0.97   0.02   0.02) =   0.002%
          HA    ALA   47 - HD2   HIS   22  21.93 +/- 5.37   0.907% *  0.1772% (0.28   0.02   0.02) =   0.002%
          HA    VAL  108 - HD2   HIS   22  24.46 +/- 3.05   0.417% *  0.1261% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.13 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 = 0.962, support = 3.2, residual support = 49.5:
          HA    ASN   28 - HD1   TRP   27   3.94 +/- 0.24  70.833% * 79.0949% (1.00   3.22  50.98) =  94.999%  kept
          HA    THR   26 - HD1   TRP   27   6.58 +/- 0.47  15.703% * 18.5099% (0.28   2.71  22.66) =   4.928%  kept
          HA    LEU  115 - HD1   TRP   27  20.48 +/- 5.19   2.556% *  0.4874% (0.99   0.02   0.02) =   0.021%
          HA    ALA   34 - HD1   TRP   27  12.19 +/- 0.93   2.602% *  0.4539% (0.92   0.02   0.02) =   0.020%
          HA1   GLY  101 - HD1   TRP   27  17.15 +/- 5.92   1.512% *  0.3758% (0.76   0.02   0.02) =   0.010%
          HA    ARG+  54 - HD1   TRP   27  21.72 +/- 4.16   1.404% *  0.3378% (0.69   0.02   0.02) =   0.008%
          HA    LYS+  81 - HD1   TRP   27  17.98 +/- 6.68   2.831% *  0.0973% (0.20   0.02   0.02) =   0.005%
          HA    GLU- 114 - HD1   TRP   27  24.02 +/- 5.33   0.838% *  0.2982% (0.61   0.02   0.02) =   0.004%
          HA    ALA  124 - HD1   TRP   27  26.82 +/- 6.68   0.843% *  0.2784% (0.57   0.02   0.02) =   0.004%
          HA    GLU-  36 - HD1   TRP   27  17.17 +/- 0.59   0.879% *  0.0665% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.04, residual support = 23.2:
          HA    VAL   24 - HD1   TRP   27   2.29 +/- 0.65  98.548% * 99.5148% (1.00   5.04  23.23) =  99.997%  kept
          HA    LYS+  38 - HD1   TRP   27  16.09 +/- 1.27   0.635% *  0.2719% (0.69   0.02   0.02) =   0.002%
          HA    ALA   61 - HD1   TRP   27  15.86 +/- 3.02   0.572% *  0.0783% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  19.73 +/- 2.82   0.246% *  0.1350% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 107.1:
      O T HB2   TRP   27 - HD1   TRP   27   2.71 +/- 0.08  97.911% * 99.7544% (0.65  10.0 10.00   3.65 107.07) =  99.997%  kept
          HA    THR   77 - HD1   TRP   27  14.78 +/- 4.41   1.177% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   93 - HD1   TRP   27  19.85 +/- 3.62   0.912% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 107.1:
      O T HB3   TRP   27 - HD1   TRP   27   3.81 +/- 0.08  88.956% * 99.6316% (0.73  10.0 10.00   4.08 107.07) =  99.986%  kept
          HB2   PHE   97 - HD1   TRP   27  16.89 +/- 5.66   6.907% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.008%
          HB3   PHE   60 - HD1   TRP   27  16.70 +/- 3.46   2.555% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+ 106 - HD1   TRP   27  17.40 +/- 4.76   1.581% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.83 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 = 0.743, support = 3.11, residual support = 23.2:
          QG2   VAL   24 - HD1   TRP   27   1.94 +/- 0.15  86.057% * 71.6663% (0.76  1.00   3.14  23.23) =  95.265%  kept
          QG1   VAL   24 - HD1   TRP   27   3.88 +/- 0.42  12.774% * 23.8429% (0.31  1.00   2.59  23.23) =   4.704%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.33 +/- 4.25   0.457% *  3.8627% (0.65 10.00   0.02   0.02) =   0.027%
          HG    LEU   63 - HD1   TRP   27  16.91 +/- 4.00   0.562% *  0.3622% (0.61  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HD1   TRP   27  23.88 +/- 4.96   0.077% *  0.1329% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  24.42 +/- 5.07   0.074% *  0.1329% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.707, support = 2.73, residual support = 13.4:
          QD1   LEU   73 - HD1   TRP   27   5.35 +/- 3.15  34.226% * 33.2780% (0.49   3.77  26.40) =  46.618%  kept
          QD2   LEU   80 - HD1   TRP   27  12.18 +/- 6.95  22.070% * 35.4900% (0.87   2.26   3.03) =  32.059%  kept
          QD1   LEU  104 - HD1   TRP   27  15.19 +/- 6.02  18.039% * 24.0804% (0.99   1.34   0.79) =  17.779%  kept
          QG1   VAL   83 - HD1   TRP   27  13.78 +/- 6.76  13.389% *  5.0564% (0.80   0.35   0.02) =   2.771%  kept
          QD1   LEU   63 - HD1   TRP   27  13.61 +/- 3.78  10.821% *  1.7209% (0.49   0.20   0.02) =   0.762%  kept
          QD2   LEU  115 - HD1   TRP   27  17.57 +/- 4.17   0.774% *  0.3027% (0.84   0.02   0.02) =   0.010%
          QG2   ILE   89 - HD1   TRP   27  16.21 +/- 4.40   0.679% *  0.0717% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 1.95, residual support = 23.4:
          QD2   LEU   31 - HD1   TRP   27   4.05 +/- 0.52  79.343% * 79.9161% (0.73   2.04  24.70) =  94.907%  kept
          QG2   VAL   83 - HD1   TRP   27  14.32 +/- 6.01  17.648% * 19.1140% (1.00   0.35   0.02) =   5.049%  kept
          QD1   ILE   89 - HD1   TRP   27  16.67 +/- 4.63   3.010% *  0.9698% (0.90   0.02   0.02) =   0.044%
    Distance limit 4.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.32, residual support = 107.1:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  98.306% * 99.7536% (0.28  10.0 10.00   1.32 107.07) =  99.996%  kept
          HZ    PHE   72 - HH2   TRP   27  11.01 +/- 2.03   1.694% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 5.17 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 = 2.1, residual support = 107.1:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.10 107.07) = 100.000%  kept
    Distance limit 5.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.55, residual support = 107.1:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  94.676% * 99.6519% (1.00  10.0   1.55 107.07) =  99.996%  kept
          QE    PHE   95 - HZ3   TRP   27  12.41 +/- 2.94   1.476% *  0.0832% (0.65   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HZ3   TRP   27  10.04 +/- 0.82   1.526% *  0.0780% (0.61   1.0   0.02   1.24) =   0.001%
          HN    LEU   67 - HZ3   TRP   27  13.07 +/- 2.57   1.451% *  0.0321% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  20.48 +/- 2.02   0.189% *  0.1261% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  17.60 +/- 5.15   0.682% *  0.0286% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 5.47 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 = 0.868, support = 1.26, residual support = 6.77:
        T QG1   VAL   43 - HH2   TRP   27   5.99 +/- 3.86  27.584% * 76.2115% (0.92 10.00   1.10   3.17) =  81.097%  kept
          HG    LEU   31 - HH2   TRP   27   4.52 +/- 1.35  24.439% * 10.6096% (0.65  1.00   2.18  24.70) =  10.003%  kept
          QD2   LEU   73 - HH2   TRP   27   5.11 +/- 2.80  21.666% *  7.8220% (0.49  1.00   2.13  26.40) =   6.538%  kept
          QG1   VAL   41 - HH2   TRP   27   7.04 +/- 2.75  12.001% *  5.0502% (1.00  1.00   0.67   0.40) =   2.338%  kept
          QD1   ILE   19 - HH2   TRP   27   9.67 +/- 1.80   4.526% *  0.0419% (0.28  1.00   0.02   0.02) =   0.007%
          QD2   LEU  104 - HH2   TRP   27  10.67 +/- 3.84   6.669% *  0.0264% (0.18  1.00   0.02   0.79) =   0.007%
          QG2   THR   46 - HH2   TRP   27  12.12 +/- 3.04   1.392% *  0.0914% (0.61  1.00   0.02   0.02) =   0.005%
          QG2   VAL   18 - HH2   TRP   27  11.38 +/- 2.08   1.108% *  0.1094% (0.73  1.00   0.02   0.02) =   0.005%
          QD1   ILE   56 - HH2   TRP   27  14.40 +/- 2.75   0.616% *  0.0376% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.844, support = 1.79, residual support = 8.22:
        T QG1   VAL   43 - HZ3   TRP   27   6.26 +/- 3.50  14.855% * 81.4450% (0.92 10.00   1.65   3.17) =  73.201%  kept
          HG    LEU   31 - HZ3   TRP   27   4.27 +/- 1.40  23.939% *  8.2990% (0.65  1.00   2.40  24.70) =  12.020%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.95 +/- 2.83  29.484% *  6.1960% (0.49  1.00   2.38  26.40) =  11.053%  kept
          QG1   VAL   41 - HZ3   TRP   27   6.22 +/- 2.96  15.890% *  3.8424% (1.00  1.00   0.72   0.40) =   3.694%  kept
          QG2   VAL   18 - HZ3   TRP   27   9.77 +/- 2.22   2.207% *  0.0776% (0.73  1.00   0.02   0.02) =   0.010%
          QD1   ILE   19 - HZ3   TRP   27   7.82 +/- 1.90   5.057% *  0.0297% (0.28  1.00   0.02   0.02) =   0.009%
          QD2   LEU  104 - HZ3   TRP   27  10.88 +/- 3.75   7.204% *  0.0187% (0.18  1.00   0.02   0.79) =   0.008%
          QG2   THR   46 - HZ3   TRP   27  12.34 +/- 2.66   0.737% *  0.0648% (0.61  1.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HZ3   TRP   27  14.52 +/- 2.11   0.627% *  0.0266% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.97 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 = 0.878, support = 3.49, residual support = 24.2:
        T QD1   LEU   73 - HZ3   TRP   27   4.31 +/- 3.00  31.339% * 79.2893% (0.90 10.00   3.78  26.40) =  91.412%  kept
        T QD1   LEU   63 - HZ3   TRP   27   9.83 +/- 3.13  13.591% *  9.8569% (0.90 10.00   0.25   0.02) =   4.928%  kept
        T QD1   LEU  104 - HZ3   TRP   27  11.84 +/- 4.27   9.165% *  5.7326% (0.31 10.00   0.42   0.79) =   1.933%  kept
          QD2   LEU   80 - HZ3   TRP   27  12.55 +/- 5.13   9.573% *  3.1065% (0.53  1.00   1.34   3.03) =   1.094%  kept
          QG2   VAL   41 - HZ3   TRP   27   5.63 +/- 3.03  21.698% *  0.5773% (0.28  1.00   0.47   0.40) =   0.461%  kept
          QD2   LEU   63 - HZ3   TRP   27  10.30 +/- 2.86   3.309% *  1.3600% (0.84  1.00   0.37   0.02) =   0.166%  kept
          QD2   LEU   98 - HZ3   TRP   27   7.76 +/- 3.74   7.651% *  0.0136% (0.15  1.00   0.02   0.02) =   0.004%
          QD1   LEU   80 - HZ3   TRP   27  13.43 +/- 5.51   2.946% *  0.0136% (0.15  1.00   0.02   3.03) =   0.001%
          QD2   LEU  115 - HZ3   TRP   27  14.69 +/- 3.02   0.728% *  0.0501% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.28 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 = 0.764, support = 3.34, residual support = 24.7:
        T QD2   LEU   31 - HZ3   TRP   27   3.03 +/- 0.37  80.211% * 99.3662% (0.76 10.00   3.34  24.70) =  99.887%  kept
          QG2   VAL   83 - HZ3   TRP   27  13.67 +/- 5.68  16.664% *  0.5211% (1.00  1.00   0.08   0.02) =   0.109%  kept
          QD1   ILE   89 - HZ3   TRP   27  15.55 +/- 4.88   3.125% *  0.1128% (0.87  1.00   0.02   0.02) =   0.004%
    Distance limit 4.80 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 = 0.766, support = 3.51, residual support = 24.5:
          QD2   LEU   31 - HH2   TRP   27   3.10 +/- 0.51  74.241% * 96.5230% (0.76   3.54  24.70) =  99.085%  kept
          QG2   VAL   83 - HH2   TRP   27  13.15 +/- 5.53  22.434% *  2.8583% (1.00   0.08   0.02) =   0.887%  kept
          QD1   ILE   89 - HH2   TRP   27  14.86 +/- 4.88   3.325% *  0.6187% (0.87   0.02   0.02) =   0.028%
    Distance limit 4.77 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 = 0.966, support = 3.37, residual support = 23.2:
          QD1   LEU   73 - HH2   TRP   27   5.20 +/- 3.13  28.237% * 68.9240% (1.00   3.76  26.40) =  87.267%  kept
          QD2   LEU   80 - HH2   TRP   27  12.34 +/- 4.86   7.353% * 16.0969% (0.76   1.15   3.03) =   5.307%  kept
          QD1   LEU   63 - HH2   TRP   27  10.37 +/- 3.55  13.195% *  6.7593% (1.00   0.37   0.02) =   3.999%  kept
          QD1   LEU  104 - HH2   TRP   27  11.61 +/- 4.37  11.056% *  4.0655% (0.53   0.42   0.79) =   2.015%  kept
          QG2   VAL   41 - HH2   TRP   27   6.42 +/- 2.80  20.622% *  0.8551% (0.14   0.34   0.40) =   0.791%  kept
          QD2   LEU   63 - HH2   TRP   27  11.00 +/- 3.28   3.634% *  2.7734% (0.61   0.25   0.02) =   0.452%  kept
          QG1   VAL   83 - HH2   TRP   27  13.17 +/- 5.58  14.753% *  0.2312% (0.15   0.08   0.02) =   0.153%  kept
          QD2   LEU  115 - HH2   TRP   27  14.69 +/- 3.56   1.150% *  0.2945% (0.80   0.02   0.02) =   0.015%
    Distance limit 5.43 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 = 1.32, residual support = 107.1:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.32 107.07) = 100.000%  kept
    Distance limit 4.11 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 = 0.867, support = 2.54, residual support = 50.7:
          HD21  ASN   28 - HZ2   TRP   27   4.69 +/- 0.67  55.022% * 98.1446% (0.87   2.55  50.98) =  99.439%  kept
          HZ2   TRP   87 - HZ2   TRP   27  18.03 +/- 9.23  27.827% *  0.8695% (0.98   0.02   0.02) =   0.446%  kept
          QE    PHE   60 - HZ2   TRP   27  12.00 +/- 3.01   6.584% *  0.6093% (0.69   0.02   0.02) =   0.074%
          HN    LEU   63 - HZ2   TRP   27  15.20 +/- 4.22   9.595% *  0.2212% (0.25   0.02   0.02) =   0.039%
          HN    ILE   56 - HZ2   TRP   27  20.05 +/- 3.70   0.971% *  0.1554% (0.18   0.02   0.02) =   0.003%
    Distance limit 5.24 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 = 1.84, residual support = 107.1:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.84 107.07) = 100.000%  kept
    Distance limit 5.16 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 = 0.02, residual support = 0.02:
          HE1   TRP   87 - HZ2   TRP   27  17.08 +/- 8.46 100.000% *100.0000% (0.92   0.02   0.02) = 100.000%  kept
    Distance limit 5.07 A violated in 16 structures by 12.36 A, eliminated.
    Peak unassigned.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.585, support = 3.42, residual support = 19.5:
        T QD2   LEU   31 - HZ2   TRP   27   3.00 +/- 0.39  70.246% * 57.2574% (0.49 10.00   4.25  24.70) =  75.976%  kept
        T QG2   VAL   43 - HZ2   TRP   27   7.22 +/- 3.98  29.754% * 42.7426% (0.90 10.00   0.81   3.17) =  24.024%  kept
    Distance limit 4.57 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 = 0.902, support = 2.64, residual support = 11.5:
        T QD1   ILE   89 - QD    PHE   45   5.51 +/- 3.12  44.144% * 89.6017% (0.90 10.00   2.74  12.38) =  91.988%  kept
          QG2   VAL   83 - QD    PHE   45   5.80 +/- 2.87  37.726% *  7.9603% (1.00  1.00   1.59   1.96) =   6.984%  kept
          QD2   LEU   31 - QD    PHE   45  10.81 +/- 2.41  18.131% *  2.4380% (0.73  1.00   0.67   0.02) =   1.028%  kept
    Distance limit 4.41 A violated in 7 structures by 1.13 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.954, support = 2.32, residual support = 8.21:
          QD1   ILE   89 - QE    PHE   45   6.16 +/- 3.45  33.587% * 64.4856% (0.97   3.02  12.38) =  60.868%  kept
          QG2   VAL   83 - QE    PHE   45   5.56 +/- 3.41  42.855% * 28.8019% (0.98   1.33   1.96) =  34.688%  kept
          QD2   LEU   31 - QE    PHE   45  10.10 +/- 2.87  23.558% *  6.7126% (0.61   0.50   0.02) =   4.444%  kept
    Distance limit 4.32 A violated in 7 structures by 1.06 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 17.9:
        T QG1   VAL   75 - QD    PHE   45   3.26 +/- 2.67  79.790% * 99.9034% (1.00 10.00   3.12  17.95) =  99.976%  kept
          QD1   LEU  115 - QD    PHE   45   8.93 +/- 2.12  20.210% *  0.0966% (0.97  1.00   0.02   0.02) =   0.024%
    Distance limit 4.64 A violated in 2 structures by 0.64 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 2.11, residual support = 17.9:
        T HB    VAL   75 - QD    PHE   45   5.37 +/- 2.89  49.902% * 98.5397% (0.99 10.00   2.12  17.95) =  99.782%  kept
          HG3   LYS+  74 - QD    PHE   45  10.20 +/- 2.25   6.975% *  1.2399% (0.38  1.00   0.66   0.02) =   0.175%  kept
          QG2   ILE  103 - QD    PHE   45   9.13 +/- 1.63  17.215% *  0.0484% (0.49  1.00   0.02   0.02) =   0.017%
          QD1   LEU   67 - QD    PHE   45  10.30 +/- 1.42   9.430% *  0.0603% (0.61  1.00   0.02   0.02) =   0.012%
          QD2   LEU   40 - QD    PHE   45  10.80 +/- 0.93   6.813% *  0.0643% (0.65  1.00   0.02   0.02) =   0.009%
          QD1   ILE  119 - QD    PHE   45  11.48 +/- 1.63   5.699% *  0.0339% (0.34  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - QD    PHE   45  12.86 +/- 1.38   3.966% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.81 A violated in 5 structures by 0.96 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.27, residual support = 10.7:
        T QG2   THR   77 - QD    PHE   45   3.70 +/- 2.17  51.814% * 69.8599% (0.65 10.00   3.16  10.03) =  86.068%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.52 +/- 0.36  21.649% * 21.3713% (0.20 10.00   4.59  18.44) =  11.001%  kept
          QB    ALA   88 - QD    PHE   45   8.85 +/- 2.81  14.641% *  8.3801% (0.97  1.00   1.61   0.85) =   2.917%  kept
          HB3   LEU   80 - QD    PHE   45   8.44 +/- 2.57   6.998% *  0.0405% (0.38  1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - QD    PHE   45  13.42 +/- 2.43   1.121% *  0.0655% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD    PHE   45  10.60 +/- 2.08   1.986% *  0.0300% (0.28  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   45  14.95 +/- 3.03   1.005% *  0.0568% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    PHE   45  16.29 +/- 1.25   0.476% *  0.0937% (0.87  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  18.76 +/- 1.95   0.309% *  0.1022% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 4.17 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 = 0.742, support = 0.959, residual support = 25.8:
          QG2   THR   94 - QD    PHE   45   3.46 +/- 0.90  64.835% * 70.9784% (0.80   0.98  27.69) =  88.005%  kept
          HG12  ILE   89 - QD    PHE   45   7.18 +/- 2.89  26.280% * 23.3509% (0.31   0.84  12.38) =  11.736%  kept
          HD2   LYS+ 112 - QD    PHE   45  13.73 +/- 3.46   4.316% *  1.8113% (1.00   0.02   0.02) =   0.150%  kept
          HB3   LYS+ 112 - QD    PHE   45  13.40 +/- 2.81   2.048% *  1.3843% (0.76   0.02   0.02) =   0.054%
          HB3   LEU   71 - QD    PHE   45  15.02 +/- 1.90   1.069% *  1.7953% (0.99   0.02   0.02) =   0.037%
          HG3   LYS+ 111 - QD    PHE   45  13.24 +/- 2.34   1.450% *  0.6798% (0.38   0.02   0.02) =   0.019%
    Distance limit 4.97 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 = 2.51, residual support = 17.9:
        T QG1   VAL   75 - QE    PHE   45   3.80 +/- 2.66  75.595% * 99.9191% (0.90 10.00   2.51  17.95) =  99.974%  kept
          QD1   LEU  115 - QE    PHE   45   9.96 +/- 2.52  24.405% *  0.0809% (0.73  1.00   0.02   0.02) =   0.026%
    Distance limit 5.02 A violated in 2 structures by 0.65 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.598, support = 0.725, residual support = 12.0:
          HB    ILE   89 - QE    PHE   45   7.71 +/- 3.37  31.161% * 94.4406% (0.61   0.75  12.38) =  96.643%  kept
          HB    VAL   43 - QE    PHE   45   3.46 +/- 1.53  59.462% *  1.5584% (0.38   0.02   0.02) =   3.043%  kept
          QD    LYS+  81 - QE    PHE   45  10.79 +/- 3.39   4.218% *  1.2816% (0.31   0.02   0.02) =   0.178%  kept
          QG1   ILE   56 - QE    PHE   45  10.05 +/- 1.82   3.026% *  0.6407% (0.15   0.02   0.02) =   0.064%
          HB2   LYS+  99 - QE    PHE   45  13.61 +/- 1.22   1.101% *  1.1545% (0.28   0.02   0.02) =   0.042%
          HB3   LYS+  99 - QE    PHE   45  13.95 +/- 1.41   1.031% *  0.9244% (0.22   0.02   0.02) =   0.031%
    Distance limit 5.10 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 = 7.91:
          HB3   MET   96 - QE    PHE   45   4.33 +/- 1.47  75.240% * 93.5948% (0.45   1.99   7.96) =  99.474%  kept
          HB3   ARG+  54 - QE    PHE   45  15.11 +/- 2.12   8.996% *  1.9359% (0.92   0.02   0.02) =   0.246%  kept
          HB    VAL   18 - QE    PHE   45  15.50 +/- 5.80   5.765% *  1.4405% (0.69   0.02   0.02) =   0.117%  kept
          HB2   LEU   40 - QE    PHE   45  13.78 +/- 1.21   3.980% *  1.7517% (0.84   0.02   0.02) =   0.098%
          HB2   LEU   67 - QE    PHE   45  13.51 +/- 1.91   4.597% *  0.8622% (0.41   0.02   0.02) =   0.056%
          HB3   GLU-  14 - QE    PHE   45  21.57 +/- 4.61   1.421% *  0.4150% (0.20   0.02   0.02) =   0.008%
    Distance limit 5.17 A violated in 1 structures by 0.27 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.262, support = 1.75, residual support = 7.38:
        T HB2   MET   96 - QE    PHE   45   4.37 +/- 1.20  47.204% * 78.2045% (0.22 10.00   1.80   7.96) =  91.663%  kept
          HB3   ASP-  76 - QE    PHE   45   8.17 +/- 2.83  17.272% * 17.7294% (0.73  1.00   1.25   1.09) =   7.604%  kept
          QG    GLN   90 - QE    PHE   45   9.75 +/- 2.30  11.099% *  1.7861% (0.22  1.00   0.41   0.02) =   0.492%  kept
          HG3   MET   92 - QE    PHE   45   9.77 +/- 2.01  12.539% *  0.3765% (0.97  1.00   0.02   0.02) =   0.117%  kept
        T HB3   PHE   72 - QE    PHE   45  10.74 +/- 2.21   4.006% *  0.6832% (0.18 10.00   0.02   0.02) =   0.068%
          HB2   ASP- 105 - QE    PHE   45  11.32 +/- 1.78   3.656% *  0.3601% (0.92  1.00   0.02   0.02) =   0.033%
          HB2   GLU-  29 - QE    PHE   45  17.24 +/- 3.34   0.999% *  0.3499% (0.90  1.00   0.02   0.02) =   0.009%
          HG12  ILE  119 - QE    PHE   45  14.25 +/- 2.35   1.522% *  0.2052% (0.53  1.00   0.02   0.02) =   0.008%
          HG2   GLU- 100 - QE    PHE   45  16.57 +/- 1.82   0.886% *  0.2524% (0.65  1.00   0.02   0.02) =   0.006%
          QG    GLU-  14 - QE    PHE   45  19.57 +/- 4.33   0.817% *  0.0528% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 5.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 79.8:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  96.385% * 99.8696% (0.53  10.0 10.00   1.00  79.82) =  99.995%  kept
          HZ3   TRP   27 - QE    PHE   45   9.99 +/- 3.39   3.615% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.005%
    Distance limit 4.12 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 = 79.8:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.036% * 99.6976% (0.65  10.0   3.62  79.82) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  15.24 +/- 3.43   0.453% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  18.22 +/- 2.21   0.215% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  20.10 +/- 4.26   0.296% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.798, support = 1.99, residual support = 7.93:
          HB3   MET   96 - QD    PHE   45   5.33 +/- 1.30  68.535% * 96.5033% (0.80   2.00   7.96) =  99.720%  kept
          HB3   ARG+  54 - QD    PHE   45  13.12 +/- 1.96   8.867% *  0.7320% (0.61   0.02   0.02) =   0.098%
          HB2   LEU   40 - QD    PHE   45  14.27 +/- 0.73   5.163% *  1.2069% (1.00   0.02   0.02) =   0.094%
          HB    VAL   18 - QD    PHE   45  15.27 +/- 5.93   7.474% *  0.4117% (0.34   0.02   0.02) =   0.046%
          HB2   LEU   67 - QD    PHE   45  13.18 +/- 2.05   7.331% *  0.1862% (0.15   0.02   0.02) =   0.021%
          HB3   GLU-  14 - QD    PHE   45  21.80 +/- 4.43   1.938% *  0.5874% (0.49   0.02   0.02) =   0.017%
          HG3   MET   11 - QD    PHE   45  28.53 +/- 4.65   0.692% *  0.3725% (0.31   0.02   0.02) =   0.004%
    Distance limit 5.39 A violated in 3 structures by 0.55 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.877, support = 1.95, residual support = 5.69:
          HB2   MET   96 - QD    PHE   45   5.50 +/- 0.93  44.872% * 47.5283% (0.87   2.00   7.96) =  67.221%  kept
          HB3   ASP-  76 - QD    PHE   45   8.04 +/- 2.38  20.463% * 48.6672% (0.92   1.92   1.09) =  31.390%  kept
          HG3   MET   92 - QD    PHE   45   8.29 +/- 1.69  18.437% *  2.1376% (0.34   0.23   0.02) =   1.242%  kept
          HB2   ASP- 105 - QD    PHE   45  11.61 +/- 1.32   4.997% *  0.3979% (0.73   0.02   0.02) =   0.063%
          HB    VAL   70 - QD    PHE   45  12.75 +/- 1.47   3.969% *  0.2457% (0.45   0.02   0.02) =   0.031%
          HG2   GLU- 100 - QD    PHE   45  17.86 +/- 1.70   1.247% *  0.5288% (0.97   0.02   0.02) =   0.021%
          QG    GLN   17 - QD    PHE   45  16.38 +/- 4.11   2.926% *  0.2056% (0.38   0.02   0.02) =   0.019%
          HB2   GLU-  25 - QD    PHE   45  18.03 +/- 3.30   1.607% *  0.1523% (0.28   0.02   0.02) =   0.008%
          HB2   GLU-  29 - QD    PHE   45  18.01 +/- 2.65   1.481% *  0.1366% (0.25   0.02   0.02) =   0.006%
    Distance limit 5.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.8, support = 5.06, residual support = 79.8:
      O T HB3   PHE   45 - QD    PHE   45   2.39 +/- 0.18  73.848% * 99.5701% (0.80  10.0 10.00   5.06  79.82) =  99.965%  kept
          HB3   ASP-  86 - QD    PHE   45   9.58 +/- 3.34  13.877% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.020%
          QE    LYS+ 112 - QD    PHE   45  11.72 +/- 2.95   9.303% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.013%
          HB    VAL  107 - QD    PHE   45   8.13 +/- 0.91   2.122% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - QD    PHE   45  12.87 +/- 1.70   0.655% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  19.26 +/- 2.95   0.196% *  0.1200% (0.97   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.35, residual support = 79.8:
      O T HB2   PHE   45 - QD    PHE   45   2.62 +/- 0.12  97.304% * 99.8423% (0.97  10.0 10.00   4.35  79.82) =  99.998%  kept
          QE    LYS+ 111 - QD    PHE   45  13.22 +/- 2.32   1.415% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - QD    PHE   45  13.18 +/- 4.21   1.281% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.51 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 = 0.682, support = 3.26, residual support = 27.4:
          HB    THR   94 - QD    PHE   45   3.27 +/- 0.74  62.147% * 90.1570% (0.69   3.29  27.69) =  98.883%  kept
          HA    ALA   88 - QD    PHE   45  10.01 +/- 2.89   9.741% *  4.6920% (0.15   0.76   0.85) =   0.807%  kept
          QB    SER   85 - QD    PHE   45  10.37 +/- 3.14  11.433% *  0.7556% (0.95   0.02   0.02) =   0.152%  kept
          HA    LYS+  65 - QD    PHE   45  13.07 +/- 2.47   4.927% *  0.7163% (0.90   0.02   0.02) =   0.062%
          QB    SER   48 - QD    PHE   45   9.37 +/- 0.78   3.999% *  0.6396% (0.80   0.02   0.02) =   0.045%
          HA2   GLY   51 - QD    PHE   45  13.93 +/- 1.53   2.377% *  0.4202% (0.53   0.02   0.02) =   0.018%
          HD2   PRO   52 - QD    PHE   45  11.94 +/- 1.61   1.945% *  0.2465% (0.31   0.02   0.02) =   0.008%
          HA    ALA  120 - QD    PHE   45  17.97 +/- 1.93   0.512% *  0.7708% (0.97   0.02   0.02) =   0.007%
          HA2   GLY   16 - QD    PHE   45  20.65 +/- 5.28   0.510% *  0.7556% (0.95   0.02   0.02) =   0.007%
          HA    LYS+ 121 - QD    PHE   45  18.54 +/- 2.67   0.474% *  0.4844% (0.61   0.02   0.02) =   0.004%
          QB    SER  117 - QD    PHE   45  13.82 +/- 1.29   0.983% *  0.2221% (0.28   0.02   0.02) =   0.004%
          HA    GLN   32 - QD    PHE   45  17.77 +/- 2.62   0.951% *  0.1399% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.336, support = 4.21, residual support = 17.7:
          HA    ASP-  44 - QD    PHE   45   3.27 +/- 0.83  48.599% * 81.5721% (0.34   4.54  18.44) =  91.052%  kept
          HB    THR   77 - QD    PHE   45   5.27 +/- 2.82  29.162% * 12.8601% (0.28   0.88  10.03) =   8.613%  kept
          HA    TRP   87 - QD    PHE   45  10.14 +/- 3.60   8.382% *  0.6933% (0.15   0.09   0.02) =   0.133%  kept
          HA    ASP-  86 - QD    PHE   45  11.18 +/- 3.57   5.093% *  1.0321% (0.98   0.02   0.02) =   0.121%  kept
          HA    LEU  104 - QD    PHE   45  14.06 +/- 1.49   1.296% *  0.8795% (0.84   0.02   0.02) =   0.026%
          HA    SER   85 - QD    PHE   45  11.05 +/- 3.31   3.757% *  0.2927% (0.28   0.02   0.02) =   0.025%
          HA    ILE  103 - QD    PHE   45  11.76 +/- 1.52   2.973% *  0.2084% (0.20   0.02   0.02) =   0.014%
          HA    GLU-  14 - QD    PHE   45  22.17 +/- 4.09   0.372% *  1.0506% (1.00   0.02   0.02) =   0.009%
          HA    ALA   12 - QD    PHE   45  25.91 +/- 4.18   0.211% *  1.0161% (0.97   0.02   0.02) =   0.005%
          HA    MET   11 - QD    PHE   45  27.48 +/- 3.96   0.155% *  0.3952% (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 = 5.0, residual support = 78.7:
          HA    PHE   45 - QD    PHE   45   2.86 +/- 0.52  88.642% * 85.6215% (0.25   5.06  79.82) =  98.591%  kept
          HA    MET   92 - QD    PHE   45   7.29 +/- 1.20   8.845% * 11.9358% (0.25   0.71   0.02) =   1.371%  kept
          HA    VAL   41 - QD    PHE   45  10.81 +/- 0.73   1.921% *  1.0862% (0.80   0.02   0.02) =   0.027%
          HA    HIS  122 - QD    PHE   45  17.92 +/- 3.29   0.591% *  1.3565% (1.00   0.02   0.02) =   0.010%
    Distance limit 5.40 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 = 5.41, residual support = 67.7:
          HN    PHE   45 - QD    PHE   45   2.35 +/- 0.78  74.225% * 56.4307% (0.45   5.67  79.82) =  80.211%  kept
          HN    ASP-  44 - QD    PHE   45   4.24 +/- 0.64  23.993% * 43.0485% (0.45   4.33  18.44) =  19.779%  kept
          HN    ALA  110 - QD    PHE   45  10.42 +/- 2.59   1.210% *  0.3049% (0.69   0.02   0.02) =   0.007%
          HN    GLU-  25 - QD    PHE   45  15.81 +/- 3.51   0.572% *  0.2160% (0.49   0.02   0.02) =   0.002%
    Distance limit 5.36 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 = 79.8:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  98.532% * 99.7606% (0.98  10.0   1.00  79.82) =  99.998%  kept
          QD    PHE   72 - HZ    PHE   45  10.16 +/- 2.22   1.288% *  0.1766% (0.87   1.0   0.02   0.02) =   0.002%
          HD22  ASN   69 - HZ    PHE   45  19.54 +/- 3.11   0.180% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.543, support = 4.52, residual support = 63.4:
          HN    TRP   49 - HD1   TRP   49   2.61 +/- 0.53  82.908% * 33.6799% (0.38   4.86  86.03) =  72.286%  kept
          HN    CYS   50 - HD1   TRP   49   4.62 +/- 0.62  16.194% * 66.0959% (0.98   3.65   4.26) =  27.709%  kept
          HN    VAL   83 - HD1   TRP   49  15.58 +/- 3.87   0.898% *  0.2242% (0.61   0.02   0.02) =   0.005%
    Distance limit 4.37 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 = 2.29, residual support = 86.0:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.29  86.03) = 100.000%  kept
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 86.0:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  98.470% * 99.8040% (0.41  10.0   1.00  86.03) =  99.999%  kept
          QD    PHE   97 - HZ2   TRP   49  16.12 +/- 4.00   1.285% *  0.0749% (0.15   1.0   0.02   0.02) =   0.001%
          HE21  GLN   30 - HZ2   TRP   49  22.86 +/- 4.85   0.245% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 86.0:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  86.03) = 100.000%  kept
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 86.0:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.764% * 99.8708% (1.00  10.0   1.00  86.03) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  21.13 +/- 3.57   0.236% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.915, support = 1.4, residual support = 6.77:
          QG2   VAL   83 - HZ    PHE   45   7.00 +/- 3.94  41.423% * 45.2309% (0.99   1.22   1.96) =  51.484%  kept
          QD1   ILE   89 - HZ    PHE   45   7.75 +/- 4.01  32.562% * 52.0526% (0.84   1.66  12.38) =  46.574%  kept
          QD2   LEU   31 - HZ    PHE   45  11.15 +/- 3.70  26.015% *  2.7165% (0.80   0.09   0.02) =   1.942%  kept
    Distance limit 5.24 A violated in 7 structures by 1.08 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.69, residual support = 86.0:
      O T HB2   TRP   49 - HD1   TRP   49   3.83 +/- 0.09  77.639% * 99.5547% (0.65  10.0 10.00   4.69  86.03) =  99.984%  kept
          HA2   GLY  109 - HD1   TRP   49  15.34 +/- 4.17  13.742% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.008%
          HA    ALA   84 - HD1   TRP   49  13.27 +/- 3.09   3.670% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.003%
          HA    VAL   75 - HD1   TRP   49  15.54 +/- 4.49   2.609% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - HD1   TRP   49  15.63 +/- 2.32   1.454% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - HD1   TRP   49  21.56 +/- 2.33   0.485% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HD1   TRP   49  22.98 +/- 2.39   0.401% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.71, residual support = 86.0:
      O T HB3   TRP   49 - HD1   TRP   49   2.78 +/- 0.15  99.442% * 99.9191% (0.90  10.0 10.00   4.71  86.03) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.40 +/- 1.96   0.558% *  0.0809% (0.73   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 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.81, residual support = 16.2:
          QB    ALA   47 - HD1   TRP   49   3.24 +/- 0.48  90.562% * 99.0348% (0.84   3.81  16.17) =  99.970%  kept
          QB    ALA   64 - HD1   TRP   49  14.51 +/- 4.01   4.418% *  0.2792% (0.45   0.02   0.02) =   0.014%
          HG2   LYS+ 112 - HD1   TRP   49  17.50 +/- 4.17   3.595% *  0.2337% (0.38   0.02   0.02) =   0.009%
          QG1   VAL   42 - HD1   TRP   49  14.76 +/- 1.59   1.426% *  0.4523% (0.73   0.02   0.02) =   0.007%
    Distance limit 5.11 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 = 0.84, support = 0.69, residual support = 2.69:
          HB3   PRO   52 - HZ2   TRP   49   8.92 +/- 4.33  21.808% * 58.8811% (0.87  1.00   0.75   2.99) =  90.002%  kept
          HG12  ILE  103 - HZ2   TRP   49  20.04 +/- 5.76   4.196% * 15.9295% (0.61  1.00   0.29   0.02) =   4.685%  kept
        T HG    LEU  123 - HZ2   TRP   49  22.30 +/- 4.41   1.047% * 15.7016% (0.87 10.00   0.02   0.02) =   1.152%  kept
          HB    ILE  103 - HZ2   TRP   49  21.03 +/- 6.84   9.612% *  1.3144% (0.73  1.00   0.02   0.02) =   0.886%  kept
          HB3   GLN   90 - HZ2   TRP   49  10.98 +/- 5.07  15.518% *  0.8115% (0.45  1.00   0.02   0.02) =   0.883%  kept
          QB    LYS+  66 - HZ2   TRP   49  16.96 +/- 6.74  17.855% *  0.5033% (0.28  1.00   0.02   0.02) =   0.630%  kept
          HG2   ARG+  54 - HZ2   TRP   49  10.97 +/- 1.83   5.824% *  1.2434% (0.69  1.00   0.02   0.02) =   0.508%  kept
          QB    LYS+ 106 - HZ2   TRP   49  14.69 +/- 5.20  11.214% *  0.6175% (0.34  1.00   0.02   0.02) =   0.485%  kept
          QB    LYS+  81 - HZ2   TRP   49  15.93 +/- 3.94   7.975% *  0.6794% (0.38  1.00   0.02   0.02) =   0.380%  kept
          HG3   PRO   68 - HZ2   TRP   49  22.72 +/- 6.19   1.604% *  1.3834% (0.76  1.00   0.02   0.02) =   0.155%  kept
          HB3   ASP- 105 - HZ2   TRP   49  19.50 +/- 5.12   1.544% *  1.1710% (0.65  1.00   0.02   0.02) =   0.127%  kept
          HB    VAL   41 - HZ2   TRP   49  19.79 +/- 4.13   1.252% *  0.8115% (0.45  1.00   0.02   0.02) =   0.071%
          QB    LYS+  33 - HZ2   TRP   49  24.88 +/- 3.86   0.551% *  0.9524% (0.53  1.00   0.02   0.02) =   0.037%
    Distance limit 5.02 A violated in 0 structures by 0.44 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 2.02, residual support = 16.1:
          QB    ALA   47 - HZ2   TRP   49   4.15 +/- 1.27  58.406% * 97.9995% (0.69   2.03  16.17) =  99.503%  kept
          QB    ALA   64 - HZ2   TRP   49  13.13 +/- 4.80  25.407% *  0.8532% (0.61   0.02   0.02) =   0.377%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  15.03 +/- 5.06  13.443% *  0.3508% (0.25   0.02   0.02) =   0.082%
          QG1   VAL   42 - HZ2   TRP   49  13.10 +/- 2.52   2.744% *  0.7964% (0.57   0.02   0.02) =   0.038%
    Distance limit 4.94 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 = 0.362, support = 0.706, residual support = 2.81:
          HG2   PRO   52 - HH2   TRP   49   7.19 +/- 4.93  37.555% * 73.0242% (0.34   0.75   2.99) =  93.974%  kept
          HG2   MET   92 - HH2   TRP   49  11.93 +/- 4.66  11.352% *  4.9520% (0.87   0.02   0.02) =   1.926%  kept
          HB2   GLU-  79 - HH2   TRP   49  18.44 +/- 4.10   9.035% *  4.1454% (0.73   0.02   0.02) =   1.283%  kept
          QG    GLU- 114 - HH2   TRP   49  14.37 +/- 3.40   6.774% *  4.5712% (0.80   0.02   0.02) =   1.061%  kept
          HB2   ASP-  44 - HH2   TRP   49  13.66 +/- 2.47  19.255% *  0.9998% (0.18   0.02   0.02) =   0.660%  kept
          QB    MET   11 - HH2   TRP   49  31.29 +/- 6.52   2.537% *  3.9214% (0.69   0.02   0.02) =   0.341%  kept
          HG3   GLU-  36 - HH2   TRP   49  30.73 +/- 4.88   1.800% *  4.9520% (0.87   0.02   0.02) =   0.305%  kept
          QG    GLU-  15 - HH2   TRP   49  25.84 +/- 7.54   4.443% *  1.4235% (0.25   0.02   0.02) =   0.217%  kept
          QG    GLU-  14 - HH2   TRP   49  26.23 +/- 7.18   5.691% *  0.8808% (0.15   0.02   0.02) =   0.172%  kept
          HG3   GLU-  25 - HH2   TRP   49  28.08 +/- 4.59   1.557% *  1.1298% (0.20   0.02   0.02) =   0.060%
    Distance limit 5.34 A violated in 7 structures by 1.49 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.854, support = 1.89, residual support = 2.78:
          HB3   PRO   52 - HH2   TRP   49   7.76 +/- 5.18  33.330% * 80.5922% (0.87   2.00   2.99) =  93.038%  kept
          HB    ILE  103 - HH2   TRP   49  21.88 +/- 7.54  13.067% * 13.8432% (0.73   0.41   0.02) =   6.265%  kept
          QB    LYS+  66 - HH2   TRP   49  16.26 +/- 7.26  21.961% *  0.2583% (0.28   0.02   0.02) =   0.196%  kept
          HB3   GLN   90 - HH2   TRP   49  12.55 +/- 5.19  10.094% *  0.4165% (0.45   0.02   0.02) =   0.146%  kept
          HG2   ARG+  54 - HH2   TRP   49   9.96 +/- 2.06   3.843% *  0.6382% (0.69   0.02   0.02) =   0.085%
          HG12  ILE  103 - HH2   TRP   49  20.88 +/- 6.50   3.943% *  0.5635% (0.61   0.02   0.02) =   0.077%
          QB    LYS+ 106 - HH2   TRP   49  15.39 +/- 5.40   5.811% *  0.3169% (0.34   0.02   0.02) =   0.064%
          QB    LYS+  81 - HH2   TRP   49  17.46 +/- 4.00   4.687% *  0.3487% (0.38   0.02   0.02) =   0.057%
          HG3   PRO   68 - HH2   TRP   49  22.13 +/- 6.76   1.032% *  0.7100% (0.76   0.02   0.02) =   0.025%
          HB3   ASP- 105 - HH2   TRP   49  19.81 +/- 5.46   0.925% *  0.6010% (0.65   0.02   0.02) =   0.019%
          HG    LEU  123 - HH2   TRP   49  21.22 +/- 4.83   0.577% *  0.8059% (0.87   0.02   0.02) =   0.016%
          HB    VAL   41 - HH2   TRP   49  20.39 +/- 4.66   0.511% *  0.4165% (0.45   0.02   0.02) =   0.007%
          QB    LYS+  33 - HH2   TRP   49  25.32 +/- 4.04   0.218% *  0.4888% (0.53   0.02   0.02) =   0.004%
    Distance limit 5.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.255, support = 2.37, residual support = 20.3:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.02  91.779% * 73.9076% (0.25  10.0   2.36  20.54) =  98.389%  kept
          HD2   ARG+  54 - QD    PHE   55   6.78 +/- 1.22   4.294% * 25.7439% (0.61   1.0   2.86   4.27) =   1.603%  kept
          HB3   CYS   53 - QD    PHE   55   7.82 +/- 0.52   2.021% *  0.1559% (0.53   1.0   0.02   0.02) =   0.005%
          HD3   PRO   93 - QD    PHE   55   9.66 +/- 3.33   1.731% *  0.1011% (0.34   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - QD    PHE   55  18.12 +/- 2.25   0.176% *  0.0915% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.855, support = 1.98, residual support = 18.1:
          HA    PHE   55 - QD    PHE   55   2.94 +/- 0.39  80.358% * 56.6838% (0.84   2.08  20.54) =  87.702%  kept
          HA    ALA  110 - QD    PHE   55   7.84 +/- 3.09  15.123% * 42.1539% (1.00   1.29   0.65) =  12.274%  kept
          HA    GLN   90 - QD    PHE   55  15.74 +/- 2.89   0.913% *  0.6308% (0.97   0.02   0.02) =   0.011%
          HA    VAL  107 - QD    PHE   55  12.06 +/- 2.13   1.634% *  0.2230% (0.34   0.02   0.02) =   0.007%
          HA    ALA   91 - QD    PHE   55  13.55 +/- 2.65   1.465% *  0.1455% (0.22   0.02   0.02) =   0.004%
          HA    VAL   42 - QD    PHE   55  16.44 +/- 2.00   0.508% *  0.1630% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.86 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 = 0.636, support = 1.28, residual support = 1.67:
          QB    ALA  110 - QD    PHE   55   6.64 +/- 2.63  34.850% * 35.2195% (0.80  1.00   0.87   0.65) =  53.606%  kept
          HB3   LEU  115 - QD    PHE   55   8.23 +/- 2.20  23.994% * 34.3141% (0.31  1.00   2.20   3.66) =  35.958%  kept
          QB    ALA   61 - QD    PHE   55   9.16 +/- 1.04  14.182% * 13.5242% (0.97  1.00   0.28   0.02) =   8.377%  kept
        T QG    LYS+  66 - QD    PHE   55  15.16 +/- 1.39   3.214% *  9.5823% (0.95 10.00   0.02   0.02) =   1.345%  kept
        T HG    LEU   67 - QD    PHE   55  17.99 +/- 1.86   2.676% *  2.2552% (0.22 10.00   0.02   0.02) =   0.264%  kept
          HB3   LEU   67 - QD    PHE   55  17.36 +/- 2.18   2.406% *  1.0130% (1.00  1.00   0.02   0.02) =   0.106%  kept
          HG    LEU   73 - QD    PHE   55  18.87 +/- 3.19   2.859% *  0.8111% (0.80  1.00   0.02   0.02) =   0.101%  kept
          HD3   LYS+ 121 - QD    PHE   55  15.96 +/- 2.41   6.034% *  0.2005% (0.20  1.00   0.02   0.02) =   0.053%
          HG    LEU   80 - QD    PHE   55  21.06 +/- 3.19   1.208% *  0.8461% (0.84  1.00   0.02   0.02) =   0.045%
          HG12  ILE   19 - QD    PHE   55  22.38 +/- 2.56   1.253% *  0.7356% (0.73  1.00   0.02   0.02) =   0.040%
          HG    LEU   40 - QD    PHE   55  18.43 +/- 2.42   2.869% *  0.3127% (0.31  1.00   0.02   0.02) =   0.039%
          HG2   LYS+ 102 - QD    PHE   55  25.65 +/- 2.90   1.096% *  0.6958% (0.69  1.00   0.02   0.02) =   0.033%
          HB2   LEU   80 - QD    PHE   55  20.52 +/- 2.49   1.258% *  0.3127% (0.31  1.00   0.02   0.02) =   0.017%
          HB3   LYS+  74 - QD    PHE   55  18.53 +/- 2.13   2.099% *  0.1774% (0.18  1.00   0.02   0.02) =   0.016%
    Distance limit 4.74 A violated in 7 structures by 1.16 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.68, residual support = 3.6:
          QD2   LEU  115 - QD    PHE   55   6.35 +/- 2.08  51.411% * 86.3508% (0.87  1.00   1.70   3.66) =  98.327%  kept
        T QD2   LEU   80 - QD    PHE   55  17.75 +/- 2.51   3.705% *  9.7619% (0.84 10.00   0.02   0.02) =   0.801%  kept
          QD1   LEU   63 - QD    PHE   55  10.66 +/- 1.84  17.505% *  1.1661% (1.00  1.00   0.02   0.02) =   0.452%  kept
          QD2   LEU   63 - QD    PHE   55  11.55 +/- 1.49  13.248% *  0.6149% (0.53  1.00   0.02   0.02) =   0.180%  kept
          QD1   LEU   73 - QD    PHE   55  16.08 +/- 2.92   5.960% *  1.1661% (1.00  1.00   0.02   0.02) =   0.154%  kept
          QD1   LEU  104 - QD    PHE   55  17.39 +/- 2.84   4.129% *  0.7089% (0.61  1.00   0.02   0.02) =   0.065%
          QG1   VAL   83 - QD    PHE   55  16.74 +/- 1.95   4.043% *  0.2313% (0.20  1.00   0.02   0.02) =   0.021%
    Distance limit 4.95 A violated in 8 structures by 1.38 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.975, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   4.65 +/- 1.67  93.377% * 72.5341% (0.99   0.02   0.02) =  97.384%  kept
          HB3   TRP   49 - QE    PHE   95  14.10 +/- 1.53   6.623% * 27.4659% (0.38   0.02   0.02) =   2.616%  kept
    Distance limit 4.88 A violated in 3 structures by 0.54 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 = 0.631, support = 1.27, residual support = 8.6:
        T QE    LYS+ 112 - QE    PHE   95   5.95 +/- 2.22  28.397% * 79.9264% (0.69 10.00   1.09   4.12) =  83.874%  kept
          HB    VAL  107 - QE    PHE   95   4.67 +/- 0.52  38.554% *  8.4650% (0.28  1.00   2.85  41.95) =  12.060%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.11 +/- 1.62  11.169% *  6.3125% (0.57 10.00   0.10   0.02) =   2.605%  kept
          HB3   PHE   45 - QE    PHE   95   7.39 +/- 1.32  14.165% *  1.6458% (0.69  1.00   0.22   1.89) =   0.861%  kept
          HG3   MET   96 - QE    PHE   95   9.60 +/- 0.87   4.827% *  3.2356% (0.20  1.00   1.53  11.97) =   0.577%  kept
          HB3   ASP-  86 - QE    PHE   95  15.31 +/- 3.02   2.413% *  0.2018% (0.95  1.00   0.02   0.02) =   0.018%
          HG2   GLU-  29 - QE    PHE   95  21.06 +/- 2.75   0.474% *  0.2129% (1.00  1.00   0.02   0.02) =   0.004%
    Distance limit 5.48 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 = 0.645, support = 0.561, residual support = 0.392:
          QG1   ILE   56 - QE    PHE   95   3.47 +/- 1.83  45.316% * 19.0254% (0.53   0.56   0.57) =  55.459%  kept
          HD2   LYS+ 111 - QE    PHE   95   9.37 +/- 1.99  11.807% * 32.4750% (0.69   0.74   0.13) =  24.665%  kept
          HB2   LEU   73 - QE    PHE   95  11.18 +/- 3.72   9.183% * 20.9773% (0.92   0.35   0.37) =  12.391%  kept
          QD    LYS+ 106 - QE    PHE   95   9.70 +/- 0.75   4.151% * 23.3858% (1.00   0.36   0.02) =   6.244%  kept
          HB3   MET   92 - QE    PHE   95   7.71 +/- 1.56   7.055% *  1.0284% (0.80   0.02   0.02) =   0.467%  kept
          HG3   PRO   93 - QE    PHE   95   5.98 +/- 1.95  14.742% *  0.4820% (0.38   0.02   0.02) =   0.457%  kept
          QD    LYS+  99 - QE    PHE   95  14.73 +/- 1.20   1.913% *  1.2843% (1.00   0.02   0.02) =   0.158%  kept
          HB2   LEU  123 - QE    PHE   95  12.57 +/- 2.03   2.058% *  0.5280% (0.41   0.02   0.02) =   0.070%
          QD    LYS+ 102 - QE    PHE   95  16.38 +/- 1.88   2.488% *  0.2859% (0.22   0.02   0.02) =   0.046%
          HB3   LYS+  99 - QE    PHE   95  15.30 +/- 1.21   1.287% *  0.5280% (0.41   0.02   0.02) =   0.044%
    Distance limit 5.30 A violated in 0 structures by 0.09 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 = 0.624, support = 2.36, residual support = 34.9:
          QG2   VAL  107 - QE    PHE   95   3.52 +/- 0.85  55.002% * 51.9874% (0.69  1.00   2.53  41.95) =  78.940%  kept
          HB3   LYS+ 112 - QE    PHE   95   6.60 +/- 1.81  20.159% * 19.9786% (0.38  1.00   1.78   4.12) =  11.119%  kept
          QG2   THR   94 - QE    PHE   95   5.74 +/- 0.65  17.101% * 18.8725% (0.34  1.00   1.85  14.82) =   8.910%  kept
          HG13  ILE  103 - QE    PHE   95  12.55 +/- 1.87   4.476% *  7.9686% (1.00  1.00   0.27   0.02) =   0.985%  kept
        T QB    ALA   20 - QE    PHE   95  13.54 +/- 2.04   1.250% *  0.9244% (0.15 10.00   0.02   0.02) =   0.032%
          HG2   LYS+ 121 - QE    PHE   95  12.44 +/- 2.11   2.012% *  0.2686% (0.45  1.00   0.02   0.02) =   0.015%
    Distance limit 5.36 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 = 0.898, support = 2.64, residual support = 5.87:
          QD2   LEU  115 - QE    PHE   95   4.04 +/- 1.51  39.655% * 51.7424% (0.87  1.00   3.34   7.96) =  69.512%  kept
          QD1   LEU   63 - QE    PHE   95   5.73 +/- 2.28  27.528% * 18.2392% (1.00  1.00   1.02   1.58) =  17.010%  kept
          QD1   LEU   73 - QE    PHE   95   9.81 +/- 3.25  16.186% * 20.5991% (1.00  1.00   1.16   0.37) =  11.295%  kept
          QD2   LEU   63 - QE    PHE   95   6.81 +/- 1.64   8.315% *  6.1476% (0.53  1.00   0.65   1.58) =   1.732%  kept
        T QD2   LEU   80 - QE    PHE   95  12.61 +/- 2.38   4.274% *  2.9842% (0.84 10.00   0.02   0.02) =   0.432%  kept
          QD1   LEU  104 - QE    PHE   95  11.60 +/- 2.10   1.773% *  0.2167% (0.61  1.00   0.02   0.02) =   0.013%
          QG1   VAL   83 - QE    PHE   95  11.94 +/- 2.23   2.268% *  0.0707% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.343, support = 1.48, residual support = 7.82:
        T QD1   LEU  115 - QE    PHE   95   3.00 +/- 1.65  69.767% * 90.9913% (0.34 10.00   1.50   7.96) =  98.192%  kept
          QB    ALA   64 - QE    PHE   95   7.03 +/- 1.63  10.901% *  6.7896% (0.57  1.00   0.67   0.50) =   1.145%  kept
          QG1   VAL   75 - QE    PHE   95   6.83 +/- 2.03  19.331% *  2.2191% (0.20  1.00   0.63   0.02) =   0.664%  kept
    Distance limit 4.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.833, support = 1.12, residual support = 72.3:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  90.130% * 96.3790% (0.84  10.0   1.11  72.53) =  99.662%  kept
          HN    LEU   63 - QD    PHE   60   4.96 +/- 0.47   8.920% *  3.2848% (0.15   1.0   2.06   9.68) =   0.336%  kept
          HD21  ASN   28 - QD    PHE   60  15.08 +/- 2.90   0.619% *  0.1504% (0.73   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD    PHE   60  16.93 +/- 3.96   0.331% *  0.1858% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 3.78, residual support = 72.5:
      O T HB3   PHE   60 - QD    PHE   60   2.49 +/- 0.15  90.715% * 99.7227% (0.73  10.0 10.00   3.79  72.53) =  99.997%  kept
          QE    LYS+  65 - QD    PHE   60   8.58 +/- 2.05   4.897% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - QD    PHE   60  12.74 +/- 1.65   0.796% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QD    PHE   60  16.43 +/- 3.52   0.822% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  17.97 +/- 3.07   0.322% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  11.66 +/- 1.97   1.378% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  12.62 +/- 2.04   1.072% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 0.867, support = 1.68, residual support = 2.89:
          QD1   ILE   56 - QD    PHE   60   4.35 +/- 1.71  53.986% * 29.3982% (0.99  1.00   1.29   4.08) =  49.835%  kept
          QD2   LEU   73 - QD    PHE   60   6.84 +/- 2.69  31.237% * 44.0967% (0.84  1.00   2.30   1.96) =  43.253%  kept
        T QG1   VAL   41 - QD    PHE   60  10.10 +/- 1.21   8.429% * 25.8736% (0.18 10.00   0.64   0.12) =   6.848%  kept
          HG    LEU   31 - QD    PHE   60  13.91 +/- 2.55   3.835% *  0.3157% (0.69  1.00   0.02   0.02) =   0.038%
          HG3   LYS+ 121 - QD    PHE   60  14.12 +/- 1.86   2.512% *  0.3157% (0.69  1.00   0.02   0.02) =   0.025%
    Distance limit 4.45 A violated in 2 structures by 0.40 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.69, residual support = 2.57:
          QB    ALA   64 - QD    PHE   60   4.02 +/- 1.80 100.000% *100.0000% (0.95   1.69   2.57) = 100.000%  kept
    Distance limit 4.38 A violated in 3 structures by 0.67 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.07, residual support = 62.2:
          HN    PHE   97 - QD    PHE   97   3.04 +/- 0.74  91.646% * 99.3230% (0.97   4.07  62.24) =  99.969%  kept
          HN    LEU  115 - QD    PHE   97   9.81 +/- 1.86   5.042% *  0.4883% (0.97   0.02   0.02) =   0.027%
          HN    ASP- 113 - QD    PHE   97  12.77 +/- 1.99   3.026% *  0.1001% (0.20   0.02   0.02) =   0.003%
          HN    ALA   12 - QD    PHE   97  24.40 +/- 3.31   0.286% *  0.0886% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.18 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 = 0.673, support = 0.839, residual support = 1.09:
          HA    THR  118 - QD    PHE   97   8.70 +/- 4.28  27.757% * 47.7118% (0.61   0.93   1.62) =  55.312%  kept
          HA    ILE  119 - QD    PHE   97   9.79 +/- 4.73  21.314% * 48.4247% (0.76   0.75   0.44) =  43.108%  kept
          HA    VAL   75 - QD    PHE   97  12.62 +/- 2.89  14.116% *  0.8890% (0.53   0.02   0.02) =   0.524%  kept
          HB2   TRP   49 - QD    PHE   97  19.46 +/- 4.18   6.728% *  1.1607% (0.69   0.02   0.02) =   0.326%  kept
          HA2   GLY  109 - QD    PHE   97  11.90 +/- 1.00  12.413% *  0.5215% (0.31   0.02   0.02) =   0.270%  kept
          HA    ALA   84 - QD    PHE   97  17.54 +/- 4.01   7.626% *  0.8225% (0.49   0.02   0.02) =   0.262%  kept
          HD3   PRO   58 - QD    PHE   97  13.62 +/- 2.34  10.045% *  0.4698% (0.28   0.02   0.02) =   0.197%  kept
    Distance limit 4.76 A violated in 8 structures by 1.72 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 61.7:
      O T HB2   PHE   97 - QD    PHE   97   2.45 +/- 0.15  78.408% * 89.9513% (0.90  10.0 10.00   2.44  62.24) =  98.951%  kept
          QE    LYS+ 106 - QD    PHE   97   6.73 +/- 1.06   7.498% *  9.8615% (0.95   1.0  1.00   2.08  11.23) =   1.037%  kept
          HB3   TRP   27 - QD    PHE   97  13.79 +/- 4.47   5.629% *  0.0870% (0.87   1.0  1.00   0.02   0.02) =   0.007%
          HB3   PHE   60 - QD    PHE   97   9.94 +/- 2.59   3.204% *  0.0803% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          QE    LYS+  99 - QD    PHE   97   6.62 +/- 0.97   5.260% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.15 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 = 62.2:
      O T HB3   PHE   97 - QD    PHE   97   2.45 +/- 0.14  95.151% * 99.7112% (1.00  10.0 10.00   2.74  62.24) =  99.997%  kept
          HB2   GLU- 100 - QD    PHE   97  10.91 +/- 1.11   1.233% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  12.32 +/- 2.13   0.894% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  15.98 +/- 3.13   2.050% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - QD    PHE   97  14.44 +/- 2.86   0.673% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.62 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 = 0.811, support = 1.73, residual support = 5.33:
          QG1   VAL  107 - QD    PHE   97   3.96 +/- 1.07  70.333% * 66.6644% (0.84   1.74   5.63) =  94.153%  kept
          HG13  ILE  119 - QD    PHE   97  10.48 +/- 3.11   8.855% * 31.1040% (0.41   1.65   0.44) =   5.531%  kept
          QG1   VAL   24 - QD    PHE   97  14.61 +/- 4.57   9.410% *  0.9189% (1.00   0.02   0.02) =   0.174%  kept
          HD3   LYS+ 112 - QD    PHE   97  13.82 +/- 2.71   4.904% *  0.9007% (0.98   0.02   0.02) =   0.089%
          HB3   LEU   31 - QD    PHE   97  12.51 +/- 4.25   6.498% *  0.4120% (0.45   0.02   0.02) =   0.054%
    Distance limit 4.48 A violated in 1 structures by 0.22 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.702, support = 3.04, residual support = 14.9:
          HB2   LEU  104 - QD    PHE   97   3.76 +/- 0.89  67.851% * 60.5264% (0.69   3.30  16.72) =  88.768%  kept
          QD1   ILE  119 - QD    PHE   97   9.20 +/- 2.88  12.571% * 29.2402% (0.95   1.16   0.44) =   7.945%  kept
          QG2   VAL  108 - QD    PHE   97   7.09 +/- 0.87  15.201% *  9.9093% (0.53   0.71   0.02) =   3.256%  kept
          HB    VAL   75 - QD    PHE   97  11.11 +/- 2.58   4.376% *  0.3241% (0.61   0.02   0.02) =   0.031%
    Distance limit 4.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 1.26, residual support = 1.59:
          QG2   THR  118 - QD    PHE   97   5.74 +/- 4.07  62.221% * 97.3680% (0.20   1.28   1.62) =  98.385%  kept
          QG2   VAL   70 - QD    PHE   97   7.31 +/- 3.13  37.779% *  2.6320% (0.34   0.02   0.02) =   1.615%  kept
    Distance limit 4.81 A violated in 5 structures by 1.27 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.931, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   9.27 +/- 1.98  65.733% * 85.0969% (1.00   0.02   0.02) =  91.634%  kept
          QB    ALA   47 - QD    PHE   97  12.99 +/- 2.61  34.267% * 14.9031% (0.18   0.02   0.02) =   8.366%  kept
    Distance limit 5.19 A violated in 19 structures by 3.49 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.964, support = 2.88, residual support = 28.6:
          HN    LEU  115 - QD    PHE   59   4.77 +/- 0.66  71.531% * 99.0458% (0.97   2.88  28.63) =  99.879%  kept
          HN    PHE   97 - QD    PHE   59  10.76 +/- 2.16   8.415% *  0.6882% (0.97   0.02   0.02) =   0.082%
          HN    ASP- 113 - QD    PHE   59   7.76 +/- 0.87  19.128% *  0.1411% (0.20   0.02   0.02) =   0.038%
          HN    ALA   12 - QD    PHE   59  24.20 +/- 3.85   0.927% *  0.1249% (0.18   0.02   0.02) =   0.002%
    Distance limit 5.40 A violated in 0 structures by 0.12 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.605, support = 2.86, residual support = 55.3:
          HA    PHE   59 - QD    PHE   59   2.53 +/- 0.49  71.815% * 67.6924% (0.61   3.01  57.85) =  93.524%  kept
          HA    ILE   56 - QD    PHE   59   4.94 +/- 1.11  18.245% * 16.8548% (0.61   0.75  20.27) =   5.916%  kept
          HA    LEU  123 - QD    PHE   59   9.67 +/- 0.93   1.728% * 13.5263% (0.49   0.75   0.02) =   0.450%  kept
          HA    ASP- 113 - QD    PHE   59   7.21 +/- 1.20   7.019% *  0.7394% (1.00   0.02   0.02) =   0.100%
          HA    LYS+  99 - QD    PHE   59  15.52 +/- 2.36   0.574% *  0.5934% (0.80   0.02   0.02) =   0.007%
          HA    ASN   35 - QD    PHE   59  17.98 +/- 2.97   0.353% *  0.4794% (0.65   0.02   0.02) =   0.003%
          HA    TRP   87 - QD    PHE   59  19.85 +/- 2.99   0.265% *  0.1143% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.85 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 = 0.985, support = 2.39, residual support = 21.4:
        T HA    ILE  119 - QD    PHE   59   4.16 +/- 0.80  62.881% * 51.2610% (1.00 10.00   2.36  24.16) =  76.440%  kept
        T HA    THR  118 - QD    PHE   59   6.57 +/- 0.84  20.431% * 48.5987% (0.95 10.00   2.50  12.65) =  23.547%  kept
          HA2   GLY  109 - QD    PHE   59  10.28 +/- 1.96  11.398% *  0.0353% (0.69  1.00   0.02   0.02) =   0.010%
          HB2   TRP   49 - QD    PHE   59  15.78 +/- 1.36   1.513% *  0.0504% (0.98  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD    PHE   59  18.40 +/- 1.67   0.937% *  0.0446% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QD    PHE   59  12.84 +/- 2.07   2.839% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 5.17 A violated in 0 structures by 0.09 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 2.71, residual support = 57.8:
      O   HB2   PHE   59 - QD    PHE   59   2.57 +/- 0.19  87.682% * 98.3048% (0.97  10.0   2.71  57.85) =  99.903%  kept
          QB    PHE   55 - QD    PHE   59   7.92 +/- 1.12   5.416% *  1.4754% (0.76   1.0   0.38   0.02) =   0.093%
          HD3   PRO   68 - QD    PHE   59  11.02 +/- 3.03   2.226% *  0.0700% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - QD    PHE   59  10.32 +/- 1.47   1.643% *  0.0659% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   CYS   53 - QD    PHE   59   9.94 +/- 1.03   1.771% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.52 +/- 1.45   1.262% *  0.0382% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.66 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 = 57.9:
      O   HB3   PHE   59 - QD    PHE   59   2.46 +/- 0.14  99.638% * 99.9680% (0.97  10.0   3.15  57.85) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.41 +/- 1.51   0.362% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.878, support = 2.64, residual support = 27.1:
          HB2   PRO   58 - QD    PHE   59   5.89 +/- 1.34  41.822% * 68.8993% (0.99   2.96  39.90) =  67.423%  kept
          HB2   GLN  116 - QD    PHE   59   5.54 +/- 1.29  45.708% * 30.3719% (0.65   2.00   0.50) =  32.483%  kept
          HB3   PHE   97 - QD    PHE   59  10.56 +/- 2.79   9.519% *  0.3766% (0.80   0.02   0.02) =   0.084%
          HB2   GLU- 100 - QD    PHE   59  19.77 +/- 2.50   1.010% *  0.2474% (0.53   0.02   0.02) =   0.006%
          HG3   GLU-  25 - QD    PHE   59  22.26 +/- 4.79   1.941% *  0.1047% (0.22   0.02   0.02) =   0.005%
    Distance limit 4.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.3:
        T QG1   ILE   56 - QD    PHE   59   3.48 +/- 0.57  84.934% * 99.7150% (0.97 10.00   1.97  20.27) =  99.993%  kept
          HB2   LEU   73 - QD    PHE   59  12.59 +/- 3.26   7.981% *  0.0208% (0.20  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - QD    PHE   59  15.67 +/- 2.91   1.397% *  0.1048% (1.00  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD    PHE   59  11.57 +/- 1.73   3.189% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QD    PHE   59  16.46 +/- 1.46   0.963% *  0.0841% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD    PHE   59  14.83 +/- 2.26   1.536% *  0.0394% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 5.04 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 = 0.565, support = 2.41, residual support = 27.5:
          HB3   LEU  115 - QD    PHE   59   2.98 +/- 1.23  40.926% * 61.4878% (0.65   2.37  28.63) =  81.701%  kept
          HG    LEU  115 - QD    PHE   59   3.91 +/- 1.07  23.561% * 18.8878% (0.15   3.05  28.63) =  14.448%  kept
          QB    ALA  120 - QD    PHE   59   6.89 +/- 0.83   7.420% *  8.1366% (0.15   1.31   0.02) =   1.960%  kept
          QB    ALA   61 - QD    PHE   59   5.88 +/- 0.82   7.222% *  6.4745% (0.69   0.23   0.52) =   1.518%  kept
          HG    LEU   40 - QD    PHE   59  10.42 +/- 2.44   7.675% *  0.5192% (0.65   0.02   0.02) =   0.129%  kept
          HB3   LEU   67 - QD    PHE   59  10.00 +/- 2.45   3.092% *  0.6704% (0.84   0.02   0.02) =   0.067%
          HG    LEU   73 - QD    PHE   59  12.44 +/- 3.59   2.076% *  0.8008% (1.00   0.02   0.02) =   0.054%
          QB    ALA  110 - QD    PHE   59   8.24 +/- 1.28   3.711% *  0.3598% (0.45   0.02   0.02) =   0.043%
          QG    LYS+  66 - QD    PHE   59   9.86 +/- 1.33   1.697% *  0.7745% (0.97   0.02   0.02) =   0.043%
          HG    LEU   67 - QD    PHE   59  10.66 +/- 2.10   1.561% *  0.4222% (0.53   0.02   0.02) =   0.021%
          HG12  ILE   19 - QD    PHE   59  14.96 +/- 1.42   0.530% *  0.3012% (0.38   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - QD    PHE   59  19.51 +/- 2.59   0.200% *  0.7745% (0.97   0.02   0.02) =   0.005%
          HG    LEU   80 - QD    PHE   59  18.37 +/- 3.22   0.328% *  0.3907% (0.49   0.02   0.02) =   0.004%
    Distance limit 5.47 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 = 0.452, support = 3.45, residual support = 21.9:
        T HG13  ILE  119 - QD    PHE   59   2.72 +/- 0.54  63.849% * 72.5234% (0.41 10.00   3.78  24.16) =  90.298%  kept
        T QG1   VAL  107 - QD    PHE   59   5.31 +/- 1.93  18.282% * 27.0482% (0.84 10.00   0.37   1.25) =   9.643%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.59 +/- 2.20  16.272% *  0.1729% (0.98  1.00   0.02   0.02) =   0.055%
          QG1   VAL   24 - QD    PHE   59  15.68 +/- 4.06   0.912% *  0.1764% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - QD    PHE   59  16.59 +/- 3.73   0.685% *  0.0791% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.95, support = 0.0978, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.26 +/- 0.95  58.096% * 88.4063% (0.98   0.10   0.02) =  95.285%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.70 +/- 0.92  27.469% *  6.6599% (0.38   0.02   0.02) =   3.394%  kept
          HB3   LEU  104 - QD    PHE   59  13.49 +/- 3.09  14.435% *  4.9338% (0.28   0.02   0.02) =   1.321%  kept
    Distance limit 5.19 A violated in 12 structures by 1.71 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 4.32, residual support = 25.9:
          QD2   LEU  115 - QD    PHE   59   2.58 +/- 1.07  52.209% * 80.2829% (0.98   4.69  28.63) =  90.340%  kept
          QD1   LEU   63 - QD    PHE   59   4.33 +/- 1.88  29.736% * 14.1598% (0.92   0.88   0.23) =   9.075%  kept
          QD2   LEU   63 - QD    PHE   59   5.21 +/- 1.73  14.998% *  1.4160% (0.34   0.24   0.23) =   0.458%  kept
          QD1   LEU   73 - QD    PHE   59  10.97 +/- 3.23   1.620% *  3.4059% (0.92   0.21   0.02) =   0.119%  kept
          QD1   LEU  104 - QD    PHE   59  11.87 +/- 2.83   0.610% *  0.2795% (0.80   0.02   0.02) =   0.004%
          QD2   LEU   80 - QD    PHE   59  15.41 +/- 2.22   0.454% *  0.3369% (0.97   0.02   0.02) =   0.003%
          QG1   VAL   83 - QD    PHE   59  15.12 +/- 2.02   0.374% *  0.1191% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.64 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 = 0.834, support = 4.39, residual support = 28.6:
        T QD1   LEU  115 - QD    PHE   59   3.02 +/- 0.76  80.162% * 99.3411% (0.84 10.00   4.40  28.63) =  99.897%  kept
          QB    ALA   64 - QD    PHE   59   7.01 +/- 1.13  13.217% *  0.5819% (0.15  1.00   0.63   0.02) =   0.096%
          QG1   VAL   75 - QD    PHE   59   9.49 +/- 1.81   6.621% *  0.0769% (0.65  1.00   0.02   0.02) =   0.006%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.729, support = 1.49, residual support = 28.3:
        T HA    LEU  115 - QE    PHE   59   2.86 +/- 0.89  78.516% * 91.1187% (0.73 10.00   1.50  28.63) =  98.871%  kept
          HA    GLU- 114 - QE    PHE   59   6.70 +/- 0.70  10.020% *  7.9629% (1.00  1.00   0.95   0.02) =   1.103%  kept
        T HA    ARG+  54 - QE    PHE   59  10.61 +/- 1.45   3.914% *  0.3311% (0.20 10.00   0.02   0.02) =   0.018%
          HA    ALA   34 - QE    PHE   59  15.81 +/- 2.85   1.373% *  0.1451% (0.87  1.00   0.02   0.02) =   0.003%
          HA    ASN   28 - QE    PHE   59  17.34 +/- 4.75   1.623% *  0.1149% (0.69  1.00   0.02   0.02) =   0.003%
          HA    CYS   53 - QE    PHE   59  10.22 +/- 0.90   3.583% *  0.0293% (0.18  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QE    PHE   59  18.20 +/- 3.09   0.439% *  0.1640% (0.98  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - QE    PHE   59  19.83 +/- 3.95   0.532% *  0.1340% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 4.96 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 = 1.86, residual support = 12.6:
        T HB    THR  118 - QE    PHE   59   3.13 +/- 0.90  95.265% * 99.7448% (0.95 10.00   1.86  12.65) =  99.997%  kept
          HB    THR   39 - QE    PHE   59  14.96 +/- 3.23   1.474% *  0.0509% (0.45  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - QE    PHE   59  17.44 +/- 1.92   0.977% *  0.0689% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QE    PHE   59  17.59 +/- 3.75   0.887% *  0.0689% (0.61  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - QE    PHE   59  19.41 +/- 2.65   0.855% *  0.0467% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.83 +/- 3.37   0.542% *  0.0199% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.779, support = 0.468, residual support = 1.45:
          HB    VAL  107 - QE    PHE   59   5.72 +/- 3.08  42.508% * 52.3411% (0.80   0.52   1.25) =  75.282%  kept
          QE    LYS+ 112 - QE    PHE   59   7.20 +/- 2.20  31.568% * 13.6732% (1.00   0.11   0.02) =  14.605%  kept
          HB3   ASP-  62 - QE    PHE   59   6.65 +/- 1.10  19.031% * 12.4481% (0.14   0.73   6.32) =   8.016%  kept
          HB3   PHE   45 - QE    PHE   59  11.79 +/- 2.19   3.175% * 18.2533% (1.00   0.15   0.02) =   1.961%  kept
          HG2   GLU-  29 - QE    PHE   59  21.09 +/- 4.12   1.466% *  1.5274% (0.61   0.02   0.02) =   0.076%
          QG    GLN   32 - QE    PHE   59  18.41 +/- 3.67   1.516% *  0.6279% (0.25   0.02   0.02) =   0.032%
          HB3   ASP-  86 - QE    PHE   59  19.57 +/- 3.45   0.736% *  1.1290% (0.45   0.02   0.02) =   0.028%
    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 = 0.746, support = 4.03, residual support = 22.4:
          HG12  ILE  119 - QE    PHE   59   2.90 +/- 0.58  77.460% * 66.1267% (0.73   4.25  24.16) =  92.608%  kept
          HB2   ASP-  44 - QE    PHE   59   8.14 +/- 2.99  13.225% * 29.9620% (0.99   1.41   0.10) =   7.164%  kept
          HB3   PHE   72 - QE    PHE   59  10.20 +/- 3.08   5.336% *  2.1782% (1.00   0.10   0.02) =   0.210%  kept
          QG    GLN   90 - QE    PHE   59  17.13 +/- 1.56   0.553% *  0.4204% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  15 - QE    PHE   59  17.04 +/- 2.71   0.538% *  0.4058% (0.95   0.02   0.02) =   0.004%
          QG    GLU-  14 - QE    PHE   59  17.96 +/- 2.24   0.503% *  0.4280% (1.00   0.02   0.02) =   0.004%
          HG3   MET   92 - QE    PHE   59  12.63 +/- 1.63   1.567% *  0.1070% (0.25   0.02   0.02) =   0.003%
          HB2   GLU-  29 - QE    PHE   59  19.76 +/- 3.89   0.570% *  0.1463% (0.34   0.02   0.02) =   0.002%
          QB    MET   11 - QE    PHE   59  23.06 +/- 3.57   0.249% *  0.2257% (0.53   0.02   0.02) =   0.001%
    Distance limit 4.72 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 = 0.682, support = 3.81, residual support = 18.9:
          HG13  ILE  119 - QE    PHE   59   2.99 +/- 0.92  48.922% * 70.0731% (0.73   4.36  24.16) =  77.121%  kept
          QG1   VAL  107 - QE    PHE   59   4.41 +/- 2.77  42.681% * 23.2708% (0.53   2.00   1.25) =  22.344%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.44 +/- 2.27   3.818% *  5.8241% (0.95   0.28   0.02) =   0.500%  kept
          QG1   VAL   24 - QE    PHE   59  15.61 +/- 4.64   3.126% *  0.3837% (0.87   0.02   0.02) =   0.027%
          HB3   LEU   31 - QE    PHE   59  16.09 +/- 4.30   0.914% *  0.3380% (0.76   0.02   0.02) =   0.007%
          QB    ALA   20 - QE    PHE   59  13.85 +/- 2.10   0.539% *  0.1103% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.65 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 = 0.811, support = 2.52, residual support = 24.0:
        T QD2   LEU  115 - QE    PHE   59   3.14 +/- 0.65  44.283% * 77.7822% (0.87 10.00   2.89  28.63) =  83.609%  kept
        T QD1   LEU   63 - QE    PHE   59   4.60 +/- 2.47  37.054% * 16.1720% (0.53 10.00   0.69   0.23) =  14.546%  kept
        T QD1   LEU   73 - QE    PHE   59  10.86 +/- 3.74  14.785% *  4.9864% (0.53 10.00   0.21   0.02) =   1.790%  kept
        T QD1   LEU  104 - QE    PHE   59  10.82 +/- 3.52   2.496% *  0.8947% (1.00 10.00   0.02   0.02) =   0.054%
          QD2   LEU   80 - QE    PHE   59  15.61 +/- 2.63   0.412% *  0.0804% (0.90  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   59  15.31 +/- 2.51   0.461% *  0.0685% (0.76  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  13.40 +/- 2.01   0.511% *  0.0157% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 2.8, residual support = 26.6:
          QD1   LEU  115 - QE    PHE   59   3.66 +/- 0.96  70.240% * 79.7762% (0.45   2.96  28.63) =  92.742%  kept
          QB    ALA   64 - QE    PHE   59   7.60 +/- 1.67  21.917% * 19.8892% (0.45   0.74   0.02) =   7.215%  kept
          QG1   VAL   75 - QE    PHE   59   9.81 +/- 2.43   7.843% *  0.3346% (0.28   0.02   0.02) =   0.043%
    Distance limit 5.14 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 = 4.22, residual support = 12.6:
          QG2   THR  118 - QE    PHE   59   2.82 +/- 1.15 100.000% *100.0000% (0.80   4.22  12.65) = 100.000%  kept
    Distance limit 5.02 A violated in 1 structures by 0.10 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.99, support = 1.11, residual support = 72.4:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  82.399% * 98.8921% (0.99  10.0   1.11  72.53) =  99.838%  kept
          QE    PHE   59 - QE    PHE   60   7.36 +/- 2.25  15.485% *  0.8340% (0.28   1.0   0.33  19.98) =   0.158%  kept
          HN    LYS+  66 - QE    PHE   60   8.85 +/- 1.49   1.763% *  0.1369% (0.76   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - QE    PHE   60  14.92 +/- 2.60   0.353% *  0.1369% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 0.81, support = 0.76, residual support = 2.72:
          HB2   ASP-  44 - QE    PHE   60   3.96 +/- 1.66  52.264% * 27.8103% (0.76   0.75   3.04) =  68.850%  kept
          HB3   PHE   72 - QE    PHE   60   8.44 +/- 2.34   7.390% * 46.1326% (0.87   1.10   3.87) =  16.150%  kept
          HG12  ILE  119 - QE    PHE   60   9.57 +/- 2.09  13.608% * 22.1085% (0.98   0.46   0.02) =  14.251%  kept
          HG3   MET   92 - QE    PHE   60  10.48 +/- 3.05  11.515% *  0.5494% (0.57   0.02   0.02) =   0.300%  kept
          QG    GLU-  15 - QE    PHE   60  16.57 +/- 4.44   8.615% *  0.6278% (0.65   0.02   0.02) =   0.256%  kept
          QG    GLN   90 - QE    PHE   60  12.95 +/- 2.24   2.591% *  0.8958% (0.92   0.02   0.02) =   0.110%  kept
          QG    GLU-  14 - QE    PHE   60  17.04 +/- 3.62   0.974% *  0.7770% (0.80   0.02   0.02) =   0.036%
          HB2   GLU-  29 - QE    PHE   60  17.42 +/- 2.82   0.785% *  0.6666% (0.69   0.02   0.02) =   0.025%
          HB2   ASP- 105 - QE    PHE   60  13.20 +/- 2.00   1.875% *  0.2160% (0.22   0.02   0.02) =   0.019%
          QB    MET   11 - QE    PHE   60  22.15 +/- 3.90   0.383% *  0.2160% (0.22   0.02   0.02) =   0.004%
    Distance limit 5.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.967, support = 1.33, residual support = 3.41:
          HB    VAL   42 - QE    PHE   60   7.45 +/- 2.15  12.714% * 58.6164% (1.00  1.00   1.80   4.82) =  57.422%  kept
          HB3   LEU   73 - QE    PHE   60   8.48 +/- 3.64  15.378% * 27.4759% (0.98  1.00   0.86   1.96) =  32.555%  kept
          HG3   LYS+  65 - QE    PHE   60   8.98 +/- 2.71  12.728% *  6.5432% (1.00  1.00   0.20   0.02) =   6.417%  kept
          HB3   LYS+  74 - QE    PHE   60   8.08 +/- 3.48  14.719% *  2.0480% (0.25  1.00   0.25   0.02) =   2.323%  kept
          HB2   LYS+ 112 - QE    PHE   60  10.66 +/- 3.37   9.981% *  0.6028% (0.92  1.00   0.02   0.02) =   0.464%  kept
          HB3   PRO   93 - QE    PHE   60   6.19 +/- 2.62  20.610% *  0.1816% (0.28  1.00   0.02   0.02) =   0.288%  kept
        T QB    ALA   84 - QE    PHE   60  12.20 +/- 2.35   1.749% *  1.6283% (0.25 10.00   0.02   0.02) =   0.219%  kept
          HG3   LYS+ 106 - QE    PHE   60  13.00 +/- 2.35   2.012% *  0.5454% (0.84  1.00   0.02   0.02) =   0.085%
          QB    LEU   98 - QE    PHE   60  12.15 +/- 2.12   2.570% *  0.3179% (0.49  1.00   0.02   0.02) =   0.063%
          HG3   LYS+  33 - QE    PHE   60  16.44 +/- 2.70   0.978% *  0.6516% (1.00  1.00   0.02   0.02) =   0.049%
          HD3   LYS+ 121 - QE    PHE   60  14.70 +/- 2.23   3.602% *  0.1454% (0.22  1.00   0.02   0.02) =   0.040%
          QB    ALA   12 - QE    PHE   60  18.97 +/- 3.12   0.906% *  0.4991% (0.76  1.00   0.02   0.02) =   0.035%
          HG3   LYS+ 102 - QE    PHE   60  19.59 +/- 2.35   0.554% *  0.6302% (0.97  1.00   0.02   0.02) =   0.027%
          HG    LEU   98 - QE    PHE   60  13.50 +/- 1.96   1.498% *  0.1144% (0.18  1.00   0.02   0.02) =   0.013%
    Distance limit 5.43 A violated in 1 structures by 0.17 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.214, support = 1.27, residual support = 3.99:
        T QD1   ILE   56 - QE    PHE   60   5.13 +/- 2.34  74.491% * 91.7295% (0.20 10.00   1.29   4.08) =  97.692%  kept
          QD2   LEU  123 - QE    PHE   60  11.67 +/- 2.58  20.492% *  7.7488% (0.92  1.00   0.23   0.02) =   2.270%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.40 +/- 2.47   5.017% *  0.5216% (0.73  1.00   0.02   0.02) =   0.037%
    Distance limit 5.50 A violated in 4 structures by 0.67 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.649, support = 1.52, residual support = 3.41:
          QB    ALA   64 - QE    PHE   60   4.66 +/- 2.15  43.480% * 59.8892% (0.84   1.24   2.57) =  62.223%  kept
          QG1   VAL   42 - QE    PHE   60   4.90 +/- 1.86  39.710% * 39.5905% (0.34   2.00   4.82) =  37.568%  kept
          QB    ALA   47 - QE    PHE   60   7.90 +/- 1.96  16.810% *  0.5204% (0.45   0.02   0.02) =   0.209%  kept
    Distance limit 5.20 A violated in 0 structures by 0.10 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.833, support = 2.03, residual support = 3.07:
          HB2   ASP-  44 - QD    PHE   60   3.61 +/- 1.54  55.197% * 42.7753% (0.87   1.98   3.04) =  79.442%  kept
          HB3   PHE   72 - QD    PHE   60   7.98 +/- 1.97  10.462% * 48.4971% (0.76   2.54   3.87) =  17.071%  kept
          HG12  ILE  119 - QD    PHE   60   7.99 +/- 1.69  13.995% *  6.8742% (0.34   0.81   0.02) =   3.237%  kept
          QG    GLU-  15 - QD    PHE   60  16.29 +/- 4.11  12.713% *  0.4719% (0.95   0.02   0.02) =   0.202%  kept
          QG    GLN   90 - QD    PHE   60  13.56 +/- 1.76   1.244% *  0.3427% (0.69   0.02   0.02) =   0.014%
          HG2   MET   92 - QD    PHE   60  10.39 +/- 2.75   4.689% *  0.0874% (0.18   0.02   0.02) =   0.014%
          QG    GLU-  14 - QD    PHE   60  16.83 +/- 3.28   0.927% *  0.4167% (0.84   0.02   0.02) =   0.013%
          QB    MET   11 - QD    PHE   60  22.08 +/- 3.78   0.340% *  0.4474% (0.90   0.02   0.02) =   0.005%
          HG3   GLU-  36 - QD    PHE   60  19.60 +/- 2.46   0.432% *  0.0874% (0.18   0.02   0.02) =   0.001%
    Distance limit 5.48 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 = 3.28, residual support = 90.3:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.516% * 99.8968% (0.87  10.0   3.28  90.35) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  10.97 +/- 1.23   0.969% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  13.29 +/- 1.50   0.515% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.683, support = 2.24, residual support = 3.27:
          QD    PHE   60 - QD    PHE   72   5.92 +/- 1.49  40.759% * 77.2482% (0.76   2.47   3.87) =  83.924%  kept
          HE3   TRP   27 - QD    PHE   72   6.95 +/- 1.32  29.180% * 11.6114% (0.25   1.14   0.02) =   9.031%  kept
          HN    LYS+  66 - QD    PHE   72   6.82 +/- 1.01  25.791% * 10.1671% (0.28   0.89   0.23) =   6.989%  kept
          HN    LYS+  81 - QD    PHE   72  15.86 +/- 1.89   2.157% *  0.8113% (0.99   0.02   0.02) =   0.047%
          QD    PHE   55 - QD    PHE   72  15.23 +/- 0.86   2.114% *  0.1620% (0.20   0.02   0.02) =   0.009%
    Distance limit 4.65 A violated in 1 structures by 0.50 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.543, support = 1.34, residual support = 10.5:
          HN    LEU   63 - QD    PHE   72   6.89 +/- 0.87  33.248% * 51.2644% (0.80   0.81  16.55) =  53.464%  kept
          QE    PHE   60 - QD    PHE   72   6.22 +/- 1.86  44.343% * 30.0468% (0.18   2.16   3.87) =  41.792%  kept
          HD21  ASN   28 - QD    PHE   72  11.80 +/- 1.38   9.035% * 15.4619% (0.90   0.22   0.02) =   4.382%  kept
          HZ2   TRP   87 - QD    PHE   72  17.87 +/- 5.20   3.995% *  1.1541% (0.73   0.02   0.02) =   0.145%  kept
          HN    ILE   56 - QD    PHE   72  13.75 +/- 1.07   3.881% *  1.0917% (0.69   0.02   0.02) =   0.133%  kept
          HN    LYS+ 111 - QD    PHE   72  16.51 +/- 2.72   2.815% *  0.4905% (0.31   0.02   0.02) =   0.043%
          HN    ALA   84 - QD    PHE   72  16.38 +/- 2.25   2.683% *  0.4905% (0.31   0.02   0.02) =   0.041%
    Distance limit 5.37 A violated in 2 structures by 0.43 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.61, residual support = 90.3:
          HN    PHE   72 - QD    PHE   72   2.49 +/- 0.48  98.584% * 99.8233% (0.98   5.61  90.35) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  12.29 +/- 3.23   1.416% *  0.1767% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.82 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 = 2.07, residual support = 90.3:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  51.013% * 52.6465% (0.76  10.0 10.00   1.05  90.35) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.853% * 47.3200% (0.69  10.0 10.00   3.28  90.35) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   8.52 +/- 1.60   1.135% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.661, support = 1.0, residual support = 3.1:
          QD    PHE   60 - QE    PHE   72   4.95 +/- 1.58  47.064% * 67.4266% (0.76   1.07   3.87) =  78.924%  kept
          HN    LYS+  66 - QE    PHE   72   5.27 +/- 0.93  39.908% * 18.1732% (0.28   0.79   0.23) =  18.038%  kept
          HE3   TRP   27 - QE    PHE   72   8.72 +/- 1.03   9.550% * 12.4322% (0.25   0.60   0.02) =   2.953%  kept
          HN    LYS+  81 - QE    PHE   72  15.46 +/- 1.68   1.728% *  1.6405% (0.99   0.02   0.02) =   0.071%
          QD    PHE   55 - QE    PHE   72  14.30 +/- 1.15   1.750% *  0.3276% (0.20   0.02   0.02) =   0.014%
    Distance limit 4.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.05, residual support = 90.3:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.181% * 99.8331% (1.00  10.0   1.05  90.35) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  13.80 +/- 2.31   0.493% *  0.1080% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  15.20 +/- 1.39   0.326% *  0.0589% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 90.3:
          HA    PHE   72 - QD    PHE   72   3.63 +/- 0.20  94.409% * 99.8363% (0.90   4.64  90.35) =  99.990%  kept
          HA    MET   96 - QD    PHE   72  10.21 +/- 2.23   5.591% *  0.1637% (0.34   0.02   0.02) =   0.010%
    Distance limit 5.36 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 = 0.551, support = 0.02, residual support = 0.02:
          HA    THR   23 - QD    PHE   72  12.88 +/- 1.38  17.656% * 28.8048% (0.65   0.02   0.02) =  30.168%  kept
          HA    ASP-  78 - QD    PHE   72  14.47 +/- 0.64  11.628% * 41.1037% (0.92   0.02   0.02) =  28.353%  kept
          HA    PHE   45 - QD    PHE   72   9.19 +/- 1.93  44.813% *  9.9133% (0.22   0.02   0.02) =  26.353%  kept
          HA    LEU   80 - QD    PHE   72  14.83 +/- 1.78  11.568% * 12.3802% (0.28   0.02   0.02) =   8.496%  kept
          HB    THR   23 - QD    PHE   72  13.91 +/- 1.41  14.335% *  7.7981% (0.18   0.02   0.02) =   6.631%  kept
    Distance limit 5.32 A violated in 20 structures by 3.04 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.67, support = 3.97, residual support = 62.7:
        T HA    ALA   64 - QD    PHE   72   3.84 +/- 0.93  27.712% * 82.1304% (0.92   1.0 10.00   3.63  47.83) =  65.046%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.38 +/- 0.13  69.439% * 17.6072% (0.20  10.0 10.00   4.59  90.35) =  34.942%  kept
          QE    LYS+  66 - QD    PHE   72   9.78 +/- 1.74   1.615% *  0.2156% (0.25   1.0  1.00   0.19   0.23) =   0.010%
          HB3   ASN   35 - QD    PHE   72  12.01 +/- 2.50   1.234% *  0.0468% (0.53   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.13 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 = 4.87, residual support = 90.3:
      O T HB3   PHE   72 - QD    PHE   72   2.51 +/- 0.14  81.473% * 99.4111% (0.98  10.0 10.00   4.87  90.35) =  99.980%  kept
          HB2   ASP-  44 - QD    PHE   72   5.93 +/- 1.34   9.468% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.011%
          HG12  ILE  119 - QD    PHE   72  10.89 +/- 3.07   3.025% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - QD    PHE   72  12.15 +/- 3.20   1.932% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72  11.59 +/- 3.84   1.995% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QD    PHE   72  12.70 +/- 1.07   0.705% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  16.89 +/- 1.96   0.301% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  15.36 +/- 2.51   0.783% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  17.81 +/- 2.24   0.317% *  0.0381% (0.38   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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.763, support = 1.81, residual support = 12.8:
        T HB    VAL   42 - QD    PHE   72   4.29 +/- 1.96  38.910% * 54.4973% (0.80 10.00   0.82   4.35) =  68.797%  kept
          HB3   LEU   73 - QD    PHE   72   4.94 +/- 0.72  23.793% * 28.2317% (0.73  1.00   4.66  44.40) =  21.793%  kept
          HB3   LYS+  74 - QD    PHE   72   5.52 +/- 1.55  23.104% * 11.9818% (0.57  1.00   2.54   1.49) =   8.981%  kept
          HG3   LYS+  65 - QD    PHE   72   8.68 +/- 0.97   3.232% *  3.4822% (0.80  1.00   0.52   0.02) =   0.365%  kept
        T HB2   LYS+ 112 - QD    PHE   72  16.05 +/- 2.62   0.743% *  1.0116% (0.61 10.00   0.02   0.02) =   0.024%
          QB    LEU   98 - QD    PHE   72   9.57 +/- 3.23   2.874% *  0.1393% (0.84  1.00   0.02   0.02) =   0.013%
          HG3   LYS+  33 - QD    PHE   72  10.37 +/- 1.05   1.798% *  0.1447% (0.87  1.00   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - QD    PHE   72  13.56 +/- 3.39   2.236% *  0.0877% (0.53  1.00   0.02   0.02) =   0.006%
          QB    ALA   12 - QD    PHE   72  14.79 +/- 2.07   0.910% *  0.1653% (0.99  1.00   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - QD    PHE   72  13.35 +/- 3.06   0.917% *  0.0812% (0.49  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - QD    PHE   72  13.63 +/- 2.61   1.026% *  0.0626% (0.38  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QD    PHE   72  16.89 +/- 3.70   0.457% *  0.1146% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 4.80 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 = 0.484, support = 1.53, residual support = 22.8:
        T QD1   LEU   67 - QD    PHE   72   3.71 +/- 1.04  39.327% * 74.4885% (0.41 10.00   1.50  26.27) =  86.025%  kept
          HB    VAL   75 - QD    PHE   72   5.09 +/- 0.86  20.805% * 21.1701% (0.98  1.00   1.79   1.69) =  12.934%  kept
          HG3   LYS+  74 - QD    PHE   72   6.84 +/- 1.17   7.915% *  2.7900% (0.22  1.00   1.04   1.49) =   0.649%  kept
        T QD1   ILE  119 - QD    PHE   72   9.24 +/- 2.66   8.696% *  1.2710% (0.53 10.00   0.02   0.02) =   0.325%  kept
          QD2   LEU   40 - QD    PHE   72   5.42 +/- 1.08  18.975% *  0.1083% (0.45  1.00   0.02   0.02) =   0.060%
          QG2   ILE  103 - QD    PHE   72  11.16 +/- 2.17   1.756% *  0.0746% (0.31  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - QD    PHE   72  12.20 +/- 3.48   1.509% *  0.0602% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  12.67 +/- 1.70   1.017% *  0.0373% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 5.33 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 = 0.936, support = 6.53, residual support = 43.8:
          QD2   LEU   73 - QD    PHE   72   3.17 +/- 0.95  55.934% * 95.6872% (0.95   6.60  44.40) =  98.724%  kept
          QG1   VAL   43 - QD    PHE   72   5.74 +/- 1.58  18.848% *  2.5501% (0.15   1.08   0.02) =   0.887%  kept
          QG1   VAL   41 - QD    PHE   72   6.05 +/- 1.78  18.664% *  1.0416% (0.28   0.24   0.02) =   0.359%  kept
          QD1   ILE   56 - QD    PHE   72  10.23 +/- 1.04   2.448% *  0.3038% (0.99   0.02   0.02) =   0.014%
          HG    LEU   31 - QD    PHE   72   9.27 +/- 1.81   2.820% *  0.2560% (0.84   0.02   0.02) =   0.013%
          HG3   LYS+ 121 - QD    PHE   72  13.87 +/- 3.06   1.286% *  0.1613% (0.53   0.02   0.02) =   0.004%
    Distance limit 5.36 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 = 5.93, residual support = 47.8:
        T QB    ALA   64 - QD    PHE   72   3.26 +/- 0.92  84.168% * 99.9781% (0.80 10.00   5.93  47.83) =  99.996%  kept
          QD1   LEU  115 - QD    PHE   72  10.36 +/- 2.34  15.832% *  0.0219% (0.18  1.00   0.02   0.02) =   0.004%
    Distance limit 4.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.83, residual support = 48.9:
        T QG2   VAL   70 - QD    PHE   72   1.95 +/- 0.29 100.000% *100.0000% (0.65 10.00   3.83  48.95) = 100.000%  kept
    Distance limit 5.08 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 = 0.38, support = 4.05, residual support = 47.3:
        T HA    ALA   64 - QE    PHE   72   2.69 +/- 0.55  88.043% * 90.6632% (0.38 10.00   4.09  47.83) =  98.835%  kept
          QE    LYS+  66 - QE    PHE   72   8.43 +/- 1.68  10.298% *  9.0973% (0.80  1.00   0.94   0.23) =   1.160%  kept
          HB3   ASN   35 - QE    PHE   72  13.59 +/- 2.83   1.659% *  0.2394% (0.99  1.00   0.02   0.02) =   0.005%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 48.9:
        T HB    VAL   70 - QE    PHE   72   2.50 +/- 0.75  75.512% * 98.7668% (0.99 10.00   4.45  48.95) =  99.866%  kept
        T QG    GLN   17 - QE    PHE   72   9.25 +/- 3.99   9.503% *  0.9617% (0.97 10.00   0.02   0.02) =   0.122%  kept
          HB2   MET   96 - QE    PHE   72   9.39 +/- 2.30   8.580% *  0.0832% (0.84  1.00   0.02   0.02) =   0.010%
          HB3   ASP-  76 - QE    PHE   72   9.41 +/- 1.08   2.269% *  0.0308% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  16.51 +/- 1.15   0.449% *  0.0894% (0.90  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   72  15.86 +/- 4.16   0.773% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.05 +/- 2.20   1.651% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  13.21 +/- 2.91   1.264% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.461, support = 2.99, residual support = 25.1:
        T HB2   LEU   67 - QE    PHE   72   3.13 +/- 0.76  50.125% * 79.7338% (0.45 10.00   3.07  26.27) =  95.431%  kept
          HB    ILE   19 - QE    PHE   72   8.70 +/- 3.35  12.285% *  9.0461% (0.73  1.00   1.40   1.02) =   2.654%  kept
          HG2   PRO   68 - QE    PHE   72   8.02 +/- 1.15   6.933% * 10.3048% (0.80  1.00   1.45   0.12) =   1.706%  kept
          HB    VAL   18 - QE    PHE   72   7.73 +/- 6.47  21.329% *  0.3803% (0.22  1.00   0.19   1.42) =   0.194%  kept
          HB2   LEU  115 - QE    PHE   72  11.71 +/- 2.15   1.267% *  0.1485% (0.84  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - QE    PHE   72  12.73 +/- 1.19   0.982% *  0.1543% (0.87  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QE    PHE   72  13.41 +/- 2.13   0.851% *  0.1150% (0.65  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - QE    PHE   72  11.71 +/- 3.44   2.959% *  0.0311% (0.18  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QE    PHE   72  10.40 +/- 4.34   2.841% *  0.0311% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QE    PHE   72  16.72 +/- 1.20   0.427% *  0.0549% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.36 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 = 0.583, support = 2.34, residual support = 14.9:
          HB3   LEU   67 - QE    PHE   72   3.20 +/- 1.06  46.567% * 26.6870% (0.38   3.03  26.27) =  54.701%  kept
          HB3   LYS+  74 - QE    PHE   72   5.67 +/- 1.65  18.009% * 34.1582% (0.90   1.62   1.49) =  27.077%  kept
          HG12  ILE   19 - QE    PHE   72   9.02 +/- 4.01  12.206% * 28.1488% (0.84   1.44   1.02) =  15.123%  kept
          QG    LYS+  66 - QE    PHE   72   7.25 +/- 1.23   7.797% *  6.5339% (0.22   1.25   0.23) =   2.242%  kept
          QB    ALA   61 - QE    PHE   72   6.43 +/- 0.75   6.926% *  2.3948% (0.53   0.19   0.02) =   0.730%  kept
          QB    LEU   98 - QE    PHE   72  10.33 +/- 3.26   3.107% *  0.3036% (0.65   0.02   0.02) =   0.042%
          HG    LEU   80 - QE    PHE   72  13.74 +/- 3.02   1.860% *  0.3407% (0.73   0.02   0.02) =   0.028%
          HB2   LEU   80 - QE    PHE   72  13.38 +/- 2.29   1.246% *  0.4651% (0.99   0.02   0.02) =   0.026%
          HD3   LYS+ 121 - QE    PHE   72  13.79 +/- 3.09   0.833% *  0.4332% (0.92   0.02   0.02) =   0.016%
          QB    ALA  110 - QE    PHE   72  13.71 +/- 2.17   0.548% *  0.3586% (0.76   0.02   0.02) =   0.009%
          QB    ALA   12 - QE    PHE   72  15.34 +/- 2.29   0.900% *  0.1761% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.52 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 = 0.446, support = 3.71, residual support = 24.6:
        T QD1   LEU   67 - QE    PHE   72   2.57 +/- 0.76  50.039% * 83.3382% (0.41 10.00   3.88  26.27) =  93.273%  kept
          HB    VAL   75 - QE    PHE   72   4.49 +/- 1.18  19.630% * 14.0333% (0.98  1.00   1.41   1.69) =   6.162%  kept
          HG3   LYS+  74 - QE    PHE   72   6.36 +/- 1.69   9.770% *  1.3267% (0.22  1.00   0.59   1.49) =   0.290%  kept
        T QD1   ILE  119 - QE    PHE   72   8.57 +/- 2.81  10.820% *  1.0665% (0.53 10.00   0.02   0.02) =   0.258%  kept
          QD2   LEU   40 - QE    PHE   72   6.08 +/- 1.27   7.566% *  0.0909% (0.45  1.00   0.02   0.02) =   0.015%
          QG2   ILE  103 - QE    PHE   72  11.54 +/- 2.33   0.824% *  0.0626% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QE    PHE   72  12.66 +/- 3.52   0.790% *  0.0505% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.41 +/- 1.80   0.559% *  0.0313% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.572, support = 4.28, residual support = 23.4:
          HB3   LEU   63 - QE    PHE   72   4.09 +/- 1.62  26.608% * 74.3272% (0.73   4.37  16.55) =  71.303%  kept
          QG1   VAL   70 - QE    PHE   72   3.09 +/- 0.70  33.454% * 19.4551% (0.18   4.74  48.95) =  23.466%  kept
          QG1   VAL   18 - QE    PHE   72   5.93 +/- 5.49  25.476% *  5.6085% (0.25   0.96   1.42) =   5.152%  kept
          QD1   LEU   40 - QE    PHE   72   5.06 +/- 1.14  14.045% *  0.1446% (0.31   0.02   0.02) =   0.073%
          QG1   VAL  108 - QE    PHE   72  13.57 +/- 1.56   0.417% *  0.4645% (0.99   0.02   0.02) =   0.007%
    Distance limit 4.51 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 = 0.87, support = 3.57, residual support = 21.6:
          QD1   LEU   63 - QE    PHE   72   4.49 +/- 1.04  27.166% * 41.8216% (0.98   3.95  16.55) =  44.713%  kept
          QD2   LEU   63 - QE    PHE   72   3.98 +/- 1.20  37.392% * 25.2003% (0.69   3.39  16.55) =  37.085%  kept
          QD1   LEU   73 - QE    PHE   72   6.67 +/- 0.98  14.174% * 32.3646% (0.98   3.05  44.40) =  18.054%  kept
          QG2   VAL   41 - QE    PHE   72   6.87 +/- 1.51  11.490% *  0.2110% (0.18   0.11   0.02) =   0.095%
          QD2   LEU   80 - QE    PHE   72  11.30 +/- 2.14   4.154% *  0.1485% (0.69   0.02   0.02) =   0.024%
          QD2   LEU  115 - QE    PHE   72  10.01 +/- 1.72   3.343% *  0.1570% (0.73   0.02   0.02) =   0.021%
          QD1   LEU  104 - QE    PHE   72  11.32 +/- 3.34   2.281% *  0.0970% (0.45   0.02   0.02) =   0.009%
    Distance limit 4.97 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 = 5.11, residual support = 47.3:
          QB    ALA   64 - QE    PHE   72   2.69 +/- 0.67  64.633% * 97.4443% (0.69   5.17  47.83) =  98.876%  kept
          QG1   VAL   42 - QE    PHE   72   4.24 +/- 1.71  33.658% *  2.1138% (0.49   0.16   4.35) =   1.117%  kept
          QB    ALA   47 - QE    PHE   72  11.50 +/- 1.68   1.079% *  0.3331% (0.61   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - QE    PHE   72  15.21 +/- 2.44   0.630% *  0.1087% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.32, residual support = 48.9:
        T QG2   VAL   70 - QE    PHE   72   2.63 +/- 0.52 100.000% *100.0000% (0.90 10.00   5.32  48.95) = 100.000%  kept
    Distance limit 4.48 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 = 3.33, residual support = 47.6:
        T HA    ALA   64 - HZ    PHE   72   2.97 +/- 0.72  83.219% * 96.8430% (0.65 10.00   3.35  47.83) =  99.416%  kept
          QE    LYS+  66 - HZ    PHE   72   9.13 +/- 1.76  15.551% *  3.0319% (0.53  1.00   0.77   0.23) =   0.582%  kept
          HB3   ASN   35 - HZ    PHE   72  16.28 +/- 3.15   1.230% *  0.1250% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 5.35 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 = 3.26, residual support = 48.4:
        T HB    VAL   70 - HZ    PHE   72   4.59 +/- 0.69  65.030% * 94.8237% (0.92 10.00   3.30  48.95) =  98.841%  kept
        T QG    GLN   17 - HZ    PHE   72  10.89 +/- 4.65  14.180% *  4.4790% (0.97 10.00   0.09   0.02) =   1.018%  kept
        T HB2   MET   96 - HZ    PHE   72  11.02 +/- 2.78  15.904% *  0.5404% (0.53 10.00   0.02   0.02) =   0.138%  kept
          HB2   GLU-  25 - HZ    PHE   72  19.57 +/- 1.43   0.936% *  0.1025% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  15.58 +/- 2.71   2.390% *  0.0386% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  18.53 +/- 4.64   1.560% *  0.0158% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.461, support = 2.93, residual support = 24.8:
        T HB2   LEU   67 - HZ    PHE   72   4.37 +/- 1.17  40.927% * 82.2428% (0.45 10.00   3.04  26.27) =  94.174%  kept
          HB    ILE   19 - HZ    PHE   72  10.70 +/- 3.91  11.660% * 10.2027% (0.73  1.00   1.53   1.02) =   3.328%  kept
          HG2   PRO   68 - HZ    PHE   72   9.38 +/- 1.76   9.828% *  5.6545% (0.80  1.00   0.77   0.12) =   1.555%  kept
          HB    VAL   18 - HZ    PHE   72   9.10 +/- 7.57  26.159% *  1.2351% (0.22  1.00   0.60   1.42) =   0.904%  kept
          HB2   GLN   17 - HZ    PHE   72  12.33 +/- 5.07   3.265% *  0.1452% (0.18  1.00   0.09   0.02) =   0.013%
          HB2   LEU  115 - HZ    PHE   72  12.89 +/- 2.70   2.570% *  0.1532% (0.84  1.00   0.02   0.02) =   0.011%
          HG3   PRO   58 - HZ    PHE   72  13.87 +/- 1.91   1.774% *  0.1591% (0.87  1.00   0.02   0.02) =   0.008%
          QB    GLU- 114 - HZ    PHE   72  14.89 +/- 2.61   1.372% *  0.1187% (0.65  1.00   0.02   0.02) =   0.005%
          QB    GLU-  15 - HZ    PHE   72  13.94 +/- 3.86   1.962% *  0.0321% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HZ    PHE   72  19.81 +/- 1.45   0.484% *  0.0566% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 5.03 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 = 0.571, support = 2.33, residual support = 15.6:
          HB3   LEU   67 - HZ    PHE   72   4.31 +/- 0.89  42.546% * 27.0330% (0.38   2.94  26.27) =  57.464%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.54 +/- 1.72  13.344% * 34.3158% (0.90   1.56   1.49) =  22.878%  kept
          HG12  ILE   19 - HZ    PHE   72  11.09 +/- 4.53  10.888% * 32.0258% (0.84   1.57   1.02) =  17.421%  kept
          QG    LYS+  66 - HZ    PHE   72   7.80 +/- 1.21   8.892% *  4.1988% (0.22   0.77   0.23) =   1.865%  kept
          QB    ALA   61 - HZ    PHE   72   6.98 +/- 1.07  11.548% *  0.2578% (0.53   0.02   0.02) =   0.149%  kept
          QB    LEU   98 - HZ    PHE   72  12.12 +/- 3.77   6.262% *  0.3169% (0.65   0.02   0.02) =   0.099%
          HG    LEU   80 - HZ    PHE   72  16.00 +/- 3.36   1.983% *  0.3558% (0.73   0.02   0.02) =   0.035%
          HB2   LEU   80 - HZ    PHE   72  15.59 +/- 2.52   1.265% *  0.4856% (0.99   0.02   0.02) =   0.031%
          HD3   LYS+ 121 - HZ    PHE   72  15.84 +/- 3.42   1.351% *  0.4523% (0.92   0.02   0.02) =   0.031%
          QB    ALA  110 - HZ    PHE   72  15.19 +/- 2.55   1.086% *  0.3744% (0.76   0.02   0.02) =   0.020%
          QB    ALA   12 - HZ    PHE   72  17.72 +/- 2.75   0.835% *  0.1839% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.90 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 = 0.573, support = 2.87, residual support = 19.1:
        T QD1   LEU   67 - HZ    PHE   72   3.19 +/- 0.91  51.814% * 38.2116% (0.41 10.00   3.50  26.27) =  70.967%  kept
        T HB    VAL   75 - HZ    PHE   72   6.35 +/- 1.32  13.146% * 60.6119% (0.98 10.00   1.33   1.69) =  28.560%  kept
          HG3   LYS+  74 - HZ    PHE   72   7.88 +/- 2.11  11.526% *  0.5795% (0.22  1.00   0.56   1.49) =   0.239%  kept
        T QD1   ILE  119 - HZ    PHE   72   9.59 +/- 3.18  12.561% *  0.4890% (0.53 10.00   0.02   0.02) =   0.220%  kept
          QD2   LEU   40 - HZ    PHE   72   7.56 +/- 1.61   7.640% *  0.0417% (0.45  1.00   0.02   0.02) =   0.011%
          QG2   ILE  103 - HZ    PHE   72  13.23 +/- 2.87   1.204% *  0.0287% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  14.58 +/- 4.09   1.265% *  0.0232% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  13.97 +/- 2.22   0.844% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.808, support = 3.1, residual support = 24.0:
        T HB3   LEU   63 - HZ    PHE   72   4.59 +/- 2.12  37.239% * 69.0843% (0.95 10.00   3.24  16.55) =  75.747%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.67 +/- 0.86  28.838% * 27.4093% (0.38 10.00   2.73  48.95) =  23.273%  kept
          QG1   VAL   18 - HZ    PHE   72   7.25 +/- 6.30  27.224% *  0.9407% (0.49  1.00   0.53   1.42) =   0.754%  kept
          QD1   LEU   71 - HZ    PHE   72   9.21 +/- 0.64   3.047% *  2.4903% (0.20  1.00   3.45  19.74) =   0.223%  kept
          QG1   VAL  108 - HZ    PHE   72  15.23 +/- 2.04   0.770% *  0.0610% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HZ    PHE   72  11.59 +/- 3.33   2.883% *  0.0145% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 0.88, support = 2.6, residual support = 21.9:
          QD1   LEU   63 - HZ    PHE   72   5.08 +/- 1.47  28.820% * 40.5084% (0.98   2.85  16.55) =  46.952%  kept
          QD2   LEU   63 - HZ    PHE   72   4.56 +/- 1.41  36.472% * 22.7595% (0.69   2.29  16.55) =  33.384%  kept
          QD1   LEU   73 - HZ    PHE   72   8.48 +/- 1.16  13.483% * 35.9104% (0.98   2.53  44.40) =  19.472%  kept
          QG2   VAL   41 - HZ    PHE   72   8.39 +/- 1.82   8.301% *  0.2826% (0.18   0.11   0.02) =   0.094%
          QD2   LEU   80 - HZ    PHE   72  13.15 +/- 2.46   5.779% *  0.1989% (0.69   0.02   0.02) =   0.046%
          QD2   LEU  115 - HZ    PHE   72  11.02 +/- 2.14   4.013% *  0.2103% (0.73   0.02   0.02) =   0.034%
          QD1   LEU  104 - HZ    PHE   72  13.09 +/- 3.90   3.133% *  0.1298% (0.45   0.02   0.02) =   0.016%
    Distance limit 5.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.64, residual support = 48.9:
        T QG2   VAL   70 - HZ    PHE   72   4.27 +/- 0.51 100.000% *100.0000% (0.90 10.00   4.64  48.95) = 100.000%  kept
    Distance limit 5.34 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  74.40) = 100.000%  kept
    Distance limit 4.10 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  99.597% * 99.9913% (0.98  10.0   1.00  74.40) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  19.48 +/- 2.75   0.403% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 5.05 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 = 1.01, residual support = 74.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  97.194% * 99.8601% (0.98  10.0 10.00   1.01  74.40) =  99.998%  kept
          QD    PHE   97 - HE3   TRP   87  16.94 +/- 6.74   2.043% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HE3   TRP   87  18.26 +/- 4.87   0.763% *  0.0382% (0.38   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 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  97.775% * 99.5607% (0.99  10.0   1.00  74.40) =  99.997%  kept
          HD21  ASN   28 - HH2   TRP   87  22.00 +/- 8.92   1.111% *  0.1969% (0.98   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HH2   TRP   87  17.56 +/- 4.88   0.694% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - HH2   TRP   87  21.66 +/- 3.73   0.240% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  23.45 +/- 5.03   0.180% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  90.528% * 99.7330% (0.90  10.0   1.00  74.40) =  99.999%  kept
          HN    PHE   59 - HN    ILE   56   5.70 +/- 0.53   8.499% *  0.0027% (0.01   1.0   0.02  20.27) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  27.36 +/- 5.66   0.111% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  22.55 +/- 3.64   0.154% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  15.46 +/- 1.77   0.487% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.66 +/- 3.73   0.223% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.782, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HZ2   TRP   87  18.03 +/- 9.23  28.679% * 81.3674% (0.87   0.02   0.02) =  88.663%  kept
          HZ    PHE   72 - HZ2   TRP   87  20.32 +/- 5.13  14.088% * 14.4733% (0.15   0.02   0.02) =   7.747%  kept
          HZ2   TRP   27 - HN    ILE   56  20.05 +/- 3.70  20.165% *  3.5312% (0.04   0.02   0.02) =   2.706%  kept
          HZ    PHE   72 - HN    ILE   56  13.85 +/- 1.47  37.068% *  0.6281% (0.01   0.02   0.02) =   0.885%  kept
    Distance limit 4.77 A violated in 16 structures by 6.29 A, eliminated.
    Peak unassigned.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 0.02, residual support = 0.02:
          HD1   TRP   49 - HZ3   TRP   87  17.25 +/- 4.58  25.366% * 22.0041% (0.99   0.02   0.02) =  40.117%  kept
          QE    PHE   95 - HZ3   TRP   87  16.39 +/- 4.12  27.054% * 10.8062% (0.49   0.02   0.02) =  21.012%  kept
          HN    LEU   67 - HZ3   TRP   87  26.42 +/- 5.78   6.609% * 19.9101% (0.90   0.02   0.02) =   9.458%  kept
          HD2   HIS   22 - HZ3   TRP   87  27.38 +/- 6.81   6.369% * 20.4937% (0.92   0.02   0.02) =   9.381%  kept
          HN    THR   23 - HZ3   TRP   87  24.96 +/- 7.61  10.875% * 11.6802% (0.53   0.02   0.02) =   9.129%  kept
          HD21  ASN   35 - HZ3   TRP   87  28.24 +/- 8.76   8.529% * 11.6802% (0.53   0.02   0.02) =   7.160%  kept
          QD    PHE   55 - HZ3   TRP   87  20.59 +/- 3.65  15.198% *  3.4254% (0.15   0.02   0.02) =   3.742%  kept
    Distance limit 4.16 A violated in 20 structures by 8.98 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   3.83 +/- 0.37  97.081% * 97.7115% (0.38   3.72  22.69) =  99.977%  kept
          HN    GLU-  29 - HD1   TRP   87  23.84 +/- 7.21   1.115% *  1.1204% (0.80   0.02   0.02) =   0.013%
          HN    GLN   30 - HD1   TRP   87  23.27 +/- 7.12   1.241% *  0.4319% (0.31   0.02   0.02) =   0.006%
          HN    VAL   18 - HD1   TRP   87  26.03 +/- 7.83   0.563% *  0.7362% (0.53   0.02   0.02) =   0.004%
    Distance limit 5.29 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 = 0.02, residual support = 0.02:
          QD1   LEU   31 - HH2   TRP   87  18.01 +/- 8.47 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 5.44 A violated in 16 structures by 12.75 A, eliminated.
    Peak unassigned.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.528, support = 1.54, residual support = 3.15:
          QD2   LEU   98 - HH2   TRP   87  13.98 +/- 9.14  26.953% * 59.3495% (0.53  1.00   1.97   4.40) =  70.493%  kept
          QD1   LEU   80 - HH2   TRP   87  10.85 +/- 1.60  26.595% * 17.2135% (0.53  1.00   0.57   0.24) =  20.174%  kept
          QG2   VAL   41 - HH2   TRP   87  16.41 +/- 7.31   8.324% * 16.4254% (0.73  1.00   0.39   0.02) =   6.025%  kept
          QD2   LEU   80 - HH2   TRP   87  11.73 +/- 1.93  18.987% *  2.8552% (0.15  1.00   0.32   0.24) =   2.389%  kept
        T QD2   LEU  115 - HH2   TRP   87  18.74 +/- 4.58   5.894% *  2.0063% (0.18 10.00   0.02   0.02) =   0.521%  kept
          QD2   LEU   63 - HH2   TRP   87  19.52 +/- 5.13   3.633% *  1.1229% (0.98  1.00   0.02   0.02) =   0.180%  kept
          QD1   LEU   73 - HH2   TRP   87  17.16 +/- 5.90   5.691% *  0.5136% (0.45  1.00   0.02   0.02) =   0.129%  kept
          QD1   LEU   63 - HH2   TRP   87  18.96 +/- 5.09   3.923% *  0.5136% (0.45  1.00   0.02   0.02) =   0.089%
    Distance limit 5.27 A violated in 13 structures by 2.81 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 1.97, residual support = 4.36:
          QD1   LEU   98 - HH2   TRP   87  14.44 +/- 9.49  38.442% * 97.7889% (0.76   1.99   4.40) =  99.184%  kept
          QD2   LEU  104 - HH2   TRP   87  17.40 +/- 8.54  14.226% *  0.9352% (0.73   0.02   0.02) =   0.351%  kept
          QG2   THR   46 - HH2   TRP   87  14.87 +/- 3.37  30.053% *  0.3211% (0.25   0.02   0.02) =   0.255%  kept
          QD1   ILE   19 - HH2   TRP   87  22.22 +/- 6.93   8.109% *  0.7292% (0.57   0.02   0.02) =   0.156%  kept
          QG2   VAL   18 - HH2   TRP   87  22.48 +/- 6.78   9.170% *  0.2256% (0.18   0.02   0.02) =   0.055%
    Distance limit 4.79 A violated in 13 structures by 5.94 A, kept.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.52, residual support = 74.4:
        T HA    TRP   87 - HE3   TRP   87   3.79 +/- 0.22  95.781% * 99.8092% (0.80 10.00   3.52  74.40) =  99.998%  kept
          HA    PHE   59 - HE3   TRP   87  23.47 +/- 4.15   0.629% *  0.1203% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HE3   TRP   87  22.56 +/- 9.20   2.783% *  0.0192% (0.15  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HE3   TRP   87  23.52 +/- 4.33   0.807% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.44 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 = 3.21, residual support = 74.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.43 +/- 0.33  98.962% * 99.0099% (1.00  10.0 10.00   3.21  74.40) =  99.990%  kept
        T HB2   PHE   60 - HE3   TRP   87  19.69 +/- 4.51   1.038% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.010%
    Distance limit 5.16 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 = 0.924, support = 0.757, residual support = 3.28:
        T QD1   ILE  103 - HE3   TRP   87  14.08 +/- 8.07  28.763% * 95.3556% (0.95 10.00   0.75   3.29) =  96.849%  kept
          QG2   ILE  103 - HE3   TRP   87  14.94 +/- 7.42  20.931% *  3.9412% (0.28  1.00   1.05   3.29) =   2.913%  kept
          QG2   ILE  119 - HE3   TRP   87  21.88 +/- 3.85   9.214% *  0.2688% (1.00  1.00   0.02   0.02) =   0.087%
          QD2   LEU   71 - HE3   TRP   87  22.10 +/- 4.45   8.185% *  0.2332% (0.87  1.00   0.02   0.02) =   0.067%
          HG3   LYS+  74 - HE3   TRP   87  21.11 +/- 4.24  13.709% *  0.1009% (0.38  1.00   0.02   0.02) =   0.049%
          QD1   LEU   67 - HE3   TRP   87  20.08 +/- 5.01  10.273% *  0.0532% (0.20  1.00   0.02   0.02) =   0.019%
          QD2   LEU   40 - HE3   TRP   87  19.94 +/- 5.45   8.927% *  0.0471% (0.18  1.00   0.02   0.02) =   0.015%
    Distance limit 5.36 A violated in 13 structures by 7.65 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   4.21 +/- 0.16  96.702% * 99.1117% (0.80   4.26  74.40) =  99.992%  kept
          HA    PHE   59 - HD1   TRP   87  21.68 +/- 2.92   0.846% *  0.5602% (0.97   0.02   0.02) =   0.005%
          HA    ASP- 113 - HD1   TRP   87  22.93 +/- 3.39   0.736% *  0.2386% (0.41   0.02   0.02) =   0.002%
          HA    LYS+  99 - HD1   TRP   87  21.97 +/- 6.91   1.715% *  0.0896% (0.15   0.02   0.02) =   0.002%
    Distance limit 5.29 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 = 4.21, residual support = 15.6:
        T HA    VAL   83 - HD1   TRP   87   3.74 +/- 0.29  94.225% * 95.9068% (0.41 10.00   4.21  15.59) =  99.943%  kept
        T HA    VAL   24 - HD1   TRP   87  19.49 +/- 7.41   3.492% *  0.8755% (0.38 10.00   0.02   0.02) =   0.034%
        T HA    LYS+  38 - HD1   TRP   87  25.85 +/- 6.45   0.517% *  2.0922% (0.90 10.00   0.02   0.02) =   0.012%
        T HA    GLU- 100 - HD1   TRP   87  23.88 +/- 7.75   0.906% *  1.0459% (0.45 10.00   0.02   0.02) =   0.010%
          HD2   PRO   58 - HD1   TRP   87  20.97 +/- 2.66   0.860% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 74.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.87 +/- 0.21  98.666% * 99.0099% (1.00  10.0  1.00   3.94  74.40) =  99.986%  kept
        T HB2   PHE   60 - HD1   TRP   87  17.51 +/- 3.34   1.334% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.014%
    Distance limit 5.20 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   2.96 +/- 0.57  95.432% * 98.2033% (1.00 10.00   3.60  22.69) =  99.992%  kept
        T HB2   ASN   28 - HD1   TRP   87  23.11 +/- 7.44   0.556% *  0.8221% (0.84 10.00   0.02   0.02) =   0.005%
        T HB2   ASN   35 - HD1   TRP   87  27.24 +/- 6.40   0.207% *  0.7881% (0.80 10.00   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD1   TRP   87  19.83 +/- 4.60   0.812% *  0.0931% (0.95  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD1   TRP   87  11.81 +/- 2.01   2.710% *  0.0219% (0.22  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD1   TRP   87  24.32 +/- 5.70   0.282% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.81, residual support = 74.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.99 +/- 0.23  96.488% * 99.2543% (0.25  10.0   3.81  74.40) =  99.992%  kept
          HG3   MET   96 - HD1   TRP   87  14.29 +/- 6.13   2.790% *  0.2254% (0.57   1.0   0.02   0.02) =   0.007%
          HG2   GLU-  36 - HD1   TRP   87  29.94 +/- 5.58   0.155% *  0.3187% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HD1   TRP   87  22.03 +/- 3.67   0.360% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  24.54 +/- 3.03   0.207% *  0.1229% (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 227 (0.07, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.869, support = 3.69, residual support = 16.0:
        T QG2   VAL   83 - HD1   TRP   87   2.76 +/- 0.88  52.673% * 86.9483% (0.90 10.00   3.63  15.59) =  89.030%  kept
          QD1   ILE   89 - HD1   TRP   87   3.34 +/- 1.41  43.579% * 12.9469% (0.65  1.00   4.13  19.66) =  10.968%  kept
          QD2   LEU   31 - HD1   TRP   87  17.02 +/- 5.85   0.820% *  0.0917% (0.95  1.00   0.02   0.02) =   0.001%
          QG2   VAL   43 - HD1   TRP   87  10.68 +/- 4.14   2.928% *  0.0131% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.00 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 = 0.928, support = 1.28, residual support = 19.3:
        T QG2   ILE   89 - HD1   TRP   87   4.25 +/- 0.31  50.983% * 91.5742% (0.95 10.00   1.26  19.66) =  92.055%  kept
          QG1   VAL   83 - HD1   TRP   87   4.41 +/- 1.04  48.064% *  8.3830% (0.73  1.00   1.50  15.59) =   7.945%  kept
          QD1   LEU  104 - HD1   TRP   87  18.97 +/- 4.89   0.953% *  0.0428% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 5.35 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 = 0.498, support = 0.664, residual support = 2.99:
          QD2   LEU   98 - HZ2   TRP   87  13.45 +/- 8.40  18.817% * 51.4238% (0.53   0.75   4.40) =  66.318%  kept
          QD1   LEU   80 - HZ2   TRP   87   9.02 +/- 1.61  11.691% * 31.3242% (0.53   0.46   0.24) =  25.098%  kept
          QD2   LEU   80 - HZ2   TRP   87   9.87 +/- 1.95   8.526% *  8.1220% (0.15   0.40   0.24) =   4.746%  kept
          QD2   LEU  115 - HN    ILE   56   6.77 +/- 1.45  22.244% *  1.4581% (0.01   1.47   0.02) =   2.223%  kept
          QG2   VAL   41 - HZ2   TRP   87  15.47 +/- 6.95   6.160% *  1.8927% (0.73   0.02   0.02) =   0.799%  kept
          QD1   LEU   73 - HZ2   TRP   87  15.82 +/- 5.80   5.266% *  1.1685% (0.45   0.02   0.02) =   0.422%  kept
          QD2   LEU   63 - HZ2   TRP   87  18.55 +/- 4.86   0.932% *  2.5548% (0.98   0.02   0.02) =   0.163%  kept
          QD1   LEU   63 - HZ2   TRP   87  18.03 +/- 4.84   1.008% *  1.1685% (0.45   0.02   0.02) =   0.081%
          QD2   LEU   63 - HN    ILE   56  10.52 +/- 1.45   5.771% *  0.1109% (0.04   0.02   0.02) =   0.044%
          QD2   LEU  115 - HZ2   TRP   87  18.22 +/- 4.04   1.356% *  0.4565% (0.18   0.02   0.02) =   0.042%
          QD1   LEU   63 - HN    ILE   56   9.55 +/- 1.88   8.233% *  0.0507% (0.02   0.02   0.02) =   0.029%
          QD1   LEU   73 - HN    ILE   56  14.91 +/- 3.35   4.369% *  0.0507% (0.02   0.02   0.02) =   0.015%
          QG2   VAL   41 - HN    ILE   56  16.52 +/- 1.99   1.287% *  0.0821% (0.03   0.02   0.02) =   0.007%
          QD1   LEU   80 - HN    ILE   56  17.02 +/- 2.41   1.550% *  0.0595% (0.02   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    ILE   56  16.95 +/- 1.75   1.212% *  0.0595% (0.02   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    ILE   56  17.07 +/- 2.31   1.577% *  0.0175% (0.01   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.38 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.384, support = 0.02, residual support = 0.02:
          QG2   VAL   43 - HZ2   TRP   87  11.42 +/- 5.50  34.880% * 71.3019% (0.45   0.02   0.02) =  79.876%  kept
          QD1   LEU   31 - HZ2   TRP   87  16.87 +/- 8.34  21.174% * 24.5388% (0.15   0.02   0.02) =  16.688%  kept
          QG2   VAL   43 - HN    ILE   56  12.78 +/- 1.83  29.663% *  3.0944% (0.02   0.02   0.02) =   2.948%  kept
          QD1   LEU   31 - HN    ILE   56  18.41 +/- 2.89  14.282% *  1.0649% (0.01   0.02   0.02) =   0.488%  kept
    Distance limit 5.25 A violated in 14 structures by 3.93 A, kept.
    Not enough support, support cutoff is 0.34
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.749, support = 2.74, residual support = 56.4:
          HA    TRP   49 - HE3   TRP   49   4.11 +/- 0.73  47.861% * 48.8842% (0.69   3.18  86.03) =  63.426%  kept
          HA    CYS   50 - HE3   TRP   49   5.48 +/- 1.21  30.925% * 40.3592% (0.87   2.08   4.26) =  33.835%  kept
          HA    ALA   47 - HE3   TRP   49   7.15 +/- 0.78   9.969% *  9.7868% (0.76   0.57  16.17) =   2.645%  kept
          HA1   GLY  109 - HE3   TRP   49  15.56 +/- 4.51   6.328% *  0.3738% (0.84   0.02   0.02) =   0.064%
          HA    VAL  108 - HE3   TRP   49  15.62 +/- 4.43   3.162% *  0.2895% (0.65   0.02   0.02) =   0.025%
          HA    LYS+ 102 - HE3   TRP   49  27.57 +/- 6.64   1.439% *  0.0886% (0.20   0.02   0.02) =   0.003%
          HA    CYS   21 - HE3   TRP   49  24.21 +/- 4.98   0.315% *  0.2179% (0.49   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 = 3.54, residual support = 86.0:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  85.408% * 98.2148% (1.00   3.54  86.03) =  99.948%  kept
          QE    PHE   95 - HE3   TRP   49  12.71 +/- 1.68   8.205% *  0.2084% (0.38   0.02   0.02) =   0.020%
          HN    LEU   67 - HE3   TRP   49  20.27 +/- 5.12   3.608% *  0.4447% (0.80   0.02   0.02) =   0.019%
          HD2   HIS   22 - HE3   TRP   49  25.48 +/- 5.70   1.059% *  0.5444% (0.98   0.02   0.02) =   0.007%
          HN    THR   23 - HE3   TRP   49  24.32 +/- 4.80   1.071% *  0.2283% (0.41   0.02   0.02) =   0.003%
          HD21  ASN   35 - HE3   TRP   49  30.05 +/- 5.17   0.650% *  0.3593% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.64 A violated in 0 structures by 0.44 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 0.02, residual support = 42.6:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  43.056% * 16.7579% (0.84   0.02  86.03) =  49.510%  kept
          HN    LEU   67 - HH2   TRP   49  18.82 +/- 6.69  14.229% * 20.0629% (1.00   0.02   0.02) =  19.589%  kept
          QE    PHE   95 - HH2   TRP   49  11.06 +/- 2.43  16.365% * 15.3326% (0.76   0.02   0.02) =  17.218%  kept
          QD    PHE   55 - HH2   TRP   49  10.44 +/- 3.39  20.174% *  6.8436% (0.34   0.02   0.02) =   9.474%  kept
          HN    THR   23 - HH2   TRP   49  23.37 +/- 4.84   1.447% * 16.0651% (0.80   0.02   0.02) =   1.596%  kept
          HD2   HIS   22 - HH2   TRP   49  24.45 +/- 5.78   1.428% * 13.7814% (0.69   0.02   0.02) =   1.350%  kept
          HE3   TRP   27 - HH2   TRP   49  21.61 +/- 4.16   2.092% *  5.5782% (0.28   0.02   0.02) =   0.801%  kept
          HD21  ASN   35 - HH2   TRP   49  28.17 +/- 5.82   1.210% *  5.5782% (0.28   0.02   0.02) =   0.463%  kept
    Distance limit 4.54 A violated in 15 structures by 1.65 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 4.04, residual support = 57.4:
          HA    TRP   49 - HD1   TRP   49   4.33 +/- 0.36  39.192% * 45.1931% (0.69   4.91  86.03) =  62.640%  kept
          HA    CYS   50 - HD1   TRP   49   6.13 +/- 0.59  14.737% * 41.2343% (0.87   3.55   4.26) =  21.490%  kept
          HA    ALA   47 - HD1   TRP   49   4.62 +/- 0.61  34.359% * 12.9918% (0.76   1.27  16.17) =  15.787%  kept
          HA1   GLY  109 - HD1   TRP   49  15.61 +/- 4.31   7.767% *  0.2239% (0.84   0.02   0.02) =   0.062%
          HA    VAL  108 - HD1   TRP   49  15.16 +/- 3.75   3.005% *  0.1734% (0.65   0.02   0.02) =   0.018%
          HA    CYS   21 - HD1   TRP   49  23.10 +/- 5.97   0.477% *  0.1305% (0.49   0.02   0.02) =   0.002%
          HA    LYS+ 102 - HD1   TRP   49  26.02 +/- 5.68   0.463% *  0.0530% (0.20   0.02   0.02) =   0.001%
    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 = 0.464, support = 0.725, residual support = 4.27:
          QD1   LEU   98 - HZ3   TRP   87  14.89 +/- 9.47  66.953% * 94.4037% (0.45   0.75   4.40) =  97.157%  kept
          QG2   ILE   19 - HZ3   TRP   87  22.60 +/- 6.58  33.047% *  5.5963% (0.99   0.02   0.02) =   2.843%  kept
    Distance limit 5.50 A violated in 13 structures by 8.84 A, kept.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.796, support = 1.93, residual support = 3.25:
          QG2   ILE  103 - HZ3   TRP   87  14.83 +/- 8.19  19.359% * 56.5633% (0.95   1.90   3.29) =  49.614%  kept
          QD1   ILE  103 - HZ3   TRP   87  13.91 +/- 8.90  26.694% * 40.8165% (0.65   2.00   3.29) =  49.366%  kept
          HG3   LYS+  74 - HZ3   TRP   87  22.08 +/- 4.62  10.350% *  0.6249% (0.99   0.02   0.02) =   0.293%  kept
          QD1   LEU   67 - HZ3   TRP   87  20.52 +/- 5.38   8.307% *  0.5469% (0.87   0.02   0.02) =   0.206%  kept
          QD2   LEU   40 - HZ3   TRP   87  20.00 +/- 6.23   7.532% *  0.5266% (0.84   0.02   0.02) =   0.180%  kept
          QD2   LEU   71 - HZ3   TRP   87  22.29 +/- 5.04   6.838% *  0.4818% (0.76   0.02   0.02) =   0.149%  kept
          QG2   ILE  119 - HZ3   TRP   87  22.40 +/- 4.33   7.728% *  0.2827% (0.45   0.02   0.02) =   0.099%
          HB    VAL   75 - HZ3   TRP   87  18.18 +/- 4.99  13.191% *  0.1572% (0.25   0.02   0.02) =   0.094%
    Distance limit 5.50 A violated in 13 structures by 6.25 A, kept.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.765, support = 0.878, residual support = 2.52:
          HG12  ILE  103 - HZ3   TRP   87  17.40 +/-10.56  23.344% * 60.4375% (0.76   1.01   3.29) =  76.415%  kept
          QB    LYS+ 102 - HZ3   TRP   87  19.60 +/- 9.91  11.549% * 31.4130% (0.76   0.53   0.02) =  19.650%  kept
          HG2   PRO   93 - HZ3   TRP   87  17.34 +/- 3.28  18.208% *  1.4782% (0.95   0.02   0.02) =   1.458%  kept
          HB3   PRO   52 - HZ3   TRP   87  19.77 +/- 4.23  15.641% *  0.7606% (0.49   0.02   0.02) =   0.644%  kept
          HB    VAL   41 - HZ3   TRP   87  20.70 +/- 7.72   7.371% *  1.4014% (0.90   0.02   0.02) =   0.559%  kept
          QB    LYS+  66 - HZ3   TRP   87  24.31 +/- 5.32   5.361% *  1.5488% (0.99   0.02   0.02) =   0.450%  kept
          QB    LYS+  65 - HZ3   TRP   87  22.68 +/- 5.41   7.433% *  1.0109% (0.65   0.02   0.02) =   0.407%  kept
          HB2   LEU   71 - HZ3   TRP   87  26.63 +/- 6.81   5.000% *  0.9478% (0.61   0.02   0.02) =   0.257%  kept
          HG    LEU  123 - HZ3   TRP   87  30.47 +/- 5.12   2.874% *  0.7606% (0.49   0.02   0.02) =   0.118%  kept
          HB3   GLN   17 - HZ3   TRP   87  30.94 +/- 8.31   3.218% *  0.2411% (0.15   0.02   0.02) =   0.042%
    Distance limit 5.50 A violated in 12 structures by 5.84 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.06 +/- 0.52 100.000% *100.0000% (0.61   3.86  73.46) = 100.000%  kept
    Distance limit 5.09 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   2.43 +/- 0.40 100.000% *100.0000% (0.98 10.00   3.44  73.46) = 100.000%  kept
    Distance limit 5.13 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 = 0.894, support = 1.96, residual support = 4.29:
          HA    ASP-  44 - QD    PHE   95   3.74 +/- 1.64  58.918% * 93.0758% (0.90   1.96   4.30) =  99.600%  kept
          HB    THR   77 - QD    PHE   95  10.65 +/- 2.39   6.616% *  0.8827% (0.84   0.02   0.02) =   0.106%  kept
          HA    ILE  103 - QD    PHE   95  10.98 +/- 1.01   6.625% *  0.7674% (0.73   0.02   0.02) =   0.092%
          HA    THR   39 - QD    PHE   95  15.17 +/- 1.88   7.645% *  0.2938% (0.28   0.02   0.02) =   0.041%
          HA    GLU-  79 - QD    PHE   95  14.89 +/- 2.91   4.386% *  0.3605% (0.34   0.02   0.02) =   0.029%
          HA    SER   85 - QD    PHE   95  16.81 +/- 3.01   1.728% *  0.8827% (0.84   0.02   0.02) =   0.028%
          HA    ASP-  86 - QD    PHE   95  16.52 +/- 3.69   1.838% *  0.7674% (0.73   0.02   0.02) =   0.026%
          HA    LEU  104 - QD    PHE   95  11.83 +/- 1.33   4.720% *  0.2938% (0.28   0.02   0.02) =   0.025%
          HA1   GLY   51 - QD    PHE   95  13.73 +/- 1.74   5.046% *  0.2091% (0.20   0.02   0.02) =   0.019%
          HA    GLU-  14 - QD    PHE   95  21.13 +/- 2.36   1.309% *  0.6836% (0.65   0.02   0.02) =   0.016%
          HA    ALA   12 - QD    PHE   95  24.90 +/- 2.81   0.711% *  0.8076% (0.76   0.02   0.02) =   0.010%
          HA    MET   11 - QD    PHE   95  26.73 +/- 3.35   0.459% *  0.9755% (0.92   0.02   0.02) =   0.008%
    Distance limit 5.06 A violated in 1 structures by 0.28 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   2.37 +/- 0.09 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.46) = 100.000%  kept
    Distance limit 4.59 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 = 73.4:
      O T HB3   PHE   95 - QD    PHE   95   2.66 +/- 0.15  96.850% * 96.3284% (0.99  10.0 10.00   3.31  73.46) =  99.889%  kept
          HG2   GLN  116 - QD    PHE   95   9.09 +/- 1.00   2.855% *  3.6446% (1.00   1.0  1.00   0.75   0.02) =   0.111%  kept
          HG2   GLU-  25 - QD    PHE   95  20.32 +/- 3.16   0.295% *  0.0270% (0.28   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 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.916, support = 3.52, residual support = 41.3:
        T HB    VAL  107 - QD    PHE   95   2.50 +/- 0.51  68.559% * 93.0004% (0.92 10.00   3.55  41.95) =  98.256%  kept
          QE    LYS+ 112 - QD    PHE   95   7.34 +/- 2.58  23.905% *  4.0650% (0.53  1.00   1.53   4.12) =   1.497%  kept
          HB3   PHE   45 - QD    PHE   95   6.97 +/- 0.99   5.687% *  2.7974% (0.53  1.00   1.06   1.89) =   0.245%  kept
          QG    GLU-  79 - QD    PHE   95  13.55 +/- 2.34   1.520% *  0.0530% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  17.69 +/- 2.55   0.329% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.687, support = 0.674, residual support = 2.66:
          HB3   ASP-  44 - QD    PHE   95   4.67 +/- 2.51  27.849% * 21.9072% (0.76   0.75   4.30) =  47.521%  kept
          HB2   LEU   63 - QD    PHE   95   7.31 +/- 1.83   9.341% * 19.5357% (0.65   0.79   1.58) =  14.215%  kept
          HB3   PRO   93 - QD    PHE   95   5.03 +/- 1.13  17.205% *  9.0649% (1.00   0.24   0.02) =  12.149%  kept
          HB    VAL   42 - QD    PHE   95   6.87 +/- 1.64  11.218% * 12.0814% (0.31   1.02   1.02) =  10.556%  kept
          HB2   LYS+ 112 - QD    PHE   95   7.92 +/- 2.31  11.780% *  7.0535% (0.49   0.38   4.12) =   6.472%  kept
          HG3   LYS+ 106 - QD    PHE   95   8.28 +/- 0.85   3.600% * 15.3207% (0.61   0.66   0.02) =   4.296%  kept
          HB3   LEU   73 - QD    PHE   95  10.27 +/- 3.66   8.139% *  5.7277% (0.38   0.40   0.37) =   3.631%  kept
          HG    LEU   98 - QD    PHE   95  10.99 +/- 1.44   1.640% *  4.3310% (0.97   0.12   0.02) =   0.553%  kept
          HG2   LYS+ 111 - QD    PHE   95   8.72 +/- 1.78   3.646% *  1.0901% (0.31   0.09   0.13) =   0.310%  kept
          HG3   LYS+  65 - QD    PHE   95  12.01 +/- 1.67   1.199% *  1.2457% (0.31   0.11   0.02) =   0.116%  kept
          QB    ALA   84 - QD    PHE   95  12.56 +/- 2.08   1.294% *  0.7627% (1.00   0.02   0.02) =   0.077%
          QB    ALA  124 - QD    PHE   95  13.15 +/- 1.50   0.890% *  0.6856% (0.90   0.02   0.02) =   0.048%
          HB3   LEU   80 - QD    PHE   95  14.01 +/- 2.85   0.937% *  0.4022% (0.53   0.02   0.02) =   0.029%
          HG3   LYS+ 102 - QD    PHE   95  16.11 +/- 1.44   0.443% *  0.3143% (0.41   0.02   0.02) =   0.011%
          HB2   LEU   31 - QD    PHE   95  15.63 +/- 3.12   0.466% *  0.2869% (0.38   0.02   0.02) =   0.010%
          HG3   LYS+  33 - QD    PHE   95  17.49 +/- 1.94   0.353% *  0.1906% (0.25   0.02   0.02) =   0.005%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.76, residual support = 41.9:
        T QG2   VAL  107 - QD    PHE   95   2.32 +/- 0.59  93.724% * 98.8010% (0.99 10.00   3.76  41.95) =  99.951%  kept
          HG13  ILE  103 - QD    PHE   95  10.53 +/- 1.54   4.092% *  1.0640% (0.80  1.00   0.27   0.02) =   0.047%
          HG2   LYS+ 121 - QD    PHE   95  11.95 +/- 2.85   1.480% *  0.0865% (0.87  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD    PHE   95  13.43 +/- 1.94   0.704% *  0.0485% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.974, support = 1.49, residual support = 7.1:
        T QD2   LEU  115 - QD    PHE   95   4.69 +/- 1.86  32.340% * 82.5425% (0.99 10.00   1.44   7.96) =  86.930%  kept
          QD1   LEU   63 - QD    PHE   95   5.72 +/- 2.34  27.673% * 11.0210% (0.90  1.00   2.12   1.58) =   9.932%  kept
          QD1   LEU   73 - QD    PHE   95   9.21 +/- 3.26  17.341% *  4.0378% (0.90  1.00   0.78   0.37) =   2.280%  kept
          QD2   LEU   63 - QD    PHE   95   6.76 +/- 1.77  11.840% *  2.1444% (0.31  1.00   1.20   1.58) =   0.827%  kept
          QD1   LEU  104 - QD    PHE   95  10.00 +/- 2.08   6.153% *  0.0969% (0.84  1.00   0.02   0.02) =   0.019%
          QD2   LEU   80 - QD    PHE   95  12.33 +/- 2.24   2.273% *  0.1137% (0.98  1.00   0.02   0.02) =   0.008%
          QG1   VAL   83 - QD    PHE   95  11.60 +/- 2.40   2.380% *  0.0435% (0.38  1.00   0.02   0.02) =   0.003%
    Distance limit 5.20 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 = 0.647, support = 0.742, residual support = 0.946:
        T QG1   VAL   42 - QD    PHE   95   4.27 +/- 1.31  50.326% * 69.7430% (0.65 10.00   0.75   1.02) =  90.846%  kept
        T QB    ALA   47 - QD    PHE   95   8.72 +/- 1.06   9.140% * 20.8864% (0.76 10.00   0.19   0.02) =   4.941%  kept
          QB    ALA   64 - QD    PHE   95   7.14 +/- 1.37  17.313% *  9.2818% (0.53  1.00   1.23   0.50) =   4.159%  kept
          HG2   LYS+ 112 - QD    PHE   95   8.22 +/- 2.87  23.221% *  0.0887% (0.31  1.00   0.02   4.12) =   0.053%
    Distance limit 4.91 A violated in 1 structures by 0.12 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.692, support = 4.55, residual support = 13.6:
          HA    ILE  119 - HD2   HIS  122   2.83 +/- 1.11  69.249% * 58.9121% (0.73   4.68  15.79) =  78.770%  kept
          HA    THR  118 - HD2   HIS  122   4.86 +/- 0.51  27.268% * 40.3078% (0.57   4.10   5.28) =  21.222%  kept
          HD3   PRO   58 - HD2   HIS  122  11.91 +/- 2.33   1.681% *  0.1071% (0.31   0.02   0.02) =   0.003%
          HA    VAL   75 - HD2   HIS  122  17.54 +/- 2.75   0.630% *  0.1965% (0.57   0.02   0.02) =   0.002%
          HA2   GLY  109 - HD2   HIS  122  16.41 +/- 3.14   0.781% *  0.0965% (0.28   0.02   0.02) =   0.001%
          HB2   TRP   49 - HD2   HIS  122  22.94 +/- 2.69   0.230% *  0.2245% (0.65   0.02   0.02) =   0.001%
          HA    ALA   84 - HD2   HIS  122  25.16 +/- 2.61   0.160% *  0.1556% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.17 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 = 3.9, residual support = 76.1:
      O T HB2   HIS  122 - HD2   HIS  122   3.76 +/- 0.41  94.020% * 99.7225% (0.49  10.0 10.00   3.90  76.08) =  99.993%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.43 +/- 1.26   3.178% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB2   HIS   22 - HD2   HIS  122  22.66 +/- 5.59   1.320% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HD2   HIS  122  17.17 +/- 2.81   1.482% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.28 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 = 0.95, support = 4.32, residual support = 74.9:
      O T HB3   HIS  122 - HD2   HIS  122   3.05 +/- 0.37  72.841% * 86.1011% (0.97  10.0 10.00   4.31  76.08) =  94.493%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.58 +/- 1.23  26.429% * 13.8285% (0.69   1.0  1.00   4.51  55.07) =   5.506%  kept
          HG2   GLN   30 - HD2   HIS  122  18.56 +/- 4.32   0.544% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  23.69 +/- 2.57   0.186% *  0.0505% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.583, support = 0.0686, residual support = 0.02:
          HB3   ASP- 105 - HD2   HIS  122  11.39 +/- 6.97  24.871% * 11.6427% (0.34   0.08   0.02) =  32.465%  kept
          QB    LYS+ 106 - HD2   HIS  122  13.14 +/- 4.65   8.290% * 31.8351% (0.65   0.12   0.02) =  29.591%  kept
          HB    ILE   56 - HD2   HIS  122  12.45 +/- 2.15  11.310% *  8.2379% (0.98   0.02   0.02) =  10.446%  kept
          HB3   PRO   58 - HD2   HIS  122  11.51 +/- 3.14  16.280% *  5.0975% (0.61   0.02   0.02) =   9.304%  kept
          HB3   GLN   30 - HD2   HIS  122  17.80 +/- 4.33   5.030% *  7.7582% (0.92   0.02   0.02) =   4.376%  kept
          HB3   LYS+  38 - HD2   HIS  122  17.34 +/- 5.58   4.595% *  8.3857% (1.00   0.02   0.02) =   4.320%  kept
          HG3   PRO   68 - HD2   HIS  122  13.43 +/- 5.09  14.161% *  2.0956% (0.25   0.02   0.02) =   3.327%  kept
          QB    LYS+  33 - HD2   HIS  122  17.59 +/- 4.34   4.310% *  3.7679% (0.45   0.02   0.02) =   1.821%  kept
          HB2   MET   92 - HD2   HIS  122  19.00 +/- 1.91   1.761% *  6.7296% (0.80   0.02   0.02) =   1.329%  kept
          HG2   ARG+  54 - HD2   HIS  122  17.33 +/- 2.54   3.870% *  2.5940% (0.31   0.02   0.02) =   1.126%  kept
          HB    ILE  103 - HD2   HIS  122  16.95 +/- 6.10   3.880% *  2.3367% (0.28   0.02   0.02) =   1.017%  kept
          QB    LYS+  81 - HD2   HIS  122  24.58 +/- 3.35   0.847% *  5.0975% (0.61   0.02   0.02) =   0.484%  kept
          HB3   GLN   90 - HD2   HIS  122  25.28 +/- 1.86   0.794% *  4.4217% (0.53   0.02   0.02) =   0.394%  kept
    Distance limit 5.20 A violated in 10 structures by 1.44 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 = 0.883, support = 5.89, residual support = 53.5:
          HB2   LYS+ 121 - HD2   HIS  122   3.62 +/- 0.50  68.220% * 68.6946% (0.92   6.04  55.07) =  89.849%  kept
          HB2   LEU  123 - HD2   HIS  122   6.51 +/- 0.75  17.581% * 30.0092% (0.53   4.63  39.61) =  10.115%  kept
          QD    LYS+  65 - HD2   HIS  122  13.89 +/- 2.35   2.582% *  0.2331% (0.95   0.02   0.02) =   0.012%
          QD    LYS+  38 - HD2   HIS  122  16.15 +/- 5.39   1.792% *  0.2459% (1.00   0.02   0.02) =   0.008%
          QD    LYS+ 102 - HD2   HIS  122  18.36 +/- 5.84   1.359% *  0.1883% (0.76   0.02   0.02) =   0.005%
          QB    ALA   57 - HD2   HIS  122  11.58 +/- 2.08   4.584% *  0.0380% (0.15   0.02   0.02) =   0.003%
          HG3   PRO   93 - HD2   HIS  122  15.66 +/- 1.55   1.045% *  0.1395% (0.57   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HD2   HIS  122  16.94 +/- 2.44   1.027% *  0.0925% (0.38   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   HIS  122  23.96 +/- 3.57   0.371% *  0.2416% (0.98   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HD2   HIS  122  17.21 +/- 1.70   0.714% *  0.0685% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  17.76 +/- 1.92   0.725% *  0.0488% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.09 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 = 0.833, support = 4.97, residual support = 54.9:
          HB3   LYS+ 121 - HD2   HIS  122   4.21 +/- 0.84  45.963% * 70.4645% (1.00   4.84  55.07) =  74.736%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.54 +/- 1.23  40.388% * 26.8172% (0.34   5.39  55.07) =  24.993%  kept
          HG    LEU  104 - HD2   HIS  122  14.10 +/- 7.61   6.200% *  1.7038% (1.00   0.12   0.02) =   0.244%  kept
          QD    LYS+  66 - HD2   HIS  122  13.18 +/- 2.92   2.063% *  0.2118% (0.73   0.02   0.02) =   0.010%
          HB3   LYS+ 111 - HD2   HIS  122  14.65 +/- 1.76   1.017% *  0.2814% (0.97   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HD2   HIS  122  17.64 +/- 2.49   0.595% *  0.2759% (0.95   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HD2   HIS  122  14.49 +/- 2.65   1.572% *  0.0811% (0.28   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HD2   HIS  122  18.91 +/- 4.76   1.017% *  0.0995% (0.34   0.02   0.02) =   0.002%
          QG2   THR   26 - HD2   HIS  122  17.49 +/- 3.77   1.185% *  0.0649% (0.22   0.02   0.02) =   0.002%
    Distance limit 5.22 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 = 0.58, support = 2.23, residual support = 9.44:
          QG2   ILE  119 - HD2   HIS  122   4.55 +/- 1.04  42.358% * 38.2140% (0.18  1.00   3.70  15.79) =  50.677%  kept
          QD2   LEU   40 - HD2   HIS  122   7.57 +/- 4.79  33.756% * 44.1980% (1.00  1.00   0.75   3.08) =  46.709%  kept
          QD1   LEU   67 - HD2   HIS  122  10.00 +/- 2.85   8.353% *  7.8724% (1.00  1.00   0.13   0.02) =   2.059%  kept
        T HB    VAL   75 - HD2   HIS  122  15.33 +/- 2.71   1.143% *  6.6728% (0.57 10.00   0.02   0.02) =   0.239%  kept
          QG2   ILE  103 - HD2   HIS  122  12.54 +/- 4.90   4.716% *  1.1374% (0.97  1.00   0.02   0.02) =   0.168%  kept
          QD2   LEU   71 - HD2   HIS  122  10.77 +/- 3.55   6.655% *  0.4845% (0.41  1.00   0.02   0.02) =   0.101%  kept
          QD1   ILE  103 - HD2   HIS  122  14.27 +/- 4.88   2.395% *  0.3638% (0.31  1.00   0.02   0.02) =   0.027%
          HG3   LYS+  74 - HD2   HIS  122  17.95 +/- 2.46   0.623% *  1.0570% (0.90  1.00   0.02   0.02) =   0.021%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.49, support = 4.43, residual support = 39.1:
          QD1   LEU  123 - HD2   HIS  122   4.57 +/- 1.01  43.713% * 52.2223% (0.49   4.61  39.61) =  79.600%  kept
          QD2   LEU  123 - HD2   HIS  122   6.60 +/- 0.85  12.091% * 45.0560% (0.49   3.98  39.61) =  18.995%  kept
          HB3   LEU  104 - HD2   HIS  122  13.17 +/- 7.63  15.933% *  2.2742% (0.84   0.12   0.02) =   1.263%  kept
          QG1   VAL   70 - HD2   HIS  122   8.39 +/- 4.22  21.663% *  0.1293% (0.28   0.02   0.02) =   0.098%
          QD1   LEU   71 - HD2   HIS  122  11.63 +/- 3.47   4.681% *  0.2263% (0.49   0.02   0.02) =   0.037%
          QG1   VAL   18 - HD2   HIS  122  12.96 +/- 2.31   1.919% *  0.0920% (0.20   0.02   0.02) =   0.006%
    Distance limit 5.30 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 = 5.28:
        T QG2   THR  118 - HD2   HIS  122   3.32 +/- 0.38 100.000% *100.0000% (0.69 10.00   1.38   5.28) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.01 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 = 0.886, support = 1.28, residual support = 18.6:
          HB3   LEU   73 - HE3   TRP   27   5.58 +/- 3.37  25.980% * 43.7528% (0.94   1.39  26.40) =  69.856%  kept
          HB    VAL   42 - HE3   TRP   27   9.52 +/- 2.65  10.043% * 35.4716% (0.97   1.09   0.51) =  21.892%  kept
          HG3   LYS+  65 - HN    LEU   67   6.47 +/- 1.19  13.071% *  4.6392% (0.15   0.92   0.33) =   3.727%  kept
          HB3   LYS+  74 - HE3   TRP   27   9.18 +/- 2.37   5.940% *  8.1300% (0.31   0.79   0.02) =   2.968%  kept
          HB2   LEU   80 - HE3   TRP   27  15.27 +/- 6.28   5.914% *  2.6716% (0.17   0.46   3.03) =   0.971%  kept
          HG3   LYS+  33 - HE3   TRP   27   8.58 +/- 1.11   5.472% *  0.6618% (0.99   0.02   0.02) =   0.223%  kept
          QB    LEU   98 - HE3   TRP   27  10.72 +/- 3.78   3.845% *  0.3755% (0.56   0.02   0.02) =   0.089%
          HB3   PRO   93 - HE3   TRP   27  15.94 +/- 3.40   4.881% *  0.1477% (0.22   0.02   0.02) =   0.044%
          HG3   LYS+  65 - HE3   TRP   27  14.80 +/- 2.61   0.987% *  0.6501% (0.97   0.02   0.02) =   0.039%
          QB    ALA   12 - HE3   TRP   27  16.98 +/- 3.22   0.958% *  0.5540% (0.83   0.02   0.02) =   0.033%
          HG3   LYS+ 106 - HE3   TRP   27  16.23 +/- 3.98   0.873% *  0.5069% (0.76   0.02   0.02) =   0.027%
          HG3   LYS+ 102 - HE3   TRP   27  18.15 +/- 4.65   0.555% *  0.6122% (0.91   0.02   0.02) =   0.021%
          HB    VAL   42 - HN    LEU   67   9.96 +/- 1.92   2.907% *  0.1012% (0.15   0.02   0.02) =   0.018%
          HG    LEU   98 - HE3   TRP   27  11.66 +/- 4.00   2.750% *  0.0898% (0.13   0.02   0.02) =   0.015%
          HB2   LYS+ 112 - HE3   TRP   27  22.15 +/- 3.96   0.352% *  0.5753% (0.86   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - HE3   TRP   27  19.31 +/- 5.44   0.949% *  0.1844% (0.28   0.02   0.02) =   0.011%
          HB3   LEU   73 - HN    LEU   67  11.42 +/- 1.35   1.703% *  0.0976% (0.15   0.02   0.02) =   0.010%
          QB    ALA   84 - HE3   TRP   27  16.21 +/- 4.61   1.264% *  0.1313% (0.20   0.02   0.02) =   0.010%
          HB3   LYS+  74 - HN    LEU   67  10.31 +/- 2.01   4.293% *  0.0319% (0.05   0.02   0.02) =   0.008%
          HG3   LYS+  33 - HN    LEU   67  15.34 +/- 2.47   1.004% *  0.1030% (0.15   0.02   0.02) =   0.006%
          QB    LEU   98 - HN    LEU   67  15.30 +/- 3.75   1.209% *  0.0584% (0.09   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    LEU   67  16.01 +/- 2.89   0.750% *  0.0862% (0.13   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HN    LEU   67  18.92 +/- 2.24   0.495% *  0.0895% (0.13   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    LEU   67  19.45 +/- 3.42   0.436% *  0.0789% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   67  23.46 +/- 4.72   0.255% *  0.0953% (0.14   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LEU   67  16.95 +/- 3.43   0.774% *  0.0287% (0.04   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LEU   67  15.44 +/- 2.37   0.668% *  0.0230% (0.03   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   67  16.74 +/- 3.95   0.896% *  0.0140% (0.02   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  19.36 +/- 3.66   0.419% *  0.0181% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  19.08 +/- 2.77   0.357% *  0.0204% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.41 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        :     76
      with multiple volume contributions     :    128
      eliminated by violation filter         :     10
 
    Peaks:
      selected                               :    244
      without assignment                     :     23
      with assignment                        :    221
      with unique assignment                 :    103
      with multiple assignment               :    118
      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             :    189
 
    Atoms with eliminated volume contribution > 2.5: