- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=0.5 volume=0.001 rsupport=0.75 tsupport=1.0
        0 quality=0.2 violation=1.5
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.943, support = 3.35, residual support = 47.2:
      O   HA    MET   11 - HN    MET   11   2.80 +/- 0.17  79.974% * 92.0036% (0.95  10.0   3.37  47.75) =  98.448%  kept
          HA    ALA   12 - HN    MET   11   4.96 +/- 0.37  15.591% *  7.4253% (0.73   1.0   2.10  11.97) =   1.549%  kept
          HA    GLU-  14 - HN    MET   11  10.44 +/- 1.78   2.664% *  0.0590% (0.61   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    MET   11  28.82 +/- 8.33   0.507% *  0.0844% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    MET   11  26.50 +/- 5.70   0.191% *  0.0898% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  26.33 +/- 8.00   0.419% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  21.04 +/- 4.88   0.269% *  0.0300% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  30.03 +/- 5.69   0.092% *  0.0743% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  34.91 +/- 7.80   0.075% *  0.0844% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  33.85 +/- 7.44   0.075% *  0.0668% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  32.62 +/- 6.68   0.079% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  31.91 +/- 4.14   0.064% *  0.0243% (0.25   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 = 0.565, support = 2.81, residual support = 12.2:
      O   HA    ALA   12 - HN    ALA   12   2.83 +/- 0.16  40.784% * 68.6590% (0.71  10.0   2.38  12.42) =  61.918%  kept
      O   HA    MET   11 - HN    ALA   12   2.55 +/- 0.28  55.447% * 31.0568% (0.32  10.0   3.50  11.97) =  38.077%  kept
          HA    GLU-  14 - HN    ALA   12   7.90 +/- 1.12   3.393% *  0.0691% (0.72   1.0   0.02   0.02) =   0.005%
          HB    THR   77 - HN    ALA   12  28.41 +/- 6.71   0.129% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  33.18 +/- 6.41   0.036% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.30 +/- 4.60   0.087% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.38 +/- 3.55   0.039% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.58 +/- 4.89   0.053% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  34.39 +/- 6.43   0.032% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.137, support = 1.71, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.61 +/- 0.38  83.800% * 87.3225% (0.14  10.0   1.72   5.16) =  97.674%  kept
          HA    GLU-  14 - HN    SER   13   4.91 +/- 0.54  15.773% * 11.0349% (0.20   1.0   1.48   6.62) =   2.323%  kept
          HA    PHE   59 - HN    SER   13  23.77 +/- 2.86   0.189% *  0.3952% (0.53   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    SER   13  31.68 +/- 4.61   0.071% *  0.7363% (0.98   1.0   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    SER   13  28.60 +/- 2.89   0.097% *  0.3952% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    SER   13  31.81 +/- 5.01   0.071% *  0.1159% (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 = 6.12:
      O   QB    SER   13 - HN    SER   13   2.94 +/- 0.27  96.664% * 99.5044% (0.87  10.0   2.06   6.12) =  99.996%  kept
          HB3   SER   37 - HN    SER   13  14.99 +/- 5.10   2.004% *  0.1124% (0.98   1.0   0.02   0.02) =   0.002%
          HB    THR   39 - HN    SER   13  15.94 +/- 4.17   0.959% *  0.1029% (0.90   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    SER   13  28.33 +/- 3.11   0.121% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.67 +/- 4.43   0.098% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  28.28 +/- 5.13   0.154% *  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 = 5.47, residual support = 50.2:
      O   HA    GLN   17 - HN    VAL   18   2.59 +/- 0.08  86.222% * 99.5491% (0.81  10.0   5.47  50.22) =  99.992%  kept
          HA    SER   37 - HN    VAL   18  16.05 +/- 4.09   3.141% *  0.0995% (0.81   1.0   0.02   0.02) =   0.004%
          HA    GLU-  15 - HN    VAL   18   7.30 +/- 0.48   4.032% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    VAL   18  11.62 +/- 2.12   3.565% *  0.0297% (0.24   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    VAL   18  13.59 +/- 3.33   0.768% *  0.1100% (0.89   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    VAL   18  17.17 +/- 4.26   0.419% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  13.39 +/- 3.34   1.146% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  19.07 +/- 3.80   0.580% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  24.23 +/- 4.45   0.126% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.363, support = 5.55, residual support = 75.5:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.03  84.125% * 86.2140% (0.36  10.0   5.59  76.44) =  98.823%  kept
          HA1   GLY   16 - HN    VAL   18   6.72 +/- 0.11   6.565% * 12.9081% (0.43   1.0   2.51   0.02) =   1.155%  kept
          HA    VAL   70 - HN    VAL   18   9.94 +/- 3.07   4.010% *  0.1993% (0.84   1.0   0.02   0.02) =   0.011%
          HB2   SER   37 - HN    VAL   18  13.75 +/- 3.93   3.213% *  0.1839% (0.77   1.0   0.02   0.02) =   0.008%
          HA    GLN  116 - HN    VAL   18  18.00 +/- 3.03   0.457% *  0.1993% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   18  16.72 +/- 2.52   0.884% *  0.0944% (0.40   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   18  16.34 +/- 2.38   0.552% *  0.1301% (0.55   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    VAL   18  22.91 +/- 4.56   0.195% *  0.0709% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.53:
      O   HA    SER   13 - HN    GLU-  14   2.51 +/- 0.32  80.941% * 89.8166% (0.67  10.0   2.10   6.62) =  98.179%  kept
          HA    GLU-  15 - HN    GLU-  14   4.96 +/- 0.47  13.788% *  9.7545% (0.67   1.0   2.17   1.58) =   1.816%  kept
          HA    GLN   17 - HN    GLU-  14   9.04 +/- 1.13   2.510% *  0.0676% (0.51   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    GLU-  14  14.20 +/- 5.00   1.587% *  0.0676% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLU-  14  17.41 +/- 3.47   0.349% *  0.0777% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  21.17 +/- 3.18   0.227% *  0.0880% (0.66   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  25.07 +/- 2.80   0.103% *  0.0745% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  19.57 +/- 3.13   0.229% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  25.26 +/- 5.76   0.170% *  0.0207% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.89 +/- 2.87   0.097% *  0.0144% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.69, residual support = 17.6:
          HN    GLN   17 - HN    GLY   16   2.42 +/- 0.13  91.583% * 87.0362% (0.13   3.69  17.66) =  99.898%  kept
          HN    THR   39 - HN    GLY   16  11.06 +/- 4.63   7.007% *  0.5376% (0.15   0.02   0.16) =   0.047%
          HN    ALA   61 - HN    GLY   16  15.72 +/- 3.21   0.807% *  3.4535% (0.97   0.02   0.02) =   0.035%
          HN    TRP   27 - HN    GLY   16  15.45 +/- 1.83   0.416% *  2.3934% (0.67   0.02   0.02) =   0.012%
          HE3   TRP   87 - HN    GLY   16  24.04 +/- 4.55   0.121% *  3.2165% (0.90   0.02   0.02) =   0.005%
          HN    ALA   91 - HN    GLY   16  27.97 +/- 3.30   0.067% *  3.3627% (0.94   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 17.7:
        T HN    GLY   16 - HN    GLN   17   2.42 +/- 0.13  99.732% * 99.8536% (1.00 10.00   3.69  17.66) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  22.99 +/- 2.91   0.141% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.13 +/- 4.57   0.128% *  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 = 5.98:
      O   HA    GLU-  15 - HN    GLY   16   2.57 +/- 0.28  76.766% * 75.0727% (0.47  10.0   2.05   5.39) =  95.189%  kept
          HA    GLN   17 - HN    GLY   16   4.90 +/- 0.10  11.934% * 24.3040% (0.97   1.0   3.18  17.66) =   4.791%  kept
          HA    SER   37 - HN    GLY   16  11.98 +/- 5.16   5.306% *  0.1529% (0.97   1.0   0.02   0.02) =   0.013%
          HA    SER   13 - HN    GLY   16   8.75 +/- 0.88   2.210% *  0.0751% (0.47   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    GLY   16  12.70 +/- 4.07   2.054% *  0.0476% (0.30   1.0   0.02   0.10) =   0.002%
          HA    VAL   42 - HN    GLY   16  15.12 +/- 3.88   0.680% *  0.1059% (0.67   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLY   16  17.66 +/- 3.44   0.662% *  0.0691% (0.44   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLY   16  21.97 +/- 3.22   0.150% *  0.1488% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  23.57 +/- 4.42   0.238% *  0.0238% (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 = 0.798, support = 0.02, residual support = 0.02:
          HA    VAL   18 - HN    GLY   16   6.62 +/- 0.22  44.721% * 12.6997% (0.90   0.02   0.02) =  53.960%  kept
          HA    VAL   70 - HN    GLY   16  10.00 +/- 3.83  23.823% *  6.1679% (0.44   0.02   0.02) =  13.961%  kept
          HA    GLU-  29 - HN    GLY   16  15.85 +/- 3.52   9.528% * 12.3380% (0.87   0.02   0.02) =  11.169%  kept
          HA    LYS+  33 - HN    GLY   16  13.49 +/- 3.91  10.699% * 10.5138% (0.75   0.02   0.02) =  10.687%  kept
          HA    GLN   32 - HN    GLY   16  15.78 +/- 3.75   5.299% *  9.4500% (0.67   0.02   0.02) =   4.757%  kept
          HA    SER   48 - HN    GLY   16  22.81 +/- 5.17   1.665% * 12.6997% (0.90   0.02   0.02) =   2.009%  kept
          HB2   SER   82 - HN    GLY   16  25.27 +/- 4.68   1.003% * 13.2768% (0.94   0.02   0.02) =   1.265%  kept
          HA    GLN  116 - HN    GLY   16  21.81 +/- 3.19   1.583% *  6.1679% (0.44   0.02   0.02) =   0.928%  kept
          HD2   PRO   52 - HN    GLY   16  25.51 +/- 3.70   1.057% *  6.6964% (0.47   0.02   0.02) =   0.673%  kept
          HA    ALA   88 - HN    GLY   16  28.69 +/- 3.75   0.621% *  9.9899% (0.71   0.02   0.02) =   0.590%  kept
    Distance limit 3.55 A violated in 20 structures by 2.67 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.975, support = 5.16, residual support = 82.6:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.02  51.621% * 95.6065% (0.99  10.0   5.27  85.28) =  96.901%  kept
          HA    GLU-  15 - HN    GLN   17   3.21 +/- 0.31  39.277% *  4.0037% (0.49   1.0   1.71   0.02) =   3.087%  kept
          HA    SER   37 - HN    GLN   17  13.41 +/- 4.75   3.412% *  0.0956% (0.99   1.0   0.02   0.02) =   0.006%
          HA    SER   13 - HN    GLN   17   8.78 +/- 1.28   3.104% *  0.0470% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   42 - HN    GLN   17  14.81 +/- 3.49   0.504% *  0.0663% (0.69   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLN   17  16.24 +/- 3.42   0.752% *  0.0432% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    GLN   17  13.34 +/- 3.37   0.799% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  20.51 +/- 3.45   0.171% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  22.12 +/- 4.24   0.361% *  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 = 85.3:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00  99.497% * 99.1229% (0.70  10.0 10.00   1.00  85.28) =  99.999%  kept
        T HE21  GLN   17 - HE22  GLN   32  23.42 +/- 3.48   0.057% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  32.79 +/- 7.77   0.143% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  22.80 +/- 5.60   0.073% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.09 +/- 4.35   0.073% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  30.88 +/- 6.25   0.057% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  22.66 +/- 3.86   0.072% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.38 +/- 4.60   0.028% *  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 = 85.3:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00  99.726% * 99.4952% (0.63  10.0   1.00  85.28) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  19.79 +/- 3.94   0.104% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  22.72 +/- 4.78   0.095% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.42 +/- 3.48   0.057% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  32.05 +/- 4.59   0.018% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.282, support = 3.34, residual support = 22.2:
      O   HA1   GLY   16 - HN    GLN   17   3.27 +/- 0.06  65.906% * 63.2256% (0.22  10.0   3.26  17.66) =  85.896%  kept
          HA    VAL   18 - HN    GLN   17   4.96 +/- 0.21  19.240% * 35.4020% (0.65   1.0   3.85  50.22) =  14.041%  kept
          HA    VAL   70 - HN    GLN   17  10.01 +/- 3.41   4.657% *  0.2834% (1.00   1.0   0.02   0.02) =   0.027%
          HB2   SER   37 - HN    GLN   17  11.42 +/- 4.63   5.497% *  0.1494% (0.53   1.0   0.02   0.02) =   0.017%
          HA    GLU-  29 - HN    GLN   17  16.07 +/- 3.33   2.554% *  0.1951% (0.69   1.0   0.02   0.02) =   0.010%
          HA    LYS+  33 - HN    GLN   17  14.46 +/- 3.40   1.207% *  0.2372% (0.84   1.0   0.02   0.02) =   0.006%
          HA    GLN  116 - HN    GLN   17  20.71 +/- 3.08   0.323% *  0.2834% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    GLN   17  24.59 +/- 4.44   0.183% *  0.1608% (0.57   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   17  21.22 +/- 5.56   0.432% *  0.0632% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 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 = 2.38, residual support = 5.45:
          HA    LEU   73 - HN    ILE   19   4.67 +/- 4.56 100.000% *100.0000% (0.87   2.38   5.45) = 100.000%  kept
    Distance limit 3.74 A violated in 5 structures by 1.83 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.58, residual support = 21.1:
      O   HA    VAL   18 - HN    ILE   19   2.21 +/- 0.04  90.730% * 93.2407% (0.65  10.0   4.58  21.16) =  99.869%  kept
          HA    VAL   70 - HN    ILE   19   9.72 +/- 2.36   1.709% *  6.1744% (1.00   1.0   0.86   0.02) =   0.125%  kept
          HB2   SER   37 - HN    ILE   19  11.93 +/- 3.79   3.810% *  0.0758% (0.53   1.0   0.02   0.02) =   0.003%
          HA    GLU-  29 - HN    ILE   19  13.00 +/- 1.78   0.726% *  0.0990% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    ILE   19  13.31 +/- 2.00   0.502% *  0.1204% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    ILE   19   8.25 +/- 0.45   1.800% *  0.0321% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ILE   19  18.74 +/- 2.91   0.188% *  0.1438% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.89 +/- 4.74   0.162% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.24 +/- 5.01   0.372% *  0.0321% (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 = 5.82, residual support = 126.2:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.03  95.998% * 99.7071% (0.87  10.0   5.82 126.21) =  99.997%  kept
          HA    THR   26 - HN    ILE   19  11.13 +/- 1.41   2.136% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HA    GLU-  25 - HN    ILE   19  14.36 +/- 1.11   0.838% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ILE   19  18.31 +/- 2.77   0.499% *  0.1147% (1.00   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ILE   19  22.57 +/- 2.75   0.240% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  21.33 +/- 4.51   0.288% *  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 = 5.09, residual support = 20.1:
      O   HA    ILE   19 - HN    ALA   20   2.28 +/- 0.10  95.699% * 99.7374% (0.97  10.0   5.09  20.06) =  99.998%  kept
          HA    THR   26 - HN    ALA   20  10.01 +/- 1.96   2.828% *  0.0388% (0.38   1.0   0.02   0.12) =   0.001%
          HA    GLU-  25 - HN    ALA   20  13.19 +/- 1.64   0.694% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    ALA   20  18.77 +/- 4.19   0.518% *  0.1013% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    ALA   20  20.77 +/- 4.18   0.157% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.51 +/- 3.69   0.104% *  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 = 3.01, residual support = 14.8:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.04  96.315% * 99.9455% (0.97  10.0   3.01  14.84) =  99.998%  kept
          HA    LEU   71 - HN    ALA   20  10.09 +/- 2.17   3.685% *  0.0545% (0.53   1.0   0.02   0.02) =   0.002%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.75, residual support = 8.0:
        T HN    LYS+  74 - HN    CYS   21   4.57 +/- 3.08  62.079% * 99.2410% (0.76 10.00   3.76   8.01) =  99.916%  kept
        T HN    LYS+  74 - HN    ILE  119  17.74 +/- 3.18  11.869% *  0.3136% (0.24 10.00   0.02   0.02) =   0.060%
          HN    THR   46 - HN    CYS   21  12.82 +/- 2.94   5.675% *  0.1299% (1.00  1.00   0.02   0.02) =   0.012%
          HN    MET   11 - HN    CYS   21  17.71 +/- 4.95   3.225% *  0.0534% (0.41  1.00   0.02   0.02) =   0.003%
          HN    THR   46 - HN    ILE  119  15.59 +/- 1.43   3.976% *  0.0410% (0.32  1.00   0.02   0.02) =   0.003%
          HN    MET   92 - HN    CYS   21  19.42 +/- 3.21   1.089% *  0.1228% (0.95  1.00   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HN    ILE  119  11.14 +/- 0.81   7.507% *  0.0102% (0.08  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HN    CYS   21  21.90 +/- 3.26   2.160% *  0.0324% (0.25  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE  119  18.33 +/- 1.97   1.743% *  0.0388% (0.30  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    ILE  119  31.57 +/- 3.89   0.678% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 4 structures by 1.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 16.0:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.02  97.839% * 99.8901% (0.95  10.0   3.44  16.05) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.80 +/- 1.42   1.019% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  19.93 +/- 3.64   0.235% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.26 +/- 3.13   0.160% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.04 +/- 4.52   0.585% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  20.27 +/- 3.37   0.162% *  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   2.75 +/- 0.05  98.346% * 99.8043% (0.83  10.0   3.83  41.01) =  99.999%  kept
          HA    SER  117 - HN    ASP-  62  12.84 +/- 1.14   1.058% *  0.0751% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    ASP-  62  18.77 +/- 2.50   0.431% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  23.76 +/- 2.15   0.165% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.522, support = 1.5, residual support = 6.29:
          HA    PHE   59 - HN    ASP-  62   3.83 +/- 0.46  82.411% * 92.4913% (0.52   1.50   6.31) =  99.689%  kept
          HA    ILE   56 - HN    ASP-  62   8.87 +/- 1.07   8.789% *  1.2332% (0.52   0.02   0.02) =   0.142%  kept
          HA    ASP- 113 - HN    ASP-  62  12.32 +/- 1.33   3.154% *  2.0287% (0.86   0.02   0.02) =   0.084%
          HA    LYS+  99 - HN    ASP-  62  17.89 +/- 3.50   2.011% *  1.6281% (0.69   0.02   0.02) =   0.043%
          HA    LEU  123 - HN    ASP-  62  13.62 +/- 1.60   2.390% *  0.9897% (0.42   0.02   0.02) =   0.031%
          HA    ASN   35 - HN    ASP-  62  21.82 +/- 2.40   0.530% *  1.3153% (0.56   0.02   0.02) =   0.009%
          HA    TRP   87 - HN    ASP-  62  21.26 +/- 3.99   0.713% *  0.3137% (0.13   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 0 structures by 0.11 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 3.34, residual support = 21.6:
          HN    THR   23 - HN    HIS   22   3.38 +/- 0.71  88.589% * 97.2807% (0.69   3.34  21.57) =  99.915%  kept
          HE3   TRP   27 - HN    HIS   22   8.57 +/- 1.36   5.980% *  0.8465% (1.00   0.02   0.02) =   0.059%
          QD    PHE   55 - HN    HIS   22  20.61 +/- 4.64   1.126% *  0.8465% (1.00   0.02   0.02) =   0.011%
          QE    PHE   95 - HN    HIS   22  17.21 +/- 2.71   1.148% *  0.6160% (0.73   0.02   0.02) =   0.008%
          HN    LYS+  81 - HN    HIS   22  14.17 +/- 4.80   2.025% *  0.1486% (0.18   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    HIS   22  16.15 +/- 2.24   1.132% *  0.2618% (0.31   0.02   0.02) =   0.003%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.335, residual support = 5.53:
          HA    ALA   20 - HN    HIS   22   4.87 +/- 0.14  94.148% * 96.5684% (0.95   0.34   5.53) =  99.903%  kept
          HA    LEU   71 - HN    HIS   22  13.64 +/- 1.14   4.617% *  1.3552% (0.22   0.02   0.02) =   0.069%
          HA    LYS+ 102 - HN    HIS   22  22.60 +/- 3.24   1.236% *  2.0764% (0.34   0.02   0.02) =   0.028%
    Distance limit 3.96 A violated in 0 structures by 0.91 A, kept.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.7, residual support = 13.0:
        T HN    THR   26 - HN    THR   23   4.55 +/- 0.10  75.131% * 97.5401% (0.69 10.00   3.72  13.04) =  99.347%  kept
          HN    LEU   80 - HN    THR   23   9.82 +/- 5.19  20.448% *  2.3441% (0.34  1.00   0.97   1.78) =   0.650%  kept
          HN    CYS   53 - HN    THR   23  19.92 +/- 4.36   1.601% *  0.0804% (0.57  1.00   0.02   0.02) =   0.002%
          HN    ALA   34 - HN    THR   23  13.81 +/- 0.81   2.819% *  0.0354% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.08 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.34, residual support = 21.6:
        T HN    HIS   22 - HN    THR   23   3.38 +/- 0.71  82.805% * 99.9047% (0.99 10.00   3.34  21.57) =  99.980%  kept
          HN    ASP-  76 - HN    THR   23   8.61 +/- 4.12  17.195% *  0.0953% (0.95  1.00   0.02   0.02) =   0.020%
    Distance limit 3.56 A violated in 0 structures by 0.11 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 7.41, residual support = 32.9:
        T HN    GLU-  25 - HN    VAL   24   2.82 +/- 0.15  88.617% * 95.3473% (0.98 10.00   7.44  33.00) =  99.460%  kept
          HN    ASN   28 - HN    VAL   24   5.90 +/- 0.22  10.049% *  4.5562% (0.41  1.00   2.28  14.66) =   0.539%  kept
          HN    ASP-  44 - HN    VAL   24  12.75 +/- 2.48   1.334% *  0.0964% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.44, residual support = 33.0:
        T HN    VAL   24 - HN    GLU-  25   2.82 +/- 0.15 100.000% *100.0000% (1.00 10.00   7.44  33.00) = 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 = 32.2:
        T HN    THR   26 - HN    GLU-  25   2.82 +/- 0.08  99.601% * 99.9840% (0.97 10.00   5.45  32.18) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.14 +/- 1.39   0.399% *  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 = 0.966, support = 5.4, residual support = 31.4:
        T HN    GLU-  25 - HN    THR   26   2.82 +/- 0.08  72.331% * 93.3757% (0.98 10.00   5.45  32.18) =  97.463%  kept
          HN    ASN   28 - HN    THR   26   3.94 +/- 0.17  26.909% *  6.5299% (0.41  1.00   3.33   0.48) =   2.536%  kept
          HN    ASP-  44 - HN    THR   26  13.95 +/- 2.72   0.759% *  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 = 22.6:
          HN    TRP   27 - HN    THR   26   2.46 +/- 0.08  97.625% * 98.4535% (0.99   4.45  22.65) =  99.995%  kept
          HD1   TRP   87 - HN    THR   26  16.11 +/- 4.55   0.535% *  0.2707% (0.61   0.02   0.02) =   0.002%
          HN    THR   39 - HN    THR   26  16.50 +/- 0.93   0.338% *  0.2888% (0.65   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    THR   26  19.09 +/- 2.52   0.263% *  0.3066% (0.69   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR   26  18.68 +/- 4.63   0.427% *  0.1675% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR   26  21.45 +/- 3.51   0.174% *  0.3411% (0.76   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    THR   26  15.16 +/- 0.70   0.431% *  0.1113% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  21.12 +/- 3.94   0.207% *  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 = 0.921, support = 3.65, residual support = 13.7:
          HN    THR   23 - HN    THR   26   4.55 +/- 0.10  65.804% * 66.8379% (0.97   3.72  13.04) =  90.875%  kept
          HE3   TRP   27 - HN    THR   26   7.71 +/- 0.20  13.717% * 29.2672% (0.49   3.23  22.65) =   8.295%  kept
          HD2   HIS   22 - HN    THR   26   8.37 +/- 1.33  14.337% *  2.7115% (0.45   0.32   0.02) =   0.803%  kept
          QE    PHE   95 - HN    THR   26  18.94 +/- 2.63   1.152% *  0.3524% (0.95   0.02   0.02) =   0.008%
          HN    LEU   67 - HN    THR   26  18.85 +/- 2.16   1.112% *  0.3439% (0.92   0.02   0.02) =   0.008%
          HD1   TRP   49 - HN    THR   26  22.01 +/- 5.43   1.401% *  0.2259% (0.61   0.02   0.02) =   0.007%
          QD    PHE   55 - HN    THR   26  23.73 +/- 3.73   0.636% *  0.2109% (0.57   0.02   0.02) =   0.003%
          HD21  ASN   35 - HN    THR   26  15.49 +/- 1.43   1.842% *  0.0504% (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 = 0.868, support = 4.42, residual support = 59.2:
          HE3   TRP   27 - HN    TRP   27   5.29 +/- 0.19  29.415% * 70.6144% (1.00   5.33 100.77) =  58.179%  kept
          HN    THR   23 - HN    TRP   27   4.34 +/- 0.30  52.045% * 28.6720% (0.69   3.15   1.28) =  41.796%  kept
          QE    PHE   95 - HN    TRP   27  17.09 +/- 2.48   1.100% *  0.1927% (0.73   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    TRP   27  12.60 +/- 5.08   3.687% *  0.0465% (0.18   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    TRP   27  22.24 +/- 3.30   0.503% *  0.2648% (1.00   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    ALA   91  10.00 +/- 1.10   5.218% *  0.0238% (0.09   0.02   0.02) =   0.003%
          HN    LEU   67 - HN    TRP   27  16.86 +/- 1.96   1.065% *  0.0819% (0.31   0.02   0.02) =   0.002%
          QD    PHE   55 - HN    ALA   91  16.24 +/- 3.66   2.315% *  0.0327% (0.12   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    ALA   91  17.65 +/- 2.79   0.911% *  0.0327% (0.12   0.02   0.02) =   0.001%
          HN    THR   23 - HN    ALA   91  19.53 +/- 3.28   0.688% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.50 +/- 1.34   2.534% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  21.44 +/- 2.42   0.521% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.10 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 22.6:
        T HN    THR   26 - HN    TRP   27   2.46 +/- 0.08  99.127% * 99.8587% (0.97 10.00   4.45  22.65) = 100.000%  kept
        T HN    THR   26 - HN    ALA   91  21.45 +/- 3.51   0.177% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    TRP   27  14.42 +/- 1.11   0.526% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  21.69 +/- 2.23   0.169% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.5:
        T HN    GLN   90 - HN    ALA   91   2.11 +/- 0.36  91.288% * 91.0962% (0.12 10.00   6.75  32.52) =  99.972%  kept
        T HN    GLN   90 - HN    TRP   27  18.93 +/- 3.73   0.218% *  7.3725% (0.95 10.00   0.02   0.02) =   0.019%
          HN    GLY  109 - HN    ALA   91   9.61 +/- 3.24   6.388% *  0.0507% (0.07  1.00   0.02   0.02) =   0.004%
          HN    ILE  103 - HN    TRP   27  18.41 +/- 3.81   0.252% *  0.7794% (1.00  1.00   0.02   0.02) =   0.002%
          HN    SER   82 - HN    TRP   27  12.88 +/- 5.44   0.964% *  0.1735% (0.22  1.00   0.02   0.02) =   0.002%
          HN    GLY  109 - HN    TRP   27  23.89 +/- 2.55   0.094% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.39 +/- 1.75   0.175% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.77 +/- 1.19   0.621% *  0.0214% (0.03  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 = 4.9, residual support = 46.4:
        T HN    ASN   28 - HN    TRP   27   2.69 +/- 0.12  75.719% * 94.7344% (0.99 10.00   4.93  47.09) =  98.538%  kept
          HN    GLU-  25 - HN    TRP   27   4.16 +/- 0.21  21.060% *  5.0477% (0.38  1.00   2.81   0.66) =   1.460%  kept
          HN    ASP-  44 - HN    TRP   27  11.75 +/- 2.74   1.225% *  0.0393% (0.41  1.00   0.02   0.02) =   0.001%
        T HN    ASN   28 - HN    ALA   91  19.94 +/- 3.33   0.223% *  0.1171% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  17.99 +/- 2.86   0.472% *  0.0465% (0.49  1.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.59 +/- 1.36   0.965% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  20.24 +/- 3.76   0.223% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  23.77 +/- 1.23   0.113% *  0.0057% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 100.8:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  97.467% * 99.6382% (0.76  10.0   1.97 100.77) =  99.997%  kept
          HE21  GLN   30 - HE1   TRP   27  10.51 +/- 1.13   1.790% *  0.1311% (0.99   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HE1   TRP   27  16.49 +/- 2.41   0.518% *  0.1011% (0.76   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HE1   TRP   27  22.43 +/- 3.77   0.225% *  0.1296% (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 = 1.44, residual support = 100.8:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  98.724% * 99.8496% (0.45  10.0   1.44 100.77) =  99.998%  kept
          HZ    PHE   72 - HE1   TRP   27  13.18 +/- 1.81   1.276% *  0.1504% (0.49   1.0   0.02   0.35) =   0.002%
    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 = 0.935, support = 4.76, residual support = 28.9:
          HN    GLU-  29 - HN    ASN   28   2.81 +/- 0.12  67.701% * 55.7931% (0.98   4.83  32.17) =  75.153%  kept
          HN    GLN   30 - HN    ASN   28   3.76 +/- 0.19  28.989% * 43.0180% (0.80   4.56  18.90) =  24.811%  kept
          HN    GLU-  14 - HN    ASN   28  17.49 +/- 4.19   1.724% *  0.9208% (0.22   0.35   0.02) =   0.032%
          HN    ASP-  86 - HN    ASN   28  14.42 +/- 5.05   0.808% *  0.2044% (0.87   0.02   0.02) =   0.003%
          HN    VAL   18 - HN    ASN   28  15.29 +/- 1.58   0.491% *  0.0319% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  21.29 +/- 4.55   0.287% *  0.0319% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.93, residual support = 47.1:
          HN    TRP   27 - HN    ASN   28   2.69 +/- 0.12  95.049% * 98.6021% (0.99   4.93  47.09) =  99.990%  kept
          HD1   TRP   87 - HN    ASN   28  13.76 +/- 4.58   1.156% *  0.2447% (0.61   0.02   0.02) =   0.003%
          HN    THR   39 - HN    ASN   28  14.03 +/- 0.64   0.701% *  0.2610% (0.65   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    ASN   28  15.76 +/- 4.91   0.974% *  0.1514% (0.38   0.02   0.02) =   0.002%
          HN    ALA   61 - HN    ASN   28  18.42 +/- 2.17   0.373% *  0.2772% (0.69   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    ASN   28  12.72 +/- 0.39   0.930% *  0.1006% (0.25   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   28  19.94 +/- 3.33   0.280% *  0.3084% (0.76   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    ASN   28  17.52 +/- 4.17   0.537% *  0.0546% (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 = 0.416, support = 5.0, residual support = 46.7:
          HD1   TRP   27 - HN    ASN   28   2.97 +/- 0.41  93.623% * 79.2824% (0.41   5.06  47.09) =  98.522%  kept
          HE21  GLN   30 - HN    ASN   28   8.22 +/- 0.88   5.636% * 19.7015% (0.76   0.68  18.90) =   1.474%  kept
          QD    PHE   59 - HN    ASN   28  18.66 +/- 2.50   0.535% *  0.3131% (0.41   0.02   0.02) =   0.002%
          HH2   TRP   49 - HN    ASN   28  24.88 +/- 4.10   0.206% *  0.7030% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.58, residual support = 94.5:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.646% * 99.9543% (0.98  10.0   2.58  94.53) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.28 +/- 1.61   0.354% *  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 = 0.996, support = 1.37, residual support = 3.99:
          HA    GLU-  25 - HD21  ASN   28   4.66 +/- 0.11  82.148% * 96.8394% (1.00   1.37   3.99) =  99.792%  kept
          HA    SER   82 - HD21  ASN   28  11.45 +/- 5.43  12.747% *  0.7995% (0.57   0.02   0.02) =   0.128%  kept
          HA    ILE   19 - HD21  ASN   28  13.94 +/- 1.39   3.801% *  1.3358% (0.95   0.02   0.02) =   0.064%
          HA    CYS   53 - HD21  ASN   28  22.01 +/- 3.74   1.305% *  1.0254% (0.73   0.02   0.02) =   0.017%
    Distance limit 4.42 A violated in 0 structures by 0.22 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.826, support = 5.6, residual support = 90.0:
      O   HA    ASN   28 - HN    ASN   28   2.74 +/- 0.05  74.728% * 85.4330% (0.84  10.0   5.67  94.53) =  95.183%  kept
          HA    THR   26 - HN    ASN   28   4.15 +/- 0.29  22.856% * 14.1264% (0.65   1.0   4.27   0.48) =   4.814%  kept
          HA    ALA   34 - HN    ASN   28  11.30 +/- 0.57   1.100% *  0.0987% (0.97   1.0   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ASN   28  16.60 +/- 5.33   0.762% *  0.1021% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASN   28  22.75 +/- 2.25   0.145% *  0.0887% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.33 +/- 2.28   0.092% *  0.0968% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  22.87 +/- 3.49   0.196% *  0.0316% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  29.95 +/- 5.47   0.121% *  0.0228% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.894, support = 4.74, residual support = 93.6:
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.04  52.156% * 90.4766% (0.97  10.0   4.94 100.77) =  91.835%  kept
      O   HA    ALA   91 - HN    ALA   91   2.90 +/- 0.02  45.229% *  9.2758% (0.10  10.0   2.45  12.87) =   8.165%  kept
          HA    ALA   91 - HN    TRP   27  20.78 +/- 3.63   0.163% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.22 +/- 3.77   0.106% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.37 +/- 1.00   0.101% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  12.64 +/- 1.59   0.654% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  16.90 +/- 3.75   0.487% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  12.73 +/- 2.98   0.848% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.92 +/- 3.04   0.162% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  25.23 +/- 3.02   0.093% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.45, residual support = 22.6:
          HB    THR   26 - HN    TRP   27   2.83 +/- 0.18  95.578% * 99.0045% (0.99   4.45  22.65) =  99.994%  kept
          HA    ASP-  62 - HN    TRP   27  18.04 +/- 2.62   0.757% *  0.4329% (0.97   0.02   0.02) =   0.003%
          HA    SER   82 - HN    TRP   27  14.74 +/- 5.31   1.110% *  0.0786% (0.18   0.02   0.02) =   0.001%
          HA    SER  117 - HN    TRP   27  26.75 +/- 3.37   0.170% *  0.3257% (0.73   0.02   0.02) =   0.001%
          HA    ASP-  62 - HN    ALA   91  20.56 +/- 4.49   0.520% *  0.0535% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.48 +/- 1.32   1.326% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  22.03 +/- 3.43   0.233% *  0.0549% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  20.18 +/- 1.63   0.306% *  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  23.53 +/- 1.30 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.45 A violated in 20 structures by 19.09 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.353, support = 4.67, residual support = 33.5:
      O   HB    THR   26 - HN    THR   26   2.24 +/- 0.15  78.350% * 21.3631% (0.15  10.0   4.16  34.69) =  51.856%  kept
      O   HA    GLU-  25 - HN    THR   26   3.59 +/- 0.03  19.823% * 78.3875% (0.57  10.0   5.22  32.18) =  48.140%  kept
          HA    SER   82 - HN    THR   26  15.40 +/- 5.66   0.446% *  0.1381% (1.00   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    THR   26  11.13 +/- 1.56   1.083% *  0.0472% (0.34   1.0   0.02   0.02) =   0.002%
          HA    ASP-  62 - HN    THR   26  19.90 +/- 2.82   0.195% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  23.11 +/- 4.29   0.104% *  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 = 0.839, support = 2.68, residual support = 5.94:
          HA    THR   23 - HN    GLU-  25   3.89 +/- 0.36  45.232% * 67.3758% (0.98   2.79   5.94) =  68.935%  kept
          HB    THR   23 - HN    GLU-  25   3.98 +/- 0.54  43.219% * 31.6830% (0.53   2.45   5.94) =  30.974%  kept
          HA    LEU   80 - HN    GLU-  25  10.04 +/- 5.84  10.040% *  0.3383% (0.69   0.02   0.02) =   0.077%
          HA    ASP-  78 - HN    GLU-  25  14.39 +/- 3.60   1.291% *  0.4659% (0.95   0.02   0.02) =   0.014%
          HA    ASP- 105 - HN    GLU-  25  23.75 +/- 1.51   0.218% *  0.1369% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.06 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.85, residual support = 127.4:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.03  96.887% * 99.7793% (0.87  10.0   5.85 127.42) =  99.997%  kept
          HA    SER   82 - HN    GLU-  25  13.43 +/- 6.05   1.755% *  0.1032% (0.90   1.0   0.02   0.02) =   0.002%
          HA    ILE   19 - HN    GLU-  25  13.37 +/- 1.42   1.075% *  0.0744% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLU-  25  23.16 +/- 4.71   0.283% *  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 = 0.718, support = 4.42, residual support = 17.2:
      O   HA    THR   23 - HN    VAL   24   2.28 +/- 0.11  73.352% * 91.0815% (0.73  10.0   4.42  17.18) =  98.276%  kept
          HB    THR   23 - HN    VAL   24   4.05 +/- 0.29  13.806% *  7.1710% (0.22   1.0   5.14  17.18) =   1.456%  kept
          HA    LEU   80 - HN    VAL   24   8.18 +/- 6.02  11.279% *  1.6045% (0.34   1.0   0.75   7.02) =   0.266%  kept
          HA    ASP-  78 - HN    VAL   24  12.28 +/- 3.88   0.804% *  0.1210% (0.97   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    VAL   24  13.15 +/- 3.17   0.759% *  0.0220% (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 = 3.08, residual support = 18.6:
      O   HA    THR   23 - HN    THR   23   2.70 +/- 0.23  67.548% * 36.5476% (0.61  10.0   3.04  18.60) =  59.226%  kept
      O   HB    THR   23 - HN    THR   23   3.65 +/- 0.22  28.086% * 60.1231% (1.00  10.0   3.16  18.60) =  40.512%  kept
          HA    LEU   80 - HN    THR   23  10.18 +/- 5.56   3.353% *  3.2550% (0.95   1.0   1.14   1.78) =   0.262%  kept
          HA    ASP-  78 - HN    THR   23  13.20 +/- 3.95   0.895% *  0.0186% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.94 +/- 1.00   0.118% *  0.0556% (0.92   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 = 0.735, support = 0.02, residual support = 0.159:
          HA    ALA   20 - HN    THR   23   5.84 +/- 0.37  92.884% * 46.5057% (0.73   0.02   0.17) =  91.901%  kept
          HA    LEU   71 - HN    THR   23  14.21 +/- 1.07   7.116% * 53.4943% (0.84   0.02   0.02) =   8.099%  kept
    Distance limit 3.99 A violated in 17 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.18, residual support = 13.0:
          HB    THR   26 - HN    THR   23   3.82 +/- 0.17  93.726% * 98.2988% (0.99   2.18  13.04) =  99.959%  kept
          HA    ASP-  62 - HN    THR   23  17.09 +/- 2.98   3.496% *  0.8797% (0.97   0.02   0.02) =   0.033%
          HA    SER   82 - HN    THR   23  15.28 +/- 5.30   2.297% *  0.1596% (0.18   0.02   0.02) =   0.004%
          HA    SER  117 - HN    THR   23  26.57 +/- 3.93   0.481% *  0.6619% (0.73   0.02   0.02) =   0.003%
    Distance limit 3.72 A violated in 0 structures by 0.13 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.58, residual support = 94.5:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  97.154% * 99.7763% (0.98  10.0   2.58  94.53) =  99.997%  kept
          HZ2   TRP   87 - HD22  ASN   28  10.18 +/- 5.89   2.412% *  0.1009% (0.99   1.0   0.02   0.02) =   0.003%
          QE    PHE   60 - HD22  ASN   28  14.80 +/- 2.84   0.233% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  18.01 +/- 2.57   0.149% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.00 +/- 2.85   0.051% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.83, residual support = 32.1:
        T HN    ASN   28 - HN    GLU-  29   2.81 +/- 0.12  90.177% * 99.0402% (0.76 10.00   4.83  32.17) =  99.921%  kept
          HN    GLU-  25 - HN    GLU-  29   6.28 +/- 0.30   8.360% *  0.8351% (0.73  1.00   0.18   0.02) =   0.078%
          HN    ASP-  44 - HN    GLU-  29  14.22 +/- 2.47   0.850% *  0.0990% (0.76  1.00   0.02   0.02) =   0.001%
          HN    ASN   69 - HN    GLU-  29  19.11 +/- 3.10   0.612% *  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 = 51.7:
        T HN    LEU   31 - HN    GLN   30   2.52 +/- 0.08  96.987% * 98.4622% (0.73 10.00   7.25  51.69) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   30  25.12 +/- 2.57   0.114% *  1.3086% (0.97 10.00   0.02   0.02) =   0.002%
          HN    ASP-  62 - HN    GLN   30  18.95 +/- 2.07   0.265% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  18.78 +/- 3.82   0.294% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  13.23 +/- 3.02   0.908% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.45 +/- 2.67   0.126% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.61 +/- 3.53   0.674% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  16.67 +/- 1.59   0.361% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.63 +/- 2.81   0.134% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  24.90 +/- 3.12   0.136% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 44.7:
        T HN    LEU   31 - HN    GLN   32   2.60 +/- 0.19  96.980% * 99.0995% (0.98 10.00   5.85  44.66) =  99.998%  kept
        T HN    PHE   55 - HN    GLN   32  27.21 +/- 2.20   0.098% *  0.6945% (0.69 10.00   0.02   0.02) =   0.001%
          HN    LYS+  38 - HN    GLN   32   9.22 +/- 0.40   2.278% *  0.0225% (0.22  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    GLN   32  20.84 +/- 2.21   0.232% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  26.72 +/- 2.47   0.109% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  18.95 +/- 3.80   0.303% *  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 = 44.7:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00  99.857% * 99.4510% (0.87  10.0   1.00  44.70) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  22.87 +/- 3.31   0.059% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  28.53 +/- 4.09   0.026% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  27.12 +/- 4.98   0.041% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  33.12 +/- 3.99   0.017% *  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 = 44.7:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  98.018% * 98.9152% (0.83  10.0 10.00   1.00  44.70) =  99.999%  kept
          HN    ALA   84 - HE22  GLN   90  10.90 +/- 2.31   0.688% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  17.66 +/- 4.59   0.294% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  20.24 +/- 4.90   0.086% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  28.53 +/- 4.09   0.026% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  22.87 +/- 3.31   0.058% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.99 +/- 2.63   0.509% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  25.27 +/- 2.09   0.034% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  22.29 +/- 4.27   0.064% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  32.94 +/- 2.56   0.015% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.30 +/- 2.14   0.017% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  23.92 +/- 3.33   0.044% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  21.00 +/- 3.40   0.080% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  25.60 +/- 4.73   0.038% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  27.87 +/- 3.78   0.029% *  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 = 5.74, residual support = 50.4:
          HN    GLU-  36 - HN    ASN   35   2.43 +/- 0.12  88.621% * 75.8661% (0.90   5.87  51.98) =  96.935%  kept
          HN    THR   39 - HN    ASN   35   5.30 +/- 0.59   9.037% * 23.4795% (0.97   1.69   0.02) =   3.059%  kept
          HN    LYS+ 102 - HN    ASN   35  12.05 +/- 3.77   1.350% *  0.2092% (0.73   0.02   0.02) =   0.004%
          HN    TRP   27 - HN    ASN   35  12.58 +/- 0.56   0.697% *  0.1184% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    ASN   35  18.90 +/- 2.97   0.217% *  0.2824% (0.98   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    ASN   35  25.82 +/- 1.85   0.078% *  0.0444% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 54.6:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  54.57) = 100.000%  kept
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 54.6:
      O   HA    ASN   35 - HN    ASN   35   2.81 +/- 0.05  90.595% * 99.5029% (0.98  10.0   4.55  54.57) =  99.994%  kept
          HA    LYS+  99 - HN    ASN   35  10.57 +/- 2.44   2.529% *  0.0910% (0.90   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    ASN   35   8.51 +/- 1.01   3.662% *  0.0494% (0.49   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ASN   35  13.85 +/- 4.30   1.514% *  0.0313% (0.31   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASN   35  25.08 +/- 7.07   0.426% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.47 +/- 4.52   0.890% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.43 +/- 2.21   0.104% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  23.59 +/- 3.03   0.186% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  28.75 +/- 2.74   0.093% *  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 = 2.4, residual support = 159.2:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.474% * 99.6989% (0.90  10.0   2.40 159.18) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   8.17 +/- 1.22   1.227% *  0.1102% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE22  GLN   30  16.46 +/- 2.58   0.231% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  24.00 +/- 4.53   0.068% *  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 = 2.4, residual support = 159.2:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.660% * 99.8775% (0.92  10.0 10.00   2.40 159.18) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.09 +/- 2.38   0.269% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  21.82 +/- 3.33   0.071% *  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 = 0.538, support = 0.02, residual support = 0.02:
          HA    VAL   42 - HN    GLN   30  12.26 +/- 2.55  18.301% *  6.4793% (0.25   0.02   0.02) =  34.278%  kept
          HA    GLN   90 - HN    GLN   30  21.06 +/- 3.71   3.215% * 25.0767% (0.97   0.02   0.02) =  23.306%  kept
          HA    ALA  110 - HN    GLN   30  27.18 +/- 2.67   1.452% * 25.9267% (1.00   0.02   0.02) =  10.883%  kept
          HA    PHE   55 - HN    GLN   30  26.06 +/- 2.93   1.664% * 21.7040% (0.84   0.02   0.02) =  10.442%  kept
          HA    VAL   42 - HN    LYS+  99   7.67 +/- 0.89  52.030% *  0.4257% (0.02   0.02   0.02) =   6.403%  kept
          HA    VAL  107 - HN    GLN   30  22.57 +/- 1.02   2.215% *  8.8635% (0.34   0.02   0.02) =   5.676%  kept
          HA    ALA   91 - HN    GLN   30  23.25 +/- 3.03   2.254% *  5.7850% (0.22   0.02   0.02) =   3.769%  kept
          HA    VAL  107 - HN    LYS+  99  14.02 +/- 0.39   9.220% *  0.5823% (0.02   0.02   0.02) =   1.552%  kept
          HA    ALA  110 - HN    LYS+  99  21.57 +/- 1.69   2.722% *  1.7034% (0.07   0.02   0.02) =   1.341%  kept
          HA    GLN   90 - HN    LYS+  99  20.78 +/- 0.99   2.794% *  1.6475% (0.06   0.02   0.02) =   1.331%  kept
          HA    PHE   55 - HN    LYS+  99  25.11 +/- 3.34   1.876% *  1.4259% (0.05   0.02   0.02) =   0.773%  kept
          HA    ALA   91 - HN    LYS+  99  22.21 +/- 0.76   2.257% *  0.3801% (0.01   0.02   0.02) =   0.248%  kept
    Distance limit 4.33 A violated in 20 structures by 3.10 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.783, support = 4.72, residual support = 37.1:
          HN    ALA   34 - HN    LYS+  33   2.44 +/- 0.15  56.560% * 79.1683% (0.90   4.60  41.26) =  83.783%  kept
          HN    GLN   32 - HN    LYS+  33   2.69 +/- 0.15  43.153% * 20.0815% (0.20   5.29  15.56) =  16.215%  kept
          HN    LEU   80 - HN    LYS+  33  17.28 +/- 3.76   0.244% *  0.3701% (0.97   0.02   0.02) =   0.002%
          HN    CYS   53 - HN    LYS+  33  27.45 +/- 2.39   0.042% *  0.3801% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 54.6:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00  99.700% * 99.5403% (0.73  10.0   2.00  54.57) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  21.49 +/- 2.64   0.061% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  20.93 +/- 2.70   0.077% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.29 +/- 2.14   0.084% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  30.76 +/- 3.46   0.021% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  22.24 +/- 2.91   0.057% *  0.0423% (0.31   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 = 52.0:
        T HN    ASN   35 - HN    GLU-  36   2.43 +/- 0.12  98.839% * 99.7986% (0.99 10.00   5.87  51.98) =  99.999%  kept
        T HN    LYS+  99 - HN    GLU-  36  13.44 +/- 2.06   0.685% *  0.1363% (0.14 10.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLU-  36  19.00 +/- 5.38   0.477% *  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 = 0.445, support = 3.94, residual support = 11.5:
          HN    GLU-  36 - HN    SER   37   2.55 +/- 0.11  67.662% * 31.3080% (0.25   4.33  18.60) =  50.753%  kept
          HN    THR   39 - HN    SER   37   3.37 +/- 0.27  30.844% * 66.6265% (0.65   3.55   4.21) =  49.236%  kept
          HN    TRP   27 - HN    SER   37  14.70 +/- 0.90   0.365% *  0.5751% (0.99   0.02   0.02) =   0.005%
          HN    ALA   61 - HN    SER   37  21.35 +/- 2.87   0.142% *  0.3986% (0.69   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HN    SER   37  13.35 +/- 2.60   0.647% *  0.0785% (0.14   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    SER   37  21.20 +/- 2.33   0.126% *  0.3520% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    SER   37  20.44 +/- 3.56   0.158% *  0.2178% (0.38   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    SER   37  27.89 +/- 1.52   0.054% *  0.4435% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.915, support = 5.07, residual support = 22.1:
          HN    THR   39 - HN    LYS+  38   2.65 +/- 0.14  70.957% * 80.5517% (0.95   5.33  23.91) =  91.935%  kept
          HN    GLU-  36 - HN    LYS+  38   3.67 +/- 0.12  27.077% * 18.5065% (0.57   2.05   1.77) =   8.060%  kept
          HN    LYS+ 102 - HN    LYS+  38  12.15 +/- 2.35   0.956% *  0.1198% (0.38   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    LYS+  38  15.62 +/- 0.79   0.373% *  0.2440% (0.76   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    LYS+  38  21.00 +/- 2.31   0.161% *  0.2947% (0.92   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    LYS+  38  21.18 +/- 3.01   0.209% *  0.1089% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.64 +/- 1.54   0.069% *  0.1312% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  19.92 +/- 3.51   0.198% *  0.0432% (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 = 49.9:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.03  64.825% * 83.1256% (0.38  10.0   4.70  51.98) =  93.847%  kept
          HA    SER   37 - HN    GLU-  36   5.10 +/- 0.11  22.549% * 15.5749% (0.38   1.0   3.75  18.60) =   6.116%  kept
          HA    LEU   40 - HN    GLU-  36   9.79 +/- 0.63   3.293% *  0.2215% (1.00   1.0   0.02   0.02) =   0.013%
          HA    GLU-  15 - HN    GLU-  36  13.72 +/- 4.74   2.959% *  0.2095% (0.95   1.0   0.02   0.02) =   0.011%
          HA    SER   13 - HN    GLU-  36  16.90 +/- 4.80   1.890% *  0.2095% (0.95   1.0   0.02   0.02) =   0.007%
          HA    LYS+  99 - HN    GLU-  36  11.98 +/- 2.08   2.194% *  0.0552% (0.25   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HN    GLU-  36  16.54 +/- 3.29   1.266% *  0.0831% (0.38   1.0   0.02   0.02) =   0.002%
          HA    LEU  123 - HN    GLU-  36  26.10 +/- 7.16   0.466% *  0.1165% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    GLU-  36  24.95 +/- 3.12   0.231% *  0.2137% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    GLU-  36  25.25 +/- 1.53   0.194% *  0.0993% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.99 +/- 2.42   0.132% *  0.0911% (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 = 86.4:
      O   HA    GLU-  36 - HN    GLU-  36   2.80 +/- 0.03  99.110% * 99.7892% (0.69  10.0   6.05  86.37) =  99.999%  kept
          HA    LYS+  66 - HN    GLU-  36  20.66 +/- 2.69   0.385% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  23.73 +/- 3.79   0.248% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  27.71 +/- 7.80   0.257% *  0.0287% (0.20   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 = 4.47, residual support = 29.8:
      O   HA    SER   37 - HN    SER   37   2.91 +/- 0.02  88.744% * 99.4774% (0.97  10.0   4.47  29.80) =  99.991%  kept
          HA    GLU-  15 - HN    SER   37  12.48 +/- 4.90   3.403% *  0.0748% (0.73   1.0   0.02   0.02) =   0.003%
          HA    LEU   40 - HN    SER   37   8.44 +/- 0.49   3.799% *  0.0542% (0.53   1.0   0.02   0.48) =   0.002%
          HA    GLN   17 - HN    SER   37  15.18 +/- 3.63   1.507% *  0.0995% (0.97   1.0   0.02   0.02) =   0.002%
          HA    SER   13 - HN    SER   37  15.99 +/- 4.59   1.295% *  0.0748% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    SER   37  13.62 +/- 0.67   0.895% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.83 +/- 1.61   0.152% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  23.79 +/- 3.18   0.204% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.6:
      O   HA    GLU-  36 - HN    SER   37   3.48 +/- 0.04  98.655% * 99.6452% (0.34  10.0   4.29  18.60) =  99.997%  kept
          HA    LYS+  66 - HN    SER   37  18.95 +/- 2.60   0.913% *  0.2819% (0.97   1.0   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    SER   37  24.22 +/- 3.56   0.431% *  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 = 4.85, residual support = 20.5:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.03  81.725% * 95.0830% (0.73  10.0   4.87  20.57) =  99.539%  kept
          HA    LEU   40 - HN    LYS+  38   7.35 +/- 0.25   8.212% *  4.2652% (0.84   1.0   0.78   0.53) =   0.449%  kept
          HA    GLU-  15 - HN    LYS+  38  13.25 +/- 4.80   3.590% *  0.1264% (0.97   1.0   0.02   0.02) =   0.006%
          HA    GLN   17 - HN    LYS+  38  15.49 +/- 3.58   2.475% *  0.0951% (0.73   1.0   0.02   0.02) =   0.003%
          HA    SER   13 - HN    LYS+  38  17.07 +/- 4.52   1.248% *  0.1264% (0.97   1.0   0.02   0.02) =   0.002%
          HA    PRO   58 - HN    LYS+  38  23.53 +/- 3.42   0.335% *  0.1239% (0.95   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    LYS+  38  13.08 +/- 0.57   1.477% *  0.0259% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.74 +/- 1.50   0.227% *  0.1048% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  23.74 +/- 7.18   0.536% *  0.0292% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  27.59 +/- 2.69   0.174% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.45, residual support = 1.77:
          HA    GLU-  36 - HN    LYS+  38   4.16 +/- 0.22  96.509% * 97.0802% (0.97   1.45   1.77) =  99.974%  kept
          HA    LYS+  81 - HN    LYS+  38  24.42 +/- 3.73   0.686% *  1.2469% (0.90   0.02   0.02) =   0.009%
          HA    ALA  124 - HN    LYS+  38  25.14 +/- 7.89   1.063% *  0.6768% (0.49   0.02   0.02) =   0.008%
          HA    LYS+  66 - HN    LYS+  38  18.84 +/- 2.44   1.336% *  0.4743% (0.34   0.02   0.02) =   0.007%
          HA    ARG+  54 - HN    LYS+  38  27.87 +/- 4.02   0.406% *  0.5218% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 36.5:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.03  95.951% * 99.4345% (1.00  10.0   3.72  36.47) =  99.997%  kept
          HA    GLU-  79 - HN    THR   39  21.71 +/- 4.55   0.969% *  0.0986% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   39  13.15 +/- 1.32   1.119% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   39  16.63 +/- 0.82   0.505% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  22.62 +/- 3.84   0.434% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  19.87 +/- 5.06   0.471% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.42 +/- 3.45   0.281% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  24.62 +/- 2.62   0.168% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  29.72 +/- 3.43   0.102% *  0.0975% (0.98   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 = 4.16, residual support = 24.0:
      O   HA    THR   39 - HN    LEU   40   2.27 +/- 0.06  97.301% * 99.4345% (1.00  10.0   4.16  24.03) =  99.998%  kept
          HA    ILE  103 - HN    LEU   40  11.12 +/- 1.34   1.039% *  0.0722% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    LEU   40  21.07 +/- 3.84   0.327% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  13.74 +/- 0.90   0.462% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.02 +/- 3.44   0.296% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.08 +/- 4.94   0.225% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  20.99 +/- 2.64   0.175% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  26.71 +/- 3.63   0.078% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  23.50 +/- 2.37   0.097% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 5.13, residual support = 100.3:
      O   HA    LEU   40 - HN    LEU   40   2.83 +/- 0.04  77.881% * 97.6007% (1.00  10.0   5.14 100.54) =  99.754%  kept
          HA    LYS+  99 - HN    LEU   40   6.69 +/- 1.70   9.664% *  1.8753% (0.25   1.0   1.54  10.62) =   0.238%  kept
          HA    GLU-  15 - HN    LEU   40  12.13 +/- 4.03   2.041% *  0.0923% (0.95   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    LEU   40   8.21 +/- 0.57   3.352% *  0.0366% (0.38   1.0   0.02   0.02) =   0.002%
          HA    SER   37 - HN    LEU   40   8.39 +/- 0.22   3.032% *  0.0366% (0.38   1.0   0.02   0.48) =   0.001%
          HA    GLN   17 - HN    LEU   40  11.98 +/- 3.52   1.701% *  0.0366% (0.38   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    LEU   40  17.88 +/- 6.86   0.927% *  0.0513% (0.53   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   40  17.91 +/- 3.10   0.495% *  0.0942% (0.97   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    LEU   40  17.19 +/- 3.37   0.451% *  0.0923% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LEU   40  19.97 +/- 1.48   0.243% *  0.0438% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.74 +/- 2.59   0.213% *  0.0401% (0.41   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 = 4.5, residual support = 75.5:
      O   HA    VAL   41 - HN    VAL   41   2.92 +/- 0.02  98.185% * 99.4222% (0.22  10.0   4.50  75.49) =  99.996%  kept
          HA    PHE   45 - HN    VAL   41  14.34 +/- 0.47   0.839% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   41  19.95 +/- 3.17   0.538% *  0.1676% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    VAL   41  18.11 +/- 1.33   0.438% *  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 = 5.1, residual support = 20.0:
      O   HA    LEU   40 - HN    VAL   41   2.24 +/- 0.05  73.187% * 97.3386% (1.00  10.0   5.12  20.19) =  99.315%  kept
          HA    LYS+  99 - HN    VAL   41   4.48 +/- 1.57  22.884% *  2.1389% (0.25   1.0   1.76   0.02) =   0.682%  kept
          HA    ASN   35 - HN    VAL   41   8.32 +/- 1.07   1.592% *  0.0365% (0.38   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    VAL   41  14.68 +/- 3.80   0.421% *  0.0921% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    VAL   41  10.94 +/- 0.60   0.652% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  17.81 +/- 2.99   0.224% *  0.0939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  14.11 +/- 3.26   0.402% *  0.0365% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.78 +/- 3.53   0.140% *  0.0921% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  18.88 +/- 5.95   0.245% *  0.0512% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.59 +/- 0.72   0.156% *  0.0436% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  21.06 +/- 1.88   0.097% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.42, residual support = 24.1:
        T HN    LEU   98 - HN    VAL   41   4.61 +/- 1.39 100.000% *100.0000% (0.97 10.00   5.42  24.06) = 100.000%  kept
    Distance limit 4.21 A violated in 5 structures by 0.80 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.18, residual support = 4.31:
          HA    PHE   72 - HN    VAL   42   4.81 +/- 1.50 100.000% *100.0000% (0.22   1.18   4.31) = 100.000%  kept
    Distance limit 4.25 A violated in 5 structures by 0.88 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.32, residual support = 28.5:
      O   HA    VAL   41 - HN    VAL   42   2.24 +/- 0.08  98.420% * 99.4222% (0.22  10.0   5.32  28.54) =  99.996%  kept
          HA    PHE   45 - HN    VAL   42  10.66 +/- 0.48   0.952% *  0.3413% (0.76   1.0   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    VAL   42  16.90 +/- 1.87   0.282% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  15.24 +/- 1.50   0.346% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 89.7:
      O   HA    VAL   42 - HN    VAL   42   2.92 +/- 0.02  95.039% * 99.6568% (0.87  10.0   5.44  89.71) =  99.998%  kept
          HA    GLN   17 - HN    VAL   42  12.34 +/- 3.77   1.811% *  0.0355% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    VAL   42  17.71 +/- 1.64   0.493% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.30 +/- 0.68   1.026% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.02 +/- 2.36   0.346% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  13.96 +/- 0.82   0.908% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  19.60 +/- 2.79   0.378% *  0.0650% (0.57   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 = 5.01, residual support = 39.8:
      O   HA    VAL   42 - HN    VAL   43   2.25 +/- 0.04  97.716% * 99.7026% (1.00  10.0   5.01  39.75) =  99.999%  kept
          HA    THR   46 - HN    VAL   43  11.50 +/- 0.42   0.738% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  15.32 +/- 3.81   0.396% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  17.04 +/- 0.71   0.229% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.19 +/- 1.25   0.434% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  19.05 +/- 1.69   0.175% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  16.50 +/- 2.57   0.313% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.275, support = 2.53, residual support = 4.85:
          HA    LYS+  74 - HN    ASP-  44   5.36 +/- 2.01  65.400% * 83.0813% (0.28   2.65   5.16) =  94.015%  kept
          HA    VAL   41 - HN    ASP-  44   7.95 +/- 0.64  23.696% * 13.7815% (0.20   0.62   0.02) =   5.650%  kept
          HA    MET   92 - HN    ASP-  44  11.33 +/- 1.23   8.393% *  1.9528% (0.87   0.02   0.02) =   0.284%  kept
          HA    HIS  122 - HN    ASP-  44  17.10 +/- 3.07   2.511% *  1.1844% (0.53   0.02   0.02) =   0.051%
    Distance limit 3.77 A violated in 4 structures by 1.14 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.9, residual support = 16.4:
      O   HA    VAL   43 - HN    ASP-  44   2.22 +/- 0.07  93.245% * 99.8182% (0.87  10.0   3.90  16.45) =  99.996%  kept
          HA    LEU   71 - HN    ASP-  44   9.23 +/- 1.80   5.431% *  0.0560% (0.49   1.0   0.02   0.02) =   0.003%
          HA    ASN   69 - HN    ASP-  44  13.06 +/- 1.76   0.659% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  12.41 +/- 1.86   0.665% *  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 = 3.78, residual support = 39.4:
      O   HA    ASP-  44 - HN    ASP-  44   2.90 +/- 0.03  91.346% * 98.9185% (0.49  10.0   3.78  39.45) =  99.990%  kept
          HB    THR   77 - HN    ASP-  44  10.00 +/- 1.44   3.170% *  0.0835% (0.41   1.0   0.02   0.02) =   0.003%
          HA    ASP-  86 - HN    ASP-  44  14.20 +/- 1.29   0.840% *  0.2028% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LEU  104 - HN    ASP-  44  14.03 +/- 1.70   1.065% *  0.1396% (0.69   1.0   0.02   0.02) =   0.002%
          HA    ILE  103 - HN    ASP-  44  11.74 +/- 1.32   1.590% *  0.0627% (0.31   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP-  44  18.88 +/- 3.45   0.422% *  0.1992% (0.98   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  44  14.37 +/- 1.62   0.874% *  0.0835% (0.41   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    ASP-  44  22.88 +/- 4.33   0.315% *  0.2032% (1.00   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP-  44  24.14 +/- 5.66   0.379% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.2:
        T HN    THR   94 - HN    PHE   45   3.21 +/- 0.70  96.487% * 99.8815% (0.84 10.00   3.30  27.16) =  99.996%  kept
          HN    GLU-  79 - HN    PHE   45  10.96 +/- 1.30   3.513% *  0.1185% (0.99  1.00   0.02   0.02) =   0.004%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.68, residual support = 80.1:
          QD    PHE   45 - HN    PHE   45   2.01 +/- 0.47  98.932% * 98.5563% (0.53   5.68  80.15) =  99.994%  kept
          HE22  GLN  116 - HN    PHE   45  15.78 +/- 2.37   0.447% *  0.6239% (0.95   0.02   0.02) =   0.003%
          HD2   HIS  122 - HN    PHE   45  14.25 +/- 2.44   0.433% *  0.6365% (0.97   0.02   0.02) =   0.003%
          HE22  GLN   17 - HN    PHE   45  20.23 +/- 4.15   0.188% *  0.1834% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 2.0:
          HA    PHE   95 - HN    PHE   45   3.97 +/- 0.85 100.000% *100.0000% (1.00   1.89   2.00) = 100.000%  kept
    Distance limit 4.65 A violated in 1 structures by 0.12 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.95, residual support = 80.2:
      O   HA    PHE   45 - HN    PHE   45   2.91 +/- 0.02  96.338% * 99.9134% (0.99  10.0   3.95  80.15) =  99.999%  kept
          HA    VAL   41 - HN    PHE   45  11.60 +/- 0.48   1.559% *  0.0530% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    PHE   45  12.07 +/- 1.64   1.580% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.69 +/- 2.57   0.522% *  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 = 18.5:
      O   HA    ASP-  44 - HN    PHE   45   2.29 +/- 0.04  93.358% * 97.4412% (1.00  10.0   4.06  18.49) =  99.943%  kept
          HB    THR   77 - HN    PHE   45   8.62 +/- 1.97   2.529% *  1.9777% (0.99   1.0   0.41  10.43) =   0.055%
          HA    SER   85 - HN    PHE   45  12.89 +/- 1.26   0.597% *  0.0966% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    PHE   45  12.91 +/- 1.33   0.590% *  0.0922% (0.95   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    PHE   45  13.02 +/- 1.28   0.583% *  0.0591% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.74 +/- 0.80   0.459% *  0.0437% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45  12.11 +/- 2.47   0.993% *  0.0171% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.86 +/- 1.18   0.369% *  0.0401% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  17.67 +/- 0.91   0.211% *  0.0513% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  27.47 +/- 5.67   0.106% *  0.0972% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  22.44 +/- 3.16   0.116% *  0.0366% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  26.33 +/- 4.20   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 = 4.39, residual support = 12.4:
          QD    PHE   45 - HN    THR   46   4.58 +/- 0.29  85.965% * 94.4140% (0.22   4.39  12.38) =  99.845%  kept
          HE22  GLN  116 - HN    THR   46  16.93 +/- 2.36   2.177% *  1.8624% (0.97   0.02   0.02) =   0.050%
          HD2   HIS  122 - HN    THR   46  16.71 +/- 1.90   2.131% *  1.8256% (0.95   0.02   0.02) =   0.048%
          HE22  GLN   17 - HN    THR   46  20.14 +/- 4.83   1.947% *  1.1705% (0.61   0.02   0.02) =   0.028%
          HE22  GLN   90 - HN    THR   46  14.03 +/- 2.39   7.093% *  0.2978% (0.15   0.02   0.02) =   0.026%
          HE22  GLN   32 - HN    THR   46  24.01 +/- 2.98   0.687% *  0.4297% (0.22   0.02   0.02) =   0.004%
    Distance limit 4.59 A violated in 0 structures by 0.11 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 2.71, residual support = 3.74:
          HA    ASP-  76 - HN    THR   46   5.99 +/- 3.54  81.813% * 98.7999% (0.53   2.71   3.75) =  99.731%  kept
          HA    LEU   67 - HN    THR   46  15.17 +/- 2.89  18.187% *  1.2001% (0.87   0.02   0.02) =   0.269%  kept
    Distance limit 4.10 A violated in 11 structures by 2.38 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   2.25 +/- 0.07  96.877% * 99.9017% (0.76  10.0   3.96  12.38) =  99.999%  kept
          HA    ASP-  78 - HN    THR   46   9.82 +/- 2.48   1.927% *  0.0491% (0.38   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    THR   46  14.39 +/- 3.58   0.783% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.18 +/- 0.96   0.413% *  0.0291% (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 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.1:
      O   HA    THR   46 - HN    THR   46   2.88 +/- 0.06  88.064% * 99.4016% (0.57  10.0   3.25  34.15) =  99.990%  kept
          HA    GLN   90 - HN    THR   46   9.72 +/- 2.29   7.573% *  0.0599% (0.34   1.0   0.02   0.02) =   0.005%
          HA    VAL   42 - HN    THR   46  11.72 +/- 0.43   1.326% *  0.1752% (1.00   1.0   0.02   0.02) =   0.003%
          HA    PHE   55 - HN    THR   46  14.29 +/- 1.79   0.858% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    THR   46  13.74 +/- 3.50   1.527% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   46  17.90 +/- 4.42   0.501% *  0.1136% (0.65   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    THR   46  24.65 +/- 1.72   0.152% *  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 = 3.36, residual support = 11.0:
          HN    THR   77 - HN    THR   46   5.51 +/- 3.13 100.000% *100.0000% (1.00   3.36  10.98) = 100.000%  kept
    Distance limit 4.77 A violated in 7 structures by 1.58 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.895, support = 2.28, residual support = 10.7:
      O   HA    ALA   47 - HN    ALA   47   2.91 +/- 0.03  63.148% * 96.8065% (0.90  10.0   2.30  10.77) =  98.729%  kept
          HA    CYS   50 - HN    ALA   47   5.05 +/- 1.68  26.559% *  2.9393% (0.73   1.0   0.75   6.62) =   1.261%  kept
          HA    TRP   49 - HN    ALA   47   6.63 +/- 0.89   7.425% *  0.0568% (0.53   1.0   0.02  15.14) =   0.007%
          HA    VAL  108 - HN    ALA   47  13.24 +/- 2.94   1.519% *  0.0864% (0.80   1.0   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    ALA   47  14.61 +/- 2.82   0.954% *  0.0741% (0.69   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA   47  17.27 +/- 2.58   0.394% *  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 = 11.0:
      O   HA    THR   46 - HN    ALA   47   2.57 +/- 0.16  94.102% * 99.4016% (0.57  10.0   3.07  11.05) =  99.995%  kept
          HA    GLN   90 - HN    ALA   47  11.37 +/- 2.54   2.086% *  0.0599% (0.34   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    ALA   47  12.01 +/- 1.81   1.260% *  0.0924% (0.53   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ALA   47  15.25 +/- 0.40   0.464% *  0.1752% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   47  12.98 +/- 3.65   1.685% *  0.0438% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ALA   47  19.76 +/- 4.60   0.323% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  27.99 +/- 2.21   0.079% *  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 = 4.1, residual support = 14.1:
        T HN    TRP   49 - HN    SER   48   2.70 +/- 0.12  78.803% * 93.5813% (0.84 10.00   4.14  14.36) =  98.336%  kept
          HN    CYS   50 - HN    SER   48   4.82 +/- 1.10  19.640% *  6.3504% (0.61  1.00   1.87   0.02) =   1.663%  kept
          HN    VAL   83 - HN    SER   48  15.49 +/- 3.51   1.239% *  0.0222% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.07 +/- 3.32   0.319% *  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 = 2.2, residual support = 6.26:
      O   HA    ALA   47 - HN    SER   48   2.34 +/- 0.09  81.654% * 88.1730% (0.90  10.0   2.20   6.20) =  98.917%  kept
          HA    TRP   49 - HN    SER   48   5.19 +/- 0.11   7.561% *  8.0962% (0.53   1.0   3.13  14.36) =   0.841%  kept
          HA    CYS   50 - HN    SER   48   6.35 +/- 0.94   4.851% *  3.5510% (0.73   1.0   0.99   0.02) =   0.237%  kept
          HA    VAL  108 - HN    SER   48  16.02 +/- 4.19   3.240% *  0.0787% (0.80   1.0   0.02   0.02) =   0.004%
          HA1   GLY  109 - HN    SER   48  17.23 +/- 4.47   2.193% *  0.0675% (0.69   1.0   0.02   0.02) =   0.002%
          HA    CYS   21 - HN    SER   48  17.56 +/- 4.10   0.502% *  0.0335% (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 = 0.922, support = 4.9, residual support = 85.7:
          HD1   TRP   49 - HN    TRP   49   2.66 +/- 0.76  86.907% * 94.0837% (0.92   4.91  85.92) =  99.714%  kept
          QE    PHE   95 - HN    TRP   49  10.87 +/- 2.33   4.702% *  4.5512% (0.65   0.34   0.02) =   0.261%  kept
          HN    THR   23 - HN    TRP   49  17.71 +/- 4.91   2.436% *  0.2850% (0.69   0.02   0.02) =   0.008%
          HN    LEU   67 - HN    TRP   49  18.58 +/- 4.46   1.458% *  0.4067% (0.98   0.02   0.02) =   0.007%
          HD2   HIS   22 - HN    TRP   49  18.89 +/- 5.00   1.257% *  0.3322% (0.80   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    TRP   49  11.82 +/- 1.67   2.483% *  0.1034% (0.25   0.02   0.02) =   0.003%
          HE3   TRP   27 - HN    TRP   49  18.53 +/- 3.23   0.653% *  0.0821% (0.20   0.02   0.02) =   0.001%
          HD21  ASN   35 - HN    TRP   49  30.09 +/- 3.19   0.104% *  0.1557% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.14, residual support = 14.4:
        T HN    SER   48 - HN    TRP   49   2.70 +/- 0.12 100.000% *100.0000% (0.84 10.00   4.14  14.36) = 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 = 0.939, support = 2.25, residual support = 6.8:
      O   HA    CYS   50 - HN    CYS   50   2.45 +/- 0.29  55.842% * 52.0551% (0.98  10.0   2.00   7.70) =  64.442%  kept
      O   HA    TRP   49 - HN    CYS   50   3.16 +/- 0.55  34.492% * 46.0663% (0.87  10.0   2.73   5.15) =  35.225%  kept
          HA    ALA   47 - HN    CYS   50   5.15 +/- 1.29   8.560% *  1.7489% (0.57   1.0   1.16   6.62) =   0.332%  kept
          HA1   GLY  109 - HN    CYS   50  17.12 +/- 3.77   0.473% *  0.0513% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    CYS   50  16.51 +/- 3.37   0.427% *  0.0238% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.38 +/- 3.39   0.162% *  0.0365% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  26.77 +/- 2.14   0.043% *  0.0181% (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 = 0.861, support = 4.56, residual support = 80.6:
      O   HA    TRP   49 - HN    TRP   49   2.79 +/- 0.18  59.322% * 79.3290% (0.87  10.0   4.68  85.92) =  93.028%  kept
          HA    CYS   50 - HN    TRP   49   4.74 +/- 0.53  14.059% * 12.7585% (0.98   1.0   2.85   5.15) =   3.546%  kept
          HA    ALA   47 - HN    TRP   49   3.94 +/- 0.26  22.506% *  7.6892% (0.57   1.0   2.97  15.14) =   3.421%  kept
          HA1   GLY  109 - HN    TRP   49  17.44 +/- 4.43   2.316% *  0.0883% (0.97   1.0   0.02   0.02) =   0.004%
          HA    VAL  108 - HN    TRP   49  16.75 +/- 3.90   1.399% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    TRP   49  18.85 +/- 4.03   0.323% *  0.0628% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  26.71 +/- 2.04   0.075% *  0.0312% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.32, residual support = 85.9:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  92.532% * 99.6863% (0.92  10.0   2.32  85.92) =  99.997%  kept
          QE    PHE   95 - HE1   TRP   49   9.57 +/- 2.91   4.475% *  0.0240% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HE1   TRP   49  20.45 +/- 5.47   0.803% *  0.1070% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HE1   TRP   49  18.49 +/- 5.12   0.975% *  0.0655% (0.61   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HE1   TRP   49  19.08 +/- 5.25   1.139% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  29.93 +/- 3.49   0.076% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 1.37, residual support = 1.34:
      O   HA    CYS   50 - HN    GLY   51   2.98 +/- 0.41  70.970% * 95.0020% (0.98  10.0   1.38   1.36) =  98.621%  kept
          HA    TRP   49 - HN    GLY   51   5.01 +/- 0.98  20.443% *  4.5749% (0.87   1.0   0.75   0.02) =   1.368%  kept
          HA    ALA   47 - HN    GLY   51   7.84 +/- 1.24   5.803% *  0.0796% (0.57   1.0   0.02   0.02) =   0.007%
          HA1   GLY  109 - HN    GLY   51  17.82 +/- 3.92   1.349% *  0.1358% (0.97   1.0   0.02   0.02) =   0.003%
          HA    VAL  108 - HN    GLY   51  17.65 +/- 3.54   0.978% *  0.0631% (0.45   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY   51  20.77 +/- 3.38   0.360% *  0.0966% (0.69   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HN    GLY   51  28.45 +/- 2.53   0.097% *  0.0480% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.73, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.55 +/- 0.29  94.395% * 99.5416% (0.92  10.0   2.73  10.18) =  99.996%  kept
          HA    ALA   57 - HN    GLY   51  11.06 +/- 1.64   2.243% *  0.1069% (0.99   1.0   0.02   0.02) =   0.003%
          HA    GLU-  79 - HN    GLY   51  18.77 +/- 4.66   1.061% *  0.0824% (0.76   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    GLY   51  14.76 +/- 3.35   0.921% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.57 +/- 1.47   0.613% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  19.22 +/- 2.59   0.258% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  27.45 +/- 3.06   0.089% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  21.74 +/- 2.82   0.225% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.96 +/- 2.66   0.128% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  31.56 +/- 5.76   0.065% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.18, residual support = 31.9:
        T HN    ARG+  54 - HN    CYS   53   2.68 +/- 0.12  98.362% * 99.1159% (0.98 10.00   6.18  31.86) =  99.989%  kept
        T HN    ASP-  62 - HN    CYS   53  12.25 +/- 1.98   1.397% *  0.7343% (0.73 10.00   0.02   0.02) =   0.011%
          HN    LEU   31 - HN    CYS   53  24.32 +/- 2.66   0.157% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.25 +/- 2.79   0.084% *  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 = 31.9:
        T HN    CYS   53 - HN    ARG+  54   2.68 +/- 0.12  96.925% * 99.6035% (0.85 10.00   6.18  31.86) =  99.997%  kept
        T HN    CYS   53 - HN    ASP-  62  12.25 +/- 1.98   1.376% *  0.1864% (0.16 10.00   0.02   0.02) =   0.003%
          HN    LEU   80 - HN    ARG+  54  19.03 +/- 3.55   0.387% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.66 +/- 3.88   0.211% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.39 +/- 2.49   0.110% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  18.37 +/- 1.72   0.336% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.48 +/- 2.15   0.295% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  19.91 +/- 2.66   0.360% *  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 = 0.524, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ARG+  54  21.61 +/- 4.77  13.383% * 31.3037% (0.72   0.02   0.02) =  32.852%  kept
          HN    TRP   87 - HN    ARG+  54  21.33 +/- 3.02  11.358% * 29.7440% (0.69   0.02   0.02) =  26.492%  kept
          HN    GLN   17 - HN    ARG+  54  21.81 +/- 3.92   7.300% * 23.1904% (0.54   0.02   0.02) =  13.275%  kept
          HD21  ASN   69 - HN    ASP-  62  13.85 +/- 2.12  27.511% *  5.8573% (0.14   0.02   0.02) =  12.636%  kept
          HN    GLN   17 - HN    ASP-  62  13.77 +/- 2.84  30.233% *  4.3392% (0.10   0.02   0.02) =  10.287%  kept
          HN    TRP   87 - HN    ASP-  62  20.72 +/- 3.29  10.214% *  5.5654% (0.13   0.02   0.02) =   4.458%  kept
    Distance limit 3.93 A violated in 20 structures by 7.13 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 3.91, residual support = 22.9:
          HN    PHE   55 - HN    ILE   56   2.70 +/- 0.13  89.915% * 93.8565% (0.95   3.92  22.92) =  99.835%  kept
          HN    ASP-  62 - HN    ILE   56   9.21 +/- 0.98   2.513% *  5.4587% (0.31   0.70   0.02) =   0.162%  kept
          HN    ALA   88 - HN    ILE   56  22.16 +/- 2.99   0.259% *  0.4396% (0.87   0.02   0.02) =   0.001%
          HN    ALA   88 - HZ2   TRP   87   8.28 +/- 0.32   3.267% *  0.0191% (0.04   0.02   4.99) =   0.001%
          HN    LEU   31 - HN    ILE   56  23.81 +/- 2.11   0.150% *  0.1902% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  11.64 +/- 5.87   3.136% *  0.0083% (0.02   0.02   1.81) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.99 +/- 3.13   0.425% *  0.0208% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  18.51 +/- 2.62   0.334% *  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 = 5.05, residual support = 31.6:
          HN    ALA   57 - HN    ILE   56   3.28 +/- 0.68  83.975% * 91.6678% (0.87   5.10  31.96) =  98.958%  kept
          HE21  GLN  116 - HN    ILE   56   9.46 +/- 2.85  10.398% *  7.7362% (0.80   0.47   0.02) =   1.034%  kept
          HN    ALA  120 - HN    ILE   56  13.02 +/- 1.82   2.665% *  0.1705% (0.41   0.02   0.02) =   0.006%
          HE21  GLN   90 - HN    ILE   56  21.28 +/- 4.14   0.424% *  0.3720% (0.90   0.02   0.02) =   0.002%
          HE21  GLN   90 - HZ2   TRP   87  15.14 +/- 1.40   1.250% *  0.0161% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.43 +/- 2.48   0.597% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  22.56 +/- 2.12   0.331% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.68 +/- 2.22   0.361% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.24 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.158, support = 4.99, residual support = 124.7:
      O   HA    ILE   56 - HN    ILE   56   2.78 +/- 0.15  82.364% * 87.7992% (0.15  10.0   5.01 125.40) =  99.454%  kept
          HA    PRO   58 - HN    ILE   56   7.73 +/- 0.54   4.226% *  8.9444% (0.95   1.0   0.33   0.02) =   0.520%  kept
          HA    THR   46 - HN    ILE   56  10.45 +/- 2.34   2.678% *  0.4556% (0.80   1.0   0.02   0.02) =   0.017%
          HA    GLN   17 - HN    ILE   56  18.82 +/- 3.35   0.429% *  0.4132% (0.73   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ILE   56  23.04 +/- 3.07   0.194% *  0.5492% (0.97   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ILE   56  21.73 +/- 2.70   0.220% *  0.4753% (0.84   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ILE   56  16.67 +/- 3.49   0.664% *  0.1267% (0.22   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HN    ILE   56  27.22 +/- 3.20   0.104% *  0.5492% (0.97   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    ILE   56  17.50 +/- 1.18   0.347% *  0.1126% (0.20   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HN    ILE   56  28.85 +/- 3.21   0.090% *  0.4132% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HZ2   TRP   87   8.53 +/- 2.63   4.942% *  0.0049% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  12.84 +/- 3.16   1.137% *  0.0206% (0.04   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  14.19 +/- 1.65   0.765% *  0.0198% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  21.66 +/- 4.90   0.248% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  20.65 +/- 2.72   0.237% *  0.0234% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  19.61 +/- 3.76   0.283% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  20.56 +/- 4.45   0.268% *  0.0179% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  25.81 +/- 5.33   0.176% *  0.0238% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  21.84 +/- 3.45   0.478% *  0.0038% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  24.46 +/- 3.42   0.150% *  0.0055% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.09, residual support = 31.9:
          HN    ILE   56 - HN    ALA   57   3.28 +/- 0.68  86.839% * 98.5451% (0.98   5.10  31.96) =  99.948%  kept
          HN    LEU   63 - HN    ALA   57   7.95 +/- 1.01   9.831% *  0.3642% (0.92   0.02   0.02) =   0.042%
          HN    LYS+ 111 - HN    ALA   57  13.56 +/- 2.30   1.701% *  0.3539% (0.90   0.02   0.02) =   0.007%
          HN    ALA   84 - HN    ALA   57  21.21 +/- 1.96   0.386% *  0.3539% (0.90   0.02   0.02) =   0.002%
          HD21  ASN   28 - HN    ALA   57  22.13 +/- 3.01   0.451% *  0.1218% (0.31   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   57  20.43 +/- 2.48   0.616% *  0.0691% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  29.32 +/- 2.43   0.176% *  0.1921% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.21 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.467, support = 4.29, residual support = 20.0:
        T HN    PHE   60 - HN    PHE   59   2.73 +/- 0.22  89.454% * 86.8657% (0.47 10.00   4.32  20.02) =  99.416%  kept
        T HN    THR  118 - HN    PHE   59   8.69 +/- 1.15   3.848% * 11.7054% (0.29 10.00   0.44  12.62) =   0.576%  kept
        T HN    GLU-  15 - HN    PHE   59  20.90 +/- 2.91   0.317% *  1.4038% (0.76 10.00   0.02   0.02) =   0.006%
          HN    GLN  116 - HN    PHE   59   7.44 +/- 1.20   6.382% *  0.0251% (0.14  1.00   0.02   0.66) =   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 = 0.257, support = 4.8, residual support = 56.8:
      O   HA    PHE   59 - HN    PHE   59   2.78 +/- 0.07  72.355% * 86.5279% (0.24  10.0   4.97  58.37) =  95.826%  kept
          HA    ILE   56 - HN    PHE   59   4.98 +/- 1.25  21.874% * 12.4041% (0.69   1.0   0.99  20.27) =   4.153%  kept
          HA    ASP- 113 - HN    PHE   59   9.05 +/- 2.09   3.650% *  0.2514% (0.69   1.0   0.02   0.02) =   0.014%
          HA    LEU  123 - HN    PHE   59  12.77 +/- 1.79   1.066% *  0.2245% (0.62   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    PHE   59  19.39 +/- 3.60   0.562% *  0.2779% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    PHE   59  24.23 +/- 2.68   0.128% *  0.2588% (0.71   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    PHE   59  18.07 +/- 2.55   0.364% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.44, residual support = 24.1:
      O   HA    ALA   57 - HN    ALA   57   2.67 +/- 0.20  95.276% * 99.2309% (0.76  10.0   4.44  24.14) =  99.995%  kept
          HA1   GLY   51 - HN    ALA   57  10.82 +/- 1.13   1.828% *  0.1273% (0.98   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ALA   57  12.16 +/- 1.21   1.141% *  0.0683% (0.53   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   57  17.27 +/- 3.60   0.570% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.41 +/- 3.02   0.384% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  21.24 +/- 3.98   0.276% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  21.63 +/- 3.17   0.262% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  23.71 +/- 1.96   0.156% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  28.66 +/- 4.24   0.108% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.971, support = 4.66, residual support = 31.7:
      O   HA    ILE   56 - HN    ALA   57   3.21 +/- 0.41  67.542% * 90.8140% (0.99  10.0   4.63  31.96) =  96.832%  kept
          HA    PRO   58 - HN    ALA   57   4.75 +/- 0.18  22.823% *  8.7696% (0.34   1.0   5.61  24.90) =   3.160%  kept
          HA    ASP- 113 - HN    ALA   57   9.48 +/- 2.83   6.441% *  0.0519% (0.57   1.0   0.02   0.02) =   0.005%
          HA    LEU  123 - HN    ALA   57  15.12 +/- 3.03   1.410% *  0.0914% (1.00   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    ALA   57  21.26 +/- 3.85   0.536% *  0.0822% (0.90   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ALA   57  19.87 +/- 3.08   0.438% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.79 +/- 3.13   0.165% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  21.09 +/- 3.17   0.450% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.35 +/- 3.05   0.195% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 5.25, residual support = 41.5:
        T HN    PHE   60 - HN    ALA   61   2.82 +/- 0.22  95.651% * 97.7864% (0.61 10.00   5.26  41.47) =  99.977%  kept
        T HN    GLU-  15 - HN    ALA   61  17.56 +/- 3.17   0.694% *  1.5803% (0.98 10.00   0.02   0.02) =   0.012%
        T HN    THR  118 - HN    ALA   61  11.57 +/- 1.21   1.620% *  0.6051% (0.38 10.00   0.02   0.02) =   0.010%
          HN    GLN  116 - HN    ALA   61  10.60 +/- 1.14   2.035% *  0.0282% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.552, support = 4.3, residual support = 31.5:
          QD    PHE   60 - HN    ALA   61   3.45 +/- 0.70  56.125% * 49.3686% (0.57   4.77  41.47) =  75.652%  kept
          HN    PHE   59 - HN    ALA   61   4.54 +/- 0.35  27.541% * 24.0881% (0.41   3.20   0.68) =  18.113%  kept
          QE    PHE   59 - HN    ALA   61   7.19 +/- 0.80   8.650% * 26.0935% (0.80   1.78   0.68) =   6.163%  kept
          HN    LYS+  66 - HN    ALA   61   7.60 +/- 0.94   7.310% *  0.3586% (0.98   0.02   0.02) =   0.072%
          HN    LYS+  81 - HN    ALA   61  19.66 +/- 2.05   0.373% *  0.0912% (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 = 0.939, support = 0.897, residual support = 0.869:
          HA    PRO   58 - HN    ALA   61   3.94 +/- 0.75  61.729% * 65.9727% (0.97   0.93   0.88) =  95.118%  kept
          HA    THR   46 - HN    ALA   61  10.78 +/- 3.07   6.596% * 16.5659% (0.45   0.50   0.02) =   2.552%  kept
          HA    ILE   56 - HN    ALA   61   8.09 +/- 1.01  11.584% *  5.8315% (0.41   0.19   2.14) =   1.578%  kept
          HA    GLN   17 - HN    ALA   61  12.43 +/- 3.41   3.802% *  5.1032% (0.38   0.18   0.02) =   0.453%  kept
          HA    LEU   40 - HN    ALA   61  15.81 +/- 3.16   3.678% *  1.4773% (1.00   0.02   0.02) =   0.127%  kept
          HA    LYS+  99 - HN    ALA   61  17.61 +/- 4.30   7.929% *  0.3684% (0.25   0.02   0.02) =   0.068%
          HA    GLU-  15 - HN    ALA   61  16.57 +/- 3.01   1.267% *  1.3975% (0.95   0.02   0.02) =   0.041%
          HA    LEU  123 - HN    ALA   61  14.88 +/- 1.16   1.618% *  0.7772% (0.53   0.02   0.02) =   0.029%
          HA    SER   13 - HN    ALA   61  20.97 +/- 2.75   0.492% *  1.3975% (0.95   0.02   0.02) =   0.016%
          HA    ASN   35 - HN    ALA   61  21.58 +/- 2.96   0.736% *  0.5544% (0.38   0.02   0.02) =   0.010%
          HA    SER   37 - HN    ALA   61  22.25 +/- 3.24   0.571% *  0.5544% (0.38   0.02   0.02) =   0.007%
    Distance limit 4.04 A violated in 0 structures by 0.24 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.529, support = 1.45, residual support = 0.892:
          HA    ALA   57 - HN    ALA   61   5.12 +/- 1.45  52.984% * 47.2927% (0.41   1.71   1.12) =  73.782%  kept
          HA    ASP-  44 - HN    ALA   61   9.53 +/- 2.27  19.736% * 43.7110% (0.87   0.75   0.25) =  25.401%  kept
          HA    ILE  103 - HN    ALA   61  17.51 +/- 3.88   7.528% *  1.3172% (0.98   0.02   0.02) =   0.292%  kept
          HA1   GLY   51 - HN    ALA   61  13.91 +/- 1.44   4.049% *  0.9758% (0.73   0.02   0.02) =   0.116%  kept
          HB    THR   77 - HN    ALA   61  15.75 +/- 2.66   3.156% *  1.2405% (0.92   0.02   0.02) =   0.115%  kept
          HA    THR   39 - HN    ALA   61  17.29 +/- 2.93   3.234% *  1.1224% (0.84   0.02   0.02) =   0.107%  kept
          HA    GLU-  79 - HN    ALA   61  18.46 +/- 3.33   2.005% *  1.2051% (0.90   0.02   0.02) =   0.071%
          HA    MET   11 - HN    ALA   61  24.59 +/- 3.97   1.284% *  1.1224% (0.84   0.02   0.02) =   0.042%
          HA    SER   85 - HN    ALA   61  22.20 +/- 2.72   1.000% *  1.2405% (0.92   0.02   0.02) =   0.037%
          HA    GLU-  14 - HN    ALA   61  18.60 +/- 2.94   2.693% *  0.2073% (0.15   0.02   0.02) =   0.016%
          HA    ALA   12 - HN    ALA   61  22.89 +/- 3.36   1.277% *  0.2992% (0.22   0.02   0.02) =   0.011%
          HA    ASP-  86 - HN    ALA   61  22.53 +/- 2.86   1.055% *  0.2659% (0.20   0.02   0.02) =   0.008%
    Distance limit 4.57 A violated in 4 structures by 0.68 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.85, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.65 +/- 0.15  94.933% * 99.7221% (0.98 10.00   5.85  42.39) =  99.996%  kept
          HN    ARG+  54 - HN    LEU   63  12.07 +/- 3.07   2.553% *  0.0939% (0.92  1.00   0.02   0.02) =   0.003%
          HN    PHE   55 - HN    LEU   63  11.84 +/- 2.32   1.748% *  0.0382% (0.38  1.00   0.02   0.02) =   0.001%
          HN    LEU   31 - HN    LEU   63  17.44 +/- 2.12   0.478% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  19.55 +/- 2.11   0.287% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.84, residual support = 54.4:
        T HN    ALA   64 - HN    LEU   63   2.76 +/- 0.24 100.000% *100.0000% (0.97 10.00   6.84  54.44) = 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 = 29.2:
        T HN    LYS+  65 - HN    ALA   64   2.61 +/- 0.26 100.000% *100.0000% (0.97 10.00   4.84  29.18) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.84, residual support = 54.4:
          HN    LEU   63 - HN    ALA   64   2.76 +/- 0.24  96.241% * 99.0071% (0.99   6.84  54.44) =  99.992%  kept
          HN    ILE   56 - HN    ALA   64  11.77 +/- 1.30   1.407% *  0.2763% (0.95   0.02   0.02) =   0.004%
          HD21  ASN   28 - HN    ALA   64  16.70 +/- 2.37   0.577% *  0.1772% (0.61   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ALA   64  17.01 +/- 1.93   0.521% *  0.1772% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HN    ALA   64  15.89 +/- 2.23   0.647% *  0.1201% (0.41   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   64  18.18 +/- 1.83   0.403% *  0.1772% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA   64  22.32 +/- 1.73   0.204% *  0.0650% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.84, residual support = 29.2:
        T HN    ALA   64 - HN    LYS+  65   2.61 +/- 0.26 100.000% *100.0000% (0.67 10.00   4.84  29.18) = 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 = 6.45, residual support = 30.7:
          HN    LYS+  66 - HN    LYS+  65   2.60 +/- 0.18  86.953% * 93.3394% (0.68   6.49  30.87) =  99.367%  kept
          QD    PHE   60 - HN    LYS+  65   6.61 +/- 1.14   8.162% *  6.2317% (0.39   0.75   0.02) =   0.623%  kept
          QE    PHE   59 - HN    LYS+  65   8.99 +/- 1.18   2.555% *  0.2350% (0.55   0.02   0.02) =   0.007%
          HN    PHE   59 - HN    LYS+  65   9.20 +/- 0.78   2.083% *  0.1207% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    LYS+  65  19.66 +/- 2.14   0.248% *  0.0732% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.666, support = 1.11, residual support = 4.13:
          HA    ASP-  62 - HN    LYS+  65   3.63 +/- 0.34  96.603% * 96.5813% (0.67   1.11   4.13) =  99.950%  kept
          HB    THR   26 - HN    LYS+  65  16.37 +/- 1.86   1.459% *  1.7905% (0.68   0.02   0.02) =   0.028%
          HA    SER  117 - HN    LYS+  65  15.71 +/- 1.82   1.461% *  1.3118% (0.50   0.02   0.02) =   0.021%
          HA    SER   82 - HN    LYS+  65  22.64 +/- 2.27   0.477% *  0.3164% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.49, residual support = 30.9:
        T HN    LYS+  65 - HN    LYS+  66   2.60 +/- 0.18 100.000% *100.0000% (0.97 10.00   6.49  30.87) = 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 = 5.24, residual support = 118.0:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.05  99.425% * 99.9389% (0.97  10.0   5.24 118.00) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  21.80 +/- 2.48   0.292% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  21.50 +/- 2.29   0.283% *  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 = 2.65, residual support = 47.0:
          HD22  ASN   28 - HE3   TRP   27   5.23 +/- 0.25  96.396% * 94.3544% (0.08   2.66  47.09) =  99.777%  kept
          HD22  ASN   28 - HN    LEU   67  17.69 +/- 2.26   3.604% *  5.6456% (0.61   0.02   0.02) =   0.223%  kept
    Distance limit 4.53 A violated in 1 structures by 0.70 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.11, residual support = 60.6:
      O   HA    LEU   67 - HN    LEU   67   2.51 +/- 0.26  95.264% * 99.9623% (1.00  10.0   6.11  60.56) = 100.000%  kept
          HA    LEU   67 - HE3   TRP   27  13.20 +/- 1.98   1.111% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  14.24 +/- 2.00   0.586% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HE3   TRP   27  10.23 +/- 2.80   3.039% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 15.3:
      O   HA    LYS+  66 - HN    LEU   67   3.54 +/- 0.11  93.846% * 99.9186% (0.97  10.0   4.92  15.26) =  99.999%  kept
          HA    GLU-  36 - HN    LEU   67  20.21 +/- 2.52   0.671% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  15.60 +/- 1.65   1.328% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  21.25 +/- 2.00   0.474% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HE3   TRP   27  13.69 +/- 4.21   2.422% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.16 +/- 1.05   1.259% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 27.1:
        T HN    VAL   70 - HN    ASN   69   2.34 +/- 0.68  98.976% * 99.9644% (0.87 10.00   4.26  27.05) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.48 +/- 2.78   1.024% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.48, residual support = 61.0:
      O   HA    ASN   69 - HN    ASN   69   2.78 +/- 0.11  98.101% * 99.8231% (0.76  10.0   5.48  60.99) =  99.999%  kept
          HA    VAL   43 - HN    ASN   69  12.39 +/- 1.58   1.469% *  0.0636% (0.49   1.0   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    ASN   69  19.15 +/- 3.01   0.430% *  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 = 3.15, residual support = 61.0:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.666% * 99.9103% (0.52  10.0 10.00   3.15  60.99) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.04 +/- 2.39   0.282% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  23.82 +/- 3.65   0.052% *  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 = 3.15, residual support = 61.0:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  98.924% * 99.7566% (0.52  10.0   3.15  60.99) =  99.999%  kept
          HN    GLN   17 - HD22  ASN   69  12.17 +/- 2.98   0.960% *  0.1078% (0.56   1.0   0.02   0.02) =   0.001%
          HN    TRP   87 - HD22  ASN   69  23.17 +/- 2.04   0.045% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  20.35 +/- 2.65   0.071% *  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 = 45.4:
          QE    PHE   72 - HN    VAL   70   4.36 +/- 0.89  97.980% * 97.8530% (0.45   1.99  45.40) =  99.955%  kept
          HD22  ASN   28 - HN    VAL   70  16.63 +/- 2.35   2.020% *  2.1470% (0.98   0.02   0.02) =   0.045%
    Distance limit 4.52 A violated in 0 structures by 0.25 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 27.1:
        T HN    ASN   69 - HN    VAL   70   2.34 +/- 0.68  96.552% * 99.8277% (0.76 10.00   4.26  27.05) =  99.998%  kept
          HN    ASN   28 - HN    VAL   70  16.87 +/- 2.15   0.769% *  0.1236% (0.95  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    VAL   70  10.68 +/- 1.03   2.245% *  0.0259% (0.20  1.00   0.02   0.02) =   0.001%
          HN    GLU-  25 - HN    VAL   70  20.08 +/- 2.36   0.434% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.72, residual support = 27.1:
      O   HA    ASN   69 - HN    VAL   70   3.07 +/- 0.37  96.060% * 99.8197% (0.87  10.0   3.72  27.05) =  99.997%  kept
          HA    VAL   43 - HN    VAL   70  10.58 +/- 1.29   3.324% *  0.0743% (0.65   1.0   0.02   0.02) =   0.003%
          HA    HIS   22 - HN    VAL   70  17.58 +/- 2.48   0.616% *  0.1060% (0.93   1.0   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.21, residual support = 81.9:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.02  78.603% * 99.5350% (0.72  10.0   4.21  81.95) =  99.983%  kept
          HA1   GLY   16 - HN    VAL   70   8.81 +/- 4.62   7.367% *  0.0831% (0.60   1.0   0.02   0.02) =   0.008%
          HA    VAL   18 - HN    VAL   70   8.51 +/- 3.52   9.751% *  0.0342% (0.25   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    VAL   70  11.12 +/- 1.48   2.174% *  0.1265% (0.91   1.0   0.02   0.02) =   0.004%
          HA    GLN  116 - HN    VAL   70  15.16 +/- 3.48   0.863% *  0.0995% (0.72   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    VAL   70  15.87 +/- 1.70   0.584% *  0.0564% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.86 +/- 2.08   0.441% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  22.10 +/- 2.57   0.217% *  0.0271% (0.20   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 = 137.8:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.04  93.901% * 99.9402% (1.00  10.0   6.61 137.77) =  99.998%  kept
          HA    VAL   43 - HN    LEU   71   9.38 +/- 1.36   4.609% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HA    ALA   20 - HN    LEU   71  12.11 +/- 1.45   1.490% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 5.68, residual support = 34.4:
      O   HA    VAL   70 - HN    LEU   71   2.23 +/- 0.07  87.941% * 95.8733% (1.00  10.0   5.69  34.42) =  99.796%  kept
          HA    VAL   18 - HN    LEU   71   8.08 +/- 3.21   4.546% *  3.7304% (0.69   1.0   1.13   0.02) =   0.201%  kept
          HB2   SER   37 - HN    LEU   71   9.02 +/- 1.91   1.783% *  0.0467% (0.49   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HN    LEU   71   8.91 +/- 4.83   3.936% *  0.0190% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   71  16.17 +/- 4.45   0.652% *  0.0959% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   71  13.25 +/- 1.93   0.498% *  0.0832% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  15.28 +/- 1.87   0.316% *  0.0696% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  20.73 +/- 2.58   0.152% *  0.0582% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  19.50 +/- 2.87   0.175% *  0.0239% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.23, residual support = 3.1:
          HA    VAL   41 - HN    LEU   71   5.41 +/- 1.35  79.621% * 98.7582% (1.00   2.23   3.11) =  99.830%  kept
          HA    HIS  122 - HN    LEU   71  14.42 +/- 6.14  13.289% *  0.7402% (0.84   0.02   0.02) =   0.125%  kept
          HA    PHE   45 - HN    LEU   71  14.37 +/- 1.45   7.090% *  0.5017% (0.57   0.02   0.02) =   0.045%
    Distance limit 4.09 A violated in 8 structures by 1.43 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 1.43:
          HN    VAL   42 - HN    LEU   71   5.57 +/- 1.21  52.440% * 34.4409% (0.61   2.31   1.70) =  54.293%  kept
          HN    LEU   73 - HN    LEU   71   7.36 +/- 0.35  20.602% * 38.8394% (0.61   2.61   1.76) =  24.053%  kept
          HN    ILE   19 - HN    LEU   71   8.68 +/- 2.60  26.958% * 26.7197% (0.98   1.11   0.40) =  21.653%  kept
    Distance limit 4.62 A violated in 0 structures by 0.49 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.63, residual support = 90.1:
          QD    PHE   72 - HN    PHE   72   2.56 +/- 0.57  95.486% * 98.9249% (0.45   5.64  90.10) =  99.974%  kept
          HD22  ASN   69 - HN    PHE   72   9.63 +/- 0.73   2.703% *  0.5686% (0.73   0.02   0.02) =   0.016%
          QE    PHE   45 - HN    PHE   72  11.03 +/- 1.19   1.811% *  0.5065% (0.65   0.02   0.02) =   0.010%
    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 = 90.1:
      O   HA    PHE   72 - HN    PHE   72   2.91 +/- 0.02 100.000% *100.0000% (0.53  10.0   5.04  90.10) = 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 = 5.47, residual support = 19.2:
      O   HA    LEU   71 - HN    PHE   72   2.30 +/- 0.07  93.966% * 99.9402% (1.00  10.0   5.47  19.23) =  99.998%  kept
          HA    ALA   20 - HN    PHE   72   8.75 +/- 2.14   2.409% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HA    VAL   43 - HN    PHE   72   7.50 +/- 1.23   3.625% *  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 = 0.591, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.91 +/- 0.97  18.638% * 29.8815% (0.73   0.02   0.02) =  34.139%  kept
          HA    ASP-  78 - HN    PHE   72  18.16 +/- 1.83  10.272% * 39.7133% (0.97   0.02   0.02) =  25.005%  kept
          HA    PHE   45 - HN    PHE   72  11.94 +/- 1.23  36.185% *  7.2068% (0.18   0.02   0.02) =  15.985%  kept
          HA    LEU   80 - HN    PHE   72  15.69 +/- 2.24  17.631% * 14.0368% (0.34   0.02   0.02) =  15.170%  kept
          HB    THR   23 - HN    PHE   72  15.51 +/- 1.15  17.274% *  9.1616% (0.22   0.02   0.02) =   9.701%  kept
    Distance limit 4.49 A violated in 20 structures by 6.20 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.519, support = 0.965, residual support = 1.12:
          QE    PHE   60 - HN    LEU   73   8.00 +/- 3.73  38.918% * 65.0016% (0.49   1.12   1.29) =  81.538%  kept
          HN    LEU   63 - HN    LEU   73  10.25 +/- 1.18  14.463% * 22.0300% (0.41   0.45   0.02) =  10.270%  kept
          HD21  ASN   28 - HN    LEU   73  10.84 +/- 2.21  20.425% *  9.8686% (0.98   0.08   1.06) =   6.497%  kept
          HZ2   TRP   87 - HN    LEU   73  11.67 +/- 3.70  20.471% *  2.3637% (0.99   0.02   0.02) =   1.560%  kept
          HN    ILE   56 - HN    LEU   73  16.16 +/- 3.40   5.724% *  0.7361% (0.31   0.02   0.02) =   0.136%  kept
    Distance limit 4.61 A violated in 12 structures by 1.86 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.43, residual support = 173.0:
      O   HA    LEU   73 - HN    LEU   73   2.89 +/- 0.04 100.000% *100.0000% (0.95  10.0   6.43 172.97) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.52, residual support = 44.2:
      O   HA    PHE   72 - HN    LEU   73   2.57 +/- 0.20 100.000% *100.0000% (0.53  10.0   5.52  44.16) = 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 = 0.671, support = 1.86, residual support = 2.14:
          HA    LEU   71 - HN    LEU   73   6.21 +/- 0.60  26.213% * 58.3284% (0.84   1.92   1.76) =  51.674%  kept
          HA    VAL   43 - HN    LEU   73   5.88 +/- 2.15  36.440% * 36.0393% (0.53   1.88   2.76) =  44.384%  kept
          HA    ALA   20 - HN    LEU   73   6.87 +/- 2.45  27.125% *  4.0520% (0.14   0.82   0.02) =   3.715%  kept
          HA    ASN   69 - HN    LEU   73  11.61 +/- 0.91   4.071% *  1.4364% (0.28   0.14   0.02) =   0.198%  kept
          HA    HIS   22 - HN    LEU   73  10.29 +/- 1.59   6.151% *  0.1438% (0.20   0.02   0.02) =   0.030%
    Distance limit 4.38 A violated in 0 structures by 0.43 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.126, support = 3.73, residual support = 7.95:
        T HN    CYS   21 - HN    LYS+  74   4.57 +/- 3.08  66.726% * 95.8247% (0.12 10.00   3.76   8.01) =  99.252%  kept
        T HN    ILE  119 - HN    LYS+  74  17.74 +/- 3.18  13.141% *  3.0978% (0.40 10.00   0.02   0.02) =   0.632%  kept
          HN    SER   37 - HN    LYS+  74  15.70 +/- 2.47   7.406% *  0.5176% (0.67  1.00   0.02   0.02) =   0.060%
          HN    ILE   89 - HN    LYS+  74  15.93 +/- 1.69   6.679% *  0.4381% (0.57  1.00   0.02   0.02) =   0.045%
          HN    LYS+  38 - HN    LYS+  74  16.21 +/- 2.41   6.047% *  0.1218% (0.16  1.00   0.02   0.02) =   0.011%
    Distance limit 4.25 A violated in 4 structures by 0.58 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.57, support = 4.26, residual support = 18.4:
        T HN    ILE   19 - HN    LYS+  74   5.85 +/- 3.87  38.475% * 73.0200% (0.54 10.00   3.38   8.38) =  69.461%  kept
          HN    LEU   73 - HN    LYS+  74   4.34 +/- 0.30  45.912% * 26.8754% (0.64  1.00   6.27  41.36) =  30.507%  kept
          HN    VAL   42 - HN    LYS+  74   8.11 +/- 1.76  14.852% *  0.0857% (0.64  1.00   0.02   0.02) =   0.031%
          HN    LYS+ 106 - HN    LYS+  74  17.82 +/- 2.18   0.761% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.67, residual support = 41.4:
      O   HA    LEU   73 - HN    LYS+  74   2.59 +/- 0.21 100.000% *100.0000% (0.68  10.0   5.67  41.36) = 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 = 6.1, residual support = 186.7:
      O   HA    LYS+  74 - HN    LYS+  74   2.88 +/- 0.03  93.481% * 99.4309% (0.20  10.0   6.10 186.67) =  99.993%  kept
          HA    VAL   41 - HN    LYS+  74   9.28 +/- 1.87   5.370% *  0.0708% (0.14   1.0   0.02   0.02) =   0.004%
          HA    MET   92 - HN    LYS+  74  15.03 +/- 2.04   0.760% *  0.3102% (0.61   1.0   0.02   0.02) =   0.003%
          HA    HIS  122 - HN    LYS+  74  19.64 +/- 3.41   0.389% *  0.1882% (0.37   1.0   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.671, support = 3.44, residual support = 6.3:
          HA    ALA   20 - HN    LYS+  74   4.16 +/- 3.60  75.612% * 88.0586% (0.68   3.56   6.57) =  95.809%  kept
          HA    LEU   71 - HN    LYS+  74   8.20 +/- 1.22  24.388% * 11.9414% (0.37   0.88   0.24) =   4.191%  kept
    Distance limit 3.78 A violated in 2 structures by 0.30 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.28, residual support = 31.8:
      O   HA    LYS+  74 - HN    VAL   75   2.23 +/- 0.08  98.963% * 99.7992% (0.61  10.0   6.28  31.83) =  99.999%  kept
          HA    MET   92 - HN    VAL   75  12.01 +/- 2.65   0.840% *  0.1642% (1.00   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    VAL   75  18.93 +/- 3.00   0.198% *  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  99.050% * 99.5538% (0.22  10.0   3.72  35.74) =  99.996%  kept
          HA    LEU   67 - HN    ASP-  76  14.60 +/- 2.09   0.950% *  0.4462% (1.00   1.0   0.02   0.02) =   0.004%
    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 = 19.9:
      O   HA    VAL  107 - HN    VAL  108   2.19 +/- 0.01  97.243% * 99.5919% (0.65  10.0   3.97  19.88) =  99.998%  kept
          HA    ALA   91 - HN    VAL  108  13.30 +/- 1.86   0.516% *  0.1233% (0.80   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HN    VAL  108   8.73 +/- 1.10   1.817% *  0.0305% (0.20   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    VAL  108  17.71 +/- 2.96   0.327% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  22.02 +/- 1.15   0.098% *  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 = 5.34, residual support = 27.6:
        T HN    ASP-  78 - HN    THR   77   2.69 +/- 0.12  91.326% * 96.7618% (0.98 10.00   5.35  27.63) =  99.703%  kept
          HN    VAL   75 - HN    THR   77   6.38 +/- 0.72   8.165% *  3.2209% (0.61  1.00   1.08   0.73) =   0.297%  kept
          HN    LYS+ 112 - HN    THR   77  16.61 +/- 2.35   0.509% *  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 = 5.35, residual support = 27.6:
        T HN    THR   77 - HN    ASP-  78   2.69 +/- 0.12 100.000% *100.0000% (1.00 10.00   5.35  27.63) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.88, residual support = 20.7:
        T HN    GLU-  79 - HN    ASP-  78   2.54 +/- 0.16  98.329% * 99.9158% (0.99 10.00   3.88  20.66) =  99.999%  kept
          HN    THR   94 - HN    ASP-  78  11.08 +/- 2.50   1.671% *  0.0842% (0.84  1.00   0.02   0.02) =   0.001%
    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 = 3.88, residual support = 20.7:
        T HN    ASP-  78 - HN    GLU-  79   2.54 +/- 0.16  97.142% * 99.4382% (0.56 10.00   3.88  20.66) =  99.983%  kept
          HN    VAL   75 - HN    GLU-  79   8.42 +/- 0.52   2.858% *  0.5618% (0.56  1.00   0.11   0.02) =   0.017%
    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 = 4.42, residual support = 56.2:
      O   HA    GLU-  79 - HN    GLU-  79   2.78 +/- 0.18  84.016% * 94.5854% (0.60  10.0   4.44  56.64) =  99.301%  kept
          HB    THR   77 - HN    GLU-  79   5.71 +/- 0.47  11.284% *  4.9289% (0.37   1.0   1.70   0.02) =   0.695%  kept
          HA    ASP-  44 - HN    GLU-  79  11.68 +/- 1.00   1.196% *  0.0502% (0.32   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  12.35 +/- 0.52   1.007% *  0.0579% (0.37   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    GLU-  79  18.08 +/- 4.25   0.560% *  0.0935% (0.60   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    GLU-  79  21.26 +/- 3.73   0.510% *  0.0954% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    GLU-  79  19.20 +/- 3.15   0.605% *  0.0693% (0.44   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    GLU-  79  18.57 +/- 4.77   0.444% *  0.0729% (0.47   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  26.12 +/- 7.35   0.377% *  0.0465% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0824, support = 3.84, residual support = 20.6:
      O   HA    ASP-  78 - HN    GLU-  79   3.58 +/- 0.08  89.169% * 98.7485% (0.08  10.0   3.84  20.66) =  99.922%  kept
          HA    PHE   45 - HN    GLU-  79   8.79 +/- 1.74   8.150% *  0.7232% (0.60   1.0   0.02   0.02) =   0.067%
          HA    VAL   41 - HN    GLU-  79  15.61 +/- 2.83   2.379% *  0.3839% (0.32   1.0   0.02   0.02) =   0.010%
          HA    HIS  122 - HN    GLU-  79  25.34 +/- 3.02   0.302% *  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 = 10.7:
      O   HA    ASP-  76 - HN    THR   77   2.31 +/- 0.04  99.635% * 99.8354% (0.53  10.0   4.53  10.68) =  99.999%  kept
          HA    LEU   67 - HN    THR   77  16.51 +/- 2.27   0.365% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.573, support = 1.14, residual support = 1.95:
          HA    ALA   47 - HN    THR   77   7.97 +/- 3.46  41.608% * 88.5684% (0.57   1.17   2.01) =  97.027%  kept
          HA    CYS   50 - HN    THR   77  12.51 +/- 3.96  13.859% *  2.6125% (0.98   0.02   0.02) =   0.953%  kept
          HA    CYS   21 - HN    THR   77  13.41 +/- 2.71  15.394% *  1.8308% (0.69   0.02   0.02) =   0.742%  kept
          HA    TRP   49 - HN    THR   77  12.89 +/- 3.15   9.402% *  2.3120% (0.87   0.02   0.02) =   0.572%  kept
          HA1   GLY  109 - HN    THR   77  18.40 +/- 3.03   4.132% *  2.5722% (0.97   0.02   0.02) =   0.280%  kept
          HA    VAL  108 - HN    THR   77  15.77 +/- 2.92   6.867% *  1.1949% (0.45   0.02   0.02) =   0.216%  kept
          HA    LYS+ 102 - HN    THR   77  20.31 +/- 2.71   8.738% *  0.9092% (0.34   0.02   0.02) =   0.209%  kept
    Distance limit 4.49 A violated in 11 structures by 2.75 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.444, support = 0.941, residual support = 7.48:
          HA    THR   46 - HN    THR   77   7.48 +/- 3.11  41.285% * 39.1502% (0.25   1.19  10.98) =  67.332%  kept
          HA    VAL   42 - HN    THR   77  13.11 +/- 1.09  13.372% * 53.6174% (0.87   0.47   0.29) =  29.868%  kept
          HA    GLN   90 - HN    THR   77   9.94 +/- 2.88  22.529% *  1.8146% (0.69   0.02   0.02) =   1.703%  kept
          HA    SER   37 - HN    THR   77  24.07 +/- 4.22   9.827% *  0.8154% (0.31   0.02   0.02) =   0.334%  kept
          HA    ALA  110 - HN    THR   77  17.73 +/- 3.98   4.898% *  1.4956% (0.57   0.02   0.02) =   0.305%  kept
          HA    PHE   55 - HN    THR   77  17.98 +/- 4.41   2.995% *  2.2915% (0.87   0.02   0.02) =   0.286%  kept
          HA    GLN   17 - HN    THR   77  18.50 +/- 4.08   5.094% *  0.8154% (0.31   0.02   0.02) =   0.173%  kept
    Distance limit 4.39 A violated in 10 structures by 2.23 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   3.31 +/- 0.36  78.201% * 97.2283% (0.76  10.0   4.03  37.50) =  99.748%  kept
          HA    GLU-  79 - HN    THR   77   6.95 +/- 0.31   9.097% *  1.9837% (0.28   1.0   1.12   0.02) =   0.237%  kept
          HA    ASP-  44 - HN    THR   77   9.00 +/- 1.75   5.323% *  0.1063% (0.84   1.0   0.02   0.02) =   0.007%
          HA    SER   85 - HN    THR   77  12.41 +/- 1.12   1.785% *  0.0972% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ASP-  86 - HN    THR   77  14.15 +/- 1.13   1.150% *  0.1019% (0.80   1.0   0.02   0.02) =   0.002%
          HA    MET   11 - HN    THR   77  26.19 +/- 7.39   0.754% *  0.1104% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ALA   12 - HN    THR   77  25.02 +/- 6.36   0.455% *  0.1063% (0.84   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    THR   77  17.91 +/- 2.21   0.564% *  0.0823% (0.65   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    THR   77  22.14 +/- 4.40   0.376% *  0.0924% (0.73   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  15.58 +/- 3.68   1.312% *  0.0196% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  20.40 +/- 2.38   0.429% *  0.0434% (0.34   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  20.45 +/- 3.03   0.554% *  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 = 0.646, support = 5.49, residual support = 38.9:
        T HN    LEU   80 - HN    LYS+  81   3.19 +/- 0.65  85.907% * 94.5576% (0.65 10.00   5.52  39.16) =  99.368%  kept
          HN    SER   85 - HN    LYS+  81   6.59 +/- 0.22  12.309% *  4.1432% (0.45  1.00   1.26   0.02) =   0.624%  kept
        T HN    ALA   34 - HN    LYS+  81  19.23 +/- 4.14   0.469% *  1.1171% (0.76 10.00   0.02   0.02) =   0.006%
          HN    GLN   32 - HN    LYS+  81  17.33 +/- 4.84   0.721% *  0.1221% (0.84  1.00   0.02   0.02) =   0.001%
          HN    CYS   53 - HN    LYS+  81  19.81 +/- 3.52   0.594% *  0.0601% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 13.1:
        T HN    SER   82 - HN    LYS+  81   2.67 +/- 0.15  97.584% * 99.8569% (1.00 10.00   4.26  13.06) =  99.999%  kept
          HN    GLN   90 - HN    LYS+  81  11.43 +/- 1.33   1.406% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    LYS+  81  19.37 +/- 3.55   0.691% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.27 +/- 4.94   0.193% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  25.12 +/- 1.46   0.126% *  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 = 0.695, support = 5.64, residual support = 37.9:
      O   HA    LEU   80 - HN    LYS+  81   2.76 +/- 0.42  72.522% * 88.6716% (0.69  10.0   5.78  39.16) =  96.809%  kept
          HA    ASP-  78 - HN    LYS+  81   5.09 +/- 1.33  22.385% *  9.1584% (0.95   1.0   1.50   0.65) =   3.086%  kept
          HA    THR   23 - HN    LYS+  81  11.13 +/- 5.96   3.311% *  2.0661% (0.98   1.0   0.33   0.02) =   0.103%  kept
          HB    THR   23 - HN    LYS+  81  12.91 +/- 5.87   1.564% *  0.0679% (0.53   1.0   0.02   0.02) =   0.002%
          HA    ASP- 105 - HN    LYS+  81  21.38 +/- 2.55   0.217% *  0.0359% (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 = 5.35, residual support = 104.7:
      O   HA    LYS+  81 - HN    LYS+  81   2.78 +/- 0.05  97.931% * 99.7055% (0.99  10.0   5.35 104.66) =  99.999%  kept
          HA    ASN   28 - HN    LYS+  81  13.42 +/- 4.76   1.269% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  25.15 +/- 4.33   0.229% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  21.23 +/- 3.29   0.288% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  32.73 +/- 2.95   0.065% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  21.78 +/- 1.71   0.218% *  0.0199% (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 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.9, residual support = 33.3:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  96.328% * 98.7108% (0.25  10.0   3.90  33.29) =  99.989%  kept
          HA    GLU-  25 - HN    SER   82  12.68 +/- 5.80   2.104% *  0.3170% (0.80   1.0   0.02   0.02) =   0.007%
          HA    ILE   19 - HN    SER   82  19.72 +/- 4.34   0.333% *  0.3820% (0.97   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  15.61 +/- 5.41   0.839% *  0.1486% (0.38   1.0   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    SER   82  21.47 +/- 3.56   0.266% *  0.3880% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    SER   82  25.46 +/- 1.33   0.129% *  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 = 0.305, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    SER   82  20.84 +/- 2.55  32.555% * 67.5049% (0.41   0.02   0.02) =  50.068%  kept
          HB    THR   23 - HN    SER   82  13.72 +/- 6.11  67.445% * 32.4951% (0.20   0.02   0.02) =  49.932%  kept
    Distance limit 4.37 A violated in 20 structures by 8.15 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 = 19.4:
        T HN    VAL   83 - HN    SER   82   2.66 +/- 0.12  99.577% * 99.9274% (1.00 10.00   5.62  19.38) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  19.12 +/- 3.51   0.423% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.26, residual support = 13.1:
          HN    LYS+  81 - HN    SER   82   2.67 +/- 0.15  97.914% * 99.2965% (1.00   4.26  13.06) =  99.996%  kept
          QD    PHE   60 - HN    SER   82  17.31 +/- 2.67   0.463% *  0.3738% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   27 - HN    SER   82  13.12 +/- 4.32   1.241% *  0.1039% (0.22   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    SER   82  22.29 +/- 1.59   0.179% *  0.1441% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.84 +/- 3.21   0.203% *  0.0818% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.54, residual support = 41.4:
        T HN    ALA   84 - HN    VAL   83   2.62 +/- 0.10  98.997% * 99.6823% (0.75 10.00   7.54  41.40) =  99.999%  kept
          HE21  GLN   32 - HN    VAL   83  18.78 +/- 5.11   0.376% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.90 +/- 2.30   0.195% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  20.03 +/- 1.69   0.239% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  22.50 +/- 2.97   0.193% *  0.0730% (0.55  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 = 19.4:
        T HN    SER   82 - HN    VAL   83   2.66 +/- 0.12  97.015% * 99.8569% (0.75 10.00   5.62  19.38) =  99.999%  kept
          HN    GLN   90 - HN    VAL   83  10.56 +/- 1.01   1.779% *  0.0375% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ILE  103 - HN    VAL   83  15.97 +/- 3.75   0.904% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.76 +/- 4.57   0.160% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  24.11 +/- 1.41   0.142% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.82 +/- 0.06  97.377% * 99.8725% (0.99 10.00   3.77  20.67) =  99.999%  kept
          HN    GLN   32 - HN    ALA   84  16.97 +/- 4.27   0.585% *  0.0874% (0.87  1.00   0.02   0.02) =   0.001%
          HN    THR   94 - HN    ALA   84  11.26 +/- 0.96   1.641% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  18.75 +/- 3.28   0.397% *  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 = 7.54, residual support = 41.4:
        T HN    VAL   83 - HN    ALA   84   2.62 +/- 0.10  99.468% * 99.9274% (1.00 10.00   7.54  41.40) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  17.26 +/- 3.09   0.532% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    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 = 5.52:
          HA    LYS+  81 - HN    ALA   84   3.29 +/- 0.28  94.984% * 95.6713% (0.80   2.25   5.52) =  99.972%  kept
          HA    ASN   28 - HN    ALA   84  13.12 +/- 4.59   2.270% *  0.5179% (0.49   0.02   0.02) =   0.013%
          HA    ARG+  54 - HN    ALA   84  20.78 +/- 3.12   0.440% *  1.0268% (0.97   0.02   0.02) =   0.005%
          HA    LEU  115 - HN    ALA   84  19.37 +/- 1.53   0.521% *  0.4770% (0.45   0.02   0.02) =   0.003%
          HA    GLU-  36 - HN    ALA   84  24.61 +/- 3.19   0.339% *  0.7308% (0.69   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    ALA   84  20.05 +/- 2.89   0.604% *  0.3284% (0.31   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ALA   84  19.09 +/- 3.15   0.720% *  0.1863% (0.18   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   84  30.95 +/- 2.77   0.123% *  1.0616% (1.00   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 = 0.466, support = 0.02, residual support = 0.02:
          HA    GLU-  25 - HN    VAL   83  12.38 +/- 5.68  36.864% * 13.1508% (0.34   0.02   0.02) =  31.019%  kept
          HA    THR   26 - HN    VAL   83  15.06 +/- 5.33  17.542% * 21.2999% (0.55   0.02   0.02) =  23.908%  kept
          HA    CYS   53 - HN    VAL   83  20.57 +/- 3.58  11.502% * 27.0775% (0.70   0.02   0.02) =  19.927%  kept
          HA    ILE   19 - HN    VAL   83  18.78 +/- 4.16   9.048% * 20.1488% (0.52   0.02   0.02) =  11.665%  kept
          HA1   GLY  101 - HN    VAL   83  18.31 +/- 3.51  17.596% *  7.3142% (0.19   0.02   0.02) =   8.235%  kept
          HA    GLU- 114 - HN    VAL   83  23.86 +/- 1.34   7.448% * 11.0089% (0.28   0.02   0.02) =   5.246%  kept
    Distance limit 4.36 A violated in 20 structures by 6.05 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.574, support = 2.58, residual support = 5.09:
        T HN    SER   85 - HN    VAL   83   4.26 +/- 0.07  60.097% * 97.9507% (0.58 10.00   2.59   5.14) =  98.991%  kept
          HN    LEU   80 - HN    VAL   83   5.16 +/- 0.60  36.319% *  1.6395% (0.26  1.00   0.75   0.12) =   1.001%  kept
          HN    GLN   32 - HN    VAL   83  15.55 +/- 4.55   1.780% *  0.1279% (0.75  1.00   0.02   0.02) =   0.004%
        T HN    CYS   53 - HN    VAL   83  20.79 +/- 3.34   0.719% *  0.2245% (0.13 10.00   0.02   0.02) =   0.003%
          HN    ALA   34 - HN    VAL   83  17.48 +/- 3.44   1.086% *  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 = 4.19, residual support = 10.3:
          HN    SER   82 - HN    ALA   84   3.91 +/- 0.12  87.103% * 99.2228% (0.87   4.19  10.28) =  99.948%  kept
          HN    GLN   90 - HN    ALA   84   8.25 +/- 1.03  10.643% *  0.3752% (0.69   0.02   0.02) =   0.046%
          HN    ILE  103 - HN    ALA   84  16.14 +/- 3.44   1.847% *  0.2659% (0.49   0.02   0.02) =   0.006%
          HN    GLY   16 - HN    ALA   84  24.53 +/- 4.42   0.407% *  0.1362% (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 = 13.4:
          HN    ASP-  86 - HN    SER   85   2.45 +/- 0.10  98.808% * 97.4522% (0.80   3.33  13.44) =  99.994%  kept
          HN    GLN   30 - HN    SER   85  17.61 +/- 4.25   0.335% *  0.6345% (0.87   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    SER   85  18.50 +/- 2.36   0.263% *  0.4732% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  29 - HN    SER   85  17.20 +/- 4.58   0.377% *  0.2745% (0.38   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    SER   85  23.53 +/- 3.86   0.145% *  0.5311% (0.73   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    SER   85  29.42 +/- 4.28   0.071% *  0.6345% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.82 +/- 0.06  93.848% * 97.8180% (0.90   3.77  20.67) =  99.988%  kept
          HD21  ASN   28 - HN    SER   85  12.24 +/- 4.99   2.075% *  0.1786% (0.31   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HN    SER   85   8.95 +/- 0.62   3.082% *  0.1013% (0.18   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    SER   85  20.68 +/- 2.63   0.281% *  0.5190% (0.90   0.02   0.02) =   0.002%
          HN    LEU   63 - HN    SER   85  21.67 +/- 2.04   0.225% *  0.5342% (0.92   0.02   0.02) =   0.001%
          HN    ILE   56 - HN    SER   85  22.92 +/- 2.72   0.209% *  0.5672% (0.98   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    SER   85  21.42 +/- 4.77   0.279% *  0.2817% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.59, residual support = 5.14:
        T HN    VAL   83 - HN    SER   85   4.26 +/- 0.07  98.324% * 99.9526% (0.87 10.00   2.59   5.14) =  99.999%  kept
          HN    CYS   50 - HN    SER   85  18.87 +/- 3.20   1.676% *  0.0474% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.984, support = 3.65, residual support = 18.0:
      O   HA    SER   85 - HN    SER   85   2.83 +/- 0.02  78.031% * 92.5555% (0.99  10.0   3.65  18.03) =  98.610%  kept
          HA    ASP-  86 - HN    SER   85   4.93 +/- 0.08  14.809% *  6.8360% (0.45   1.0   3.27  13.44) =   1.382%  kept
          HB    THR   77 - HN    SER   85   9.02 +/- 1.57   3.096% *  0.0926% (0.99   1.0   0.02   0.02) =   0.004%
          HA    GLU-  79 - HN    SER   85  10.05 +/- 0.88   1.929% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  13.15 +/- 1.10   0.833% *  0.0934% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    SER   85  16.44 +/- 2.99   0.513% *  0.0883% (0.95   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    SER   85  32.53 +/- 7.35   0.088% *  0.0932% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  23.32 +/- 2.55   0.162% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  22.62 +/- 2.96   0.190% *  0.0384% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  31.68 +/- 6.04   0.083% *  0.0455% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  28.74 +/- 4.23   0.090% *  0.0350% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  22.86 +/- 2.86   0.173% *  0.0164% (0.18   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 = 0.575, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  18.49 +/- 4.72  10.296% * 23.1039% (0.98   0.02   0.02) =  24.434%  kept
          HA    CYS   53 - HN    SER   85  20.77 +/- 3.14   9.701% * 14.2963% (0.61   0.02   0.02) =  14.246%  kept
          HA1   GLY  101 - HN    SER   85  19.68 +/- 2.88  10.295% * 13.3446% (0.57   0.02   0.02) =  14.112%  kept
          HA    ASN   28 - HN    SER   85  14.54 +/- 4.61  22.914% *  5.2476% (0.22   0.02   0.02) =  12.352%  kept
          HA    GLU- 114 - HN    SER   85  23.24 +/- 1.42   5.829% * 17.1158% (0.73   0.02   0.02) =  10.249%  kept
          HA    GLU-  25 - HN    SER   85  15.50 +/- 5.13  19.491% *  4.1279% (0.18   0.02   0.02) =   8.265%  kept
          HA    ALA   34 - HN    SER   85  21.69 +/- 2.66   6.738% *  8.8463% (0.38   0.02   0.02) =   6.122%  kept
          HA    LEU  115 - HN    SER   85  20.55 +/- 1.44   8.775% *  5.8774% (0.25   0.02   0.02) =   5.298%  kept
          HA    ILE   19 - HN    SER   85  22.04 +/- 3.79   5.962% *  8.0401% (0.34   0.02   0.02) =   4.924%  kept
    Distance limit 3.92 A violated in 20 structures by 7.75 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.45 +/- 0.10  98.581% * 99.7141% (0.99 10.00   3.33  13.44) =  99.999%  kept
        T HN    ALA   34 - HN    ASP-  86  19.14 +/- 3.23   0.239% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  17.20 +/- 4.48   0.384% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  12.81 +/- 0.88   0.796% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.935, support = 3.71, residual support = 22.7:
          HN    TRP   87 - HN    ASP-  86   2.72 +/- 0.06  94.820% * 74.1192% (0.95   3.71  22.68) =  98.283%  kept
          HE3   TRP   87 - HN    ASP-  86   7.34 +/- 0.22   4.892% * 25.0696% (0.31   3.85  22.68) =   1.715%  kept
          HD21  ASN   69 - HN    ASP-  86  23.95 +/- 2.67   0.158% *  0.3898% (0.92   0.02   0.02) =   0.001%
          HN    GLN   17 - HN    ASP-  86  25.57 +/- 4.04   0.131% *  0.4214% (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 = 0.808, support = 4.1, residual support = 40.1:
      O   HA    ASP-  86 - HN    ASP-  86   2.74 +/- 0.04  60.416% * 79.7150% (0.87  10.0   4.16  42.54) =  91.438%  kept
      O   HA    SER   85 - HN    ASP-  86   3.54 +/- 0.03  28.126% * 14.1794% (0.15  10.0   3.26  13.44) =   7.572%  kept
          HA    TRP   87 - HN    ASP-  86   5.22 +/- 0.16   8.974% *  5.8025% (0.28   1.0   4.54  22.68) =   0.989%  kept
          HA    LEU  104 - HN    ASP-  86  17.50 +/- 3.09   0.309% *  0.0887% (0.97   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ASP-  86  10.44 +/- 1.49   1.353% *  0.0142% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  12.82 +/- 1.02   0.637% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.38 +/- 4.18   0.066% *  0.0848% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  31.48 +/- 5.92   0.058% *  0.0768% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  32.34 +/- 7.20   0.061% *  0.0205% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 22.7:
          HN    ASP-  86 - HN    TRP   87   2.72 +/- 0.06  97.939% * 98.4399% (1.00   3.71  22.68) =  99.993%  kept
          HN    GLN   30 - HN    TRP   87  17.18 +/- 4.20   0.518% *  0.5305% (1.00   0.02   0.02) =   0.003%
          HN    GLU-  29 - HN    TRP   87  17.20 +/- 4.46   0.532% *  0.3861% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  99 - HN    TRP   87  15.30 +/- 2.10   0.600% *  0.1641% (0.31   0.02   0.02) =   0.001%
          HE1   HIS  122 - HN    TRP   87  21.02 +/- 4.32   0.304% *  0.1996% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  14 - HN    TRP   87  28.77 +/- 4.16   0.106% *  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 = 0.813, support = 3.94, residual support = 64.4:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.01  64.428% * 78.1363% (0.90  10.0   4.03  70.65) =  87.019%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.61 +/- 0.01  34.564% * 21.7248% (0.25  10.0   3.39  22.68) =  12.980%  kept
          HA    LEU  104 - HN    TRP   87  15.63 +/- 3.02   0.614% *  0.0598% (0.69   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    TRP   87  20.75 +/- 3.08   0.231% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  28.12 +/- 4.03   0.089% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  31.53 +/- 5.59   0.074% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.295, support = 1.88, residual support = 70.5:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  84.658% * 69.3369% (0.28  10.0   1.87  70.65) =  96.216%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   9.439% * 23.1978% (0.73   1.0   2.39  70.65) =   3.589%  kept
          HN    TRP   27 - HE1   TRP   87  12.82 +/- 5.16   1.578% *  6.8601% (0.90   1.0   0.57   5.71) =   0.177%  kept
          HN    ALA   91 - HE1   TRP   87  10.93 +/- 1.55   3.660% *  0.2649% (0.99   1.0   0.02   0.02) =   0.016%
          HN    ALA   61 - HE1   TRP   87  17.36 +/- 2.33   0.340% *  0.2579% (0.97   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HE1   TRP   87  17.72 +/- 2.84   0.326% *  0.0825% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 2.0, residual support = 5.7:
          HZ2   TRP   27 - HE1   TRP   87   6.79 +/- 5.24  74.343% * 99.7535% (0.80   2.00   5.71) =  99.915%  kept
          HZ    PHE   72 - HE1   TRP   87  13.56 +/- 1.94  25.657% *  0.2465% (0.20   0.02   0.02) =   0.085%
    Distance limit 4.29 A violated in 7 structures by 3.09 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.311, support = 2.84, residual support = 4.71:
      O   HA    TRP   87 - HN    ALA   88   3.29 +/- 0.09  32.547% * 88.7237% (0.28  10.0   2.97   4.99) =  94.301%  kept
          HA    ASP-  86 - HN    ALA   88   4.10 +/- 0.25  16.898% * 10.1746% (0.87   1.0   0.74   0.02) =   5.614%  kept
          HA    SER   85 - HN    ALA   88   3.00 +/- 0.86  47.647% *  0.0492% (0.15   1.0   0.02   0.02) =   0.077%
          HA    LEU  104 - HN    ALA   88  16.68 +/- 2.74   0.309% *  0.3080% (0.97   1.0   0.02   0.02) =   0.003%
          HB    THR   77 - HN    ALA   88  10.68 +/- 1.92   1.729% *  0.0492% (0.15   1.0   0.02   0.02) =   0.003%
          HA    ASP-  44 - HN    ALA   88  12.33 +/- 1.33   0.736% *  0.0632% (0.20   1.0   0.02   0.02) =   0.002%
          HA    GLU-  14 - HN    ALA   88  29.81 +/- 3.85   0.051% *  0.2946% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  33.17 +/- 5.41   0.041% *  0.2665% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  34.04 +/- 6.70   0.042% *  0.0710% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.601, support = 0.84, residual support = 17.7:
          HA    TRP   87 - HN    ILE   89   4.25 +/- 0.22  73.629% * 76.8305% (0.61   0.88  18.94) =  93.461%  kept
          HA    ASP-  86 - HN    ILE   89   6.39 +/- 0.32  23.092% * 16.8782% (0.53   0.22   0.02) =   6.439%  kept
          HA    LEU  104 - HN    ILE   89  16.12 +/- 2.53   1.744% *  2.7131% (0.95   0.02   0.02) =   0.078%
          HA    GLU-  14 - HN    ILE   89  28.85 +/- 3.81   0.288% *  1.7396% (0.61   0.02   0.02) =   0.008%
          HA    PHE   59 - HN    ILE   89  19.66 +/- 3.25   1.012% *  0.4425% (0.15   0.02   0.02) =   0.007%
          HA    ALA   12 - HN    ILE   89  32.34 +/- 5.29   0.234% *  1.3960% (0.49   0.02   0.02) =   0.005%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.5:
          HN    ALA   91 - HN    GLN   90   2.11 +/- 0.36  98.251% * 99.1369% (0.92   6.75  32.52) =  99.995%  kept
          HE3   TRP   87 - HN    GLN   90  10.06 +/- 0.29   1.173% *  0.3072% (0.97   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    GLN   90  18.22 +/- 2.83   0.266% *  0.3072% (0.97   0.02   0.02) =   0.001%
          HN    TRP   27 - HN    GLN   90  18.93 +/- 3.73   0.236% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  26.39 +/- 3.65   0.073% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.394, support = 5.29, residual support = 83.6:
      O   HA    GLN   90 - HN    GLN   90   2.81 +/- 0.11  77.818% * 68.5420% (0.34  10.0   5.48  89.25) =  89.990%  kept
          HA    ALA   91 - HN    GLN   90   4.57 +/- 0.38  19.124% * 31.0042% (0.87   1.0   3.56  32.52) =  10.004%  kept
          HA    VAL  107 - HN    GLN   90  12.76 +/- 1.60   1.027% *  0.1939% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ALA  110 - HN    GLN   90  12.98 +/- 3.46   1.427% *  0.0901% (0.45   1.0   0.02   0.02) =   0.002%
          HA    TRP   27 - HN    GLN   90  18.87 +/- 3.50   0.305% *  0.1300% (0.65   1.0   0.02   0.02) =   0.001%
          HA    PHE   55 - HN    GLN   90  20.06 +/- 3.34   0.300% *  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 = 89.2:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00  99.949% * 99.0596% (0.92  10.0 10.00   1.00  89.25) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  27.37 +/- 4.06   0.031% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  31.17 +/- 4.71   0.020% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 89.2:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  97.589% * 99.4024% (0.76  10.0   1.00  89.25) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   7.56 +/- 0.98   1.466% *  0.0646% (0.25   1.0   0.02   3.38) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  16.98 +/- 3.89   0.595% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  28.90 +/- 3.83   0.025% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  23.05 +/- 3.70   0.053% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  25.61 +/- 4.24   0.041% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  27.37 +/- 4.06   0.030% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  18.58 +/- 2.20   0.093% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  24.69 +/- 3.92   0.046% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  29.82 +/- 2.46   0.021% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  30.51 +/- 4.31   0.023% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  32.83 +/- 3.81   0.017% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.5:
        T HN    GLN   90 - HN    ALA   91   2.11 +/- 0.36  91.288% * 99.6698% (0.95 10.00   6.75  32.52) =  99.995%  kept
          HN    GLY  109 - HN    ALA   91   9.61 +/- 3.24   6.388% *  0.0554% (0.53  1.00   0.02   0.02) =   0.004%
        T HN    GLN   90 - HN    TRP   27  18.93 +/- 3.73   0.218% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.39 +/- 1.75   0.175% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.77 +/- 1.19   0.621% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.41 +/- 3.81   0.252% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  12.88 +/- 5.44   0.964% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  23.89 +/- 2.55   0.094% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.475, support = 0.02, residual support = 6.49:
          HA    LEU   73 - HN    ALA   91  18.04 +/- 2.44  22.063% * 89.0027% (0.65   0.02   0.02) =  69.614%  kept
          HA    LEU   73 - HN    TRP   27   9.13 +/- 2.47  77.937% * 10.9973% (0.08   0.02  21.30) =  30.386%  kept
    Distance limit 4.48 A violated in 20 structures by 4.32 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.893, support = 2.75, residual support = 23.3:
      O   HA    ALA   91 - HN    ALA   91   2.90 +/- 0.02  44.730% * 89.2967% (1.00  10.0   2.45  12.87) =  88.097%  kept
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.04  51.580% * 10.4606% (0.12  10.0   4.94 100.77) =  11.901%  kept
          HA    VAL  107 - HN    ALA   91  12.64 +/- 1.59   0.647% *  0.0847% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    ALA   91  11.78 +/- 3.80   1.955% *  0.0157% (0.18   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA   91  16.90 +/- 3.75   0.482% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  19.92 +/- 3.04   0.161% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  20.78 +/- 3.63   0.162% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.37 +/- 1.00   0.100% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.22 +/- 3.77   0.105% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  25.84 +/- 3.46   0.080% *  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 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 61.2:
      O   HA    MET   92 - HN    MET   92   2.48 +/- 0.25  95.988% * 99.1845% (0.25  10.0   4.21  61.21) =  99.995%  kept
          HA    PHE   45 - HN    MET   92   8.43 +/- 1.41   3.669% *  0.0992% (0.25   1.0   0.02   0.02) =   0.004%
          HA    VAL   41 - HN    MET   92  20.19 +/- 1.09   0.192% *  0.3185% (0.80   1.0   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    MET   92  23.94 +/- 2.38   0.150% *  0.3978% (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 = 3.0, residual support = 9.26:
      O   HA    ALA   91 - HN    MET   92   2.28 +/- 0.11  95.376% * 99.6892% (0.80  10.0   3.00   9.26) =  99.997%  kept
          HA    PRO   52 - HN    MET   92  13.86 +/- 4.42   2.852% *  0.0855% (0.69   1.0   0.02   0.02) =   0.003%
          HA    VAL  107 - HN    MET   92  13.98 +/- 0.92   0.434% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.52 +/- 3.22   1.161% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  20.47 +/- 3.00   0.177% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.945, support = 3.3, residual support = 27.1:
        T HN    PHE   45 - HN    THR   94   3.21 +/- 0.70  91.457% * 99.1619% (0.95 10.00   3.30  27.16) =  99.921%  kept
          HN    ALA  110 - HN    THR   94   9.77 +/- 2.90   8.543% *  0.8381% (1.00  1.00   0.16   0.02) =   0.079%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   9.46 +/- 0.74 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.41 A violated in 20 structures by 5.05 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.07, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.19 +/- 0.06  97.674% * 99.9112% (0.22  10.0   4.07  15.60) =  99.998%  kept
          HA    ASP-  76 - HN    THR   94   9.65 +/- 3.06   2.326% *  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 = 0.944, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.93 +/- 0.35  78.811% * 54.6147% (1.00   0.02   0.02) =  87.077%  kept
          HA    LYS+  74 - HN    THR   94  10.56 +/- 1.85  18.112% * 33.1992% (0.61   0.02   0.02) =  12.165%  kept
          HA    HIS  122 - HN    THR   94  18.25 +/- 1.92   3.077% * 12.1862% (0.22   0.02   0.02) =   0.759%  kept
    Distance limit 3.82 A violated in 20 structures by 2.05 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.1, residual support = 43.1:
          HN    VAL  107 - HN    PHE   95   3.95 +/- 0.88  97.498% * 99.0985% (0.97   2.10  43.16) =  99.977%  kept
          HN    GLY   51 - HN    PHE   95  15.69 +/- 2.00   2.502% *  0.9015% (0.92   0.02   0.02) =   0.023%
    Distance limit 4.02 A violated in 1 structures by 0.23 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.4:
          QD    PHE   95 - HN    PHE   95   2.91 +/- 0.65  93.867% * 99.3368% (0.87   3.86  73.45) =  99.979%  kept
          HN    ALA   47 - HN    PHE   95  10.49 +/- 1.42   2.955% *  0.5151% (0.87   0.02   0.02) =   0.016%
          QE    PHE   72 - HN    PHE   95  10.24 +/- 1.70   3.178% *  0.1481% (0.25   0.02   0.02) =   0.005%
    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 = 4.32, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.32  73.45) = 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 = 14.9:
      O   HA    THR   94 - HN    PHE   95   2.30 +/- 0.13  97.765% * 99.8515% (0.65  10.0   3.16  14.94) =  99.999%  kept
          HA    LYS+  74 - HN    PHE   95  12.56 +/- 1.53   0.702% *  0.1180% (0.76   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HN    PHE   95   9.25 +/- 0.28   1.532% *  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 = 3.98, residual support = 11.9:
      O   HA    PHE   95 - HN    MET   96   2.20 +/- 0.02 100.000% *100.0000% (0.95  10.0   3.98  11.94) = 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 +/- 0.01  96.389% * 99.9800% (0.94  10.0   4.09 115.38) =  99.999%  kept
          HA    PHE   72 - HN    MET   96  10.00 +/- 1.93   3.611% *  0.0200% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.89, residual support = 59.2:
        T HN    ASP- 105 - HN    PHE   97   3.23 +/- 0.72  97.740% * 99.9802% (1.00 10.00   4.89  59.15) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  12.94 +/- 1.48   2.260% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.8, support = 4.06, residual support = 62.2:
          QD    PHE   97 - HN    PHE   97   2.66 +/- 0.65  84.477% * 98.9854% (0.80   4.06  62.25) =  99.902%  kept
          HZ3   TRP   87 - HN    PHE   97   8.19 +/- 3.22  15.278% *  0.5276% (0.87   0.02   0.02) =   0.096%
          HE3   TRP   49 - HN    PHE   97  21.43 +/- 2.10   0.245% *  0.4870% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.18, residual support = 11.8:
          HA    LYS+ 106 - HN    PHE   97   3.62 +/- 0.75 100.000% *100.0000% (0.98   3.18  11.80) = 100.000%  kept
    Distance limit 4.38 A violated in 0 structures by 0.11 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 44.2:
      O   HA    MET   96 - HN    PHE   97   2.27 +/- 0.07  99.080% * 99.9800% (0.99  10.0   6.07  44.15) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  11.55 +/- 1.64   0.920% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.42, residual support = 24.1:
        T HN    VAL   41 - HN    LEU   98   4.61 +/- 1.39 100.000% *100.0000% (0.69 10.00   5.42  24.06) = 100.000%  kept
    Distance limit 4.01 A violated in 7 structures by 0.89 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.05, residual support = 77.3:
      O   HA    LEU   98 - HN    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.05  77.33) = 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   2.23 +/- 0.07 100.000% *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 = 0.485, support = 1.42, residual support = 4.7:
          HA    VAL   42 - HN    LEU   98   3.90 +/- 1.20  61.444% * 24.9984% (0.45   0.87   0.42) =  51.778%  kept
          HA    LEU   40 - HN    LEU   98   6.03 +/- 1.07  20.622% * 68.5278% (0.53   2.04   9.40) =  47.638%  kept
          HA    PRO   58 - HN    LEU   98  16.69 +/- 4.37  12.567% *  0.8788% (0.69   0.02   0.02) =   0.372%  kept
          HA    THR   46 - HN    LEU   98  15.64 +/- 1.08   1.547% *  1.2680% (0.99   0.02   0.02) =   0.066%
          HA    SER   37 - HN    LEU   98  15.14 +/- 1.39   1.284% *  1.2346% (0.97   0.02   0.02) =   0.053%
          HA    GLN   17 - HN    LEU   98  16.48 +/- 3.38   1.188% *  1.2346% (0.97   0.02   0.02) =   0.049%
          HA    GLU-  15 - HN    LEU   98  18.04 +/- 3.75   0.864% *  0.9290% (0.73   0.02   0.02) =   0.027%
          HA    SER   13 - HN    LEU   98  23.18 +/- 3.40   0.485% *  0.9290% (0.73   0.02   0.02) =   0.015%
    Distance limit 4.48 A violated in 1 structures by 0.13 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.843, support = 1.16, residual support = 1.47:
          HN    LYS+ 102 - HN    LYS+  99   3.67 +/- 0.54  66.957% * 59.6388% (0.95   0.88   1.62) =  86.639%  kept
          HN    ASP- 105 - HN    LYS+  99   6.25 +/- 0.47  16.141% * 37.8279% (0.18   3.01   0.44) =  13.248%  kept
          HN    GLU-  36 - HN    LYS+  99  13.44 +/- 2.06   1.708% *  1.1493% (0.80   0.02   0.02) =   0.043%
          HN    THR   39 - HN    LYS+  99  10.74 +/- 1.39   3.436% *  0.5387% (0.38   0.02   0.02) =   0.040%
          HD1   TRP   87 - HN    LYS+  99  14.40 +/- 2.03   1.386% *  0.5901% (0.41   0.02   0.02) =   0.018%
          HN    GLU-  36 - HN    GLN   30   9.54 +/- 0.48   4.292% *  0.0755% (0.05   0.02   0.02) =   0.007%
          HN    LYS+ 102 - HN    GLN   30  16.36 +/- 4.32   1.223% *  0.0892% (0.06   0.02   0.02) =   0.002%
          HN    THR   39 - HN    GLN   30  11.10 +/- 0.92   2.800% *  0.0354% (0.02   0.02   0.02) =   0.002%
          HD1   TRP   87 - HN    GLN   30  15.78 +/- 4.23   1.365% *  0.0388% (0.03   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLN   30  18.13 +/- 1.97   0.691% *  0.0165% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.28 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.37, residual support = 18.6:
      O   HA    LEU   98 - HN    LYS+  99   2.33 +/- 0.11  99.577% * 99.9934% (0.99  10.0   4.37  18.56) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  15.44 +/- 2.78   0.423% *  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 = 5.25, residual support = 174.4:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.03  89.160% * 99.5300% (0.80  10.0   5.25 174.38) =  99.995%  kept
          HA    ASN   35 - HN    LYS+  99  10.71 +/- 2.41   2.484% *  0.0804% (0.65   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    LYS+  99  18.05 +/- 3.71   1.105% *  0.0754% (0.61   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    LYS+  99  19.97 +/- 6.29   0.493% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.97 +/- 1.30   0.216% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  23.04 +/- 3.06   0.251% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  14.35 +/- 2.71   0.880% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.72 +/- 0.65   1.861% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.88 +/- 6.47   1.582% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.88 +/- 2.77   0.871% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  20.61 +/- 2.26   0.326% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  26.90 +/- 2.97   0.130% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.76 +/- 2.52   0.164% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  18.36 +/- 4.23   0.475% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.997, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.42 +/- 0.48  79.633% * 99.8701% (1.00 10.00   3.61  14.93) =  99.967%  kept
          HN    LEU   40 - HN    GLU- 100   6.95 +/- 2.16  20.367% *  0.1299% (0.14  1.00   0.19   0.02) =   0.033%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 6.82, residual support = 39.1:
      O   HA    LYS+  99 - HN    GLU- 100   2.24 +/- 0.07  76.344% * 99.1989% (0.99  10.0   6.83  39.18) =  99.888%  kept
          HA    LEU   40 - HN    GLU- 100   4.95 +/- 2.11  19.309% *  0.4181% (0.20   1.0   0.42   0.02) =   0.106%  kept
          HA    ASN   35 - HN    GLU- 100   7.98 +/- 2.98   3.794% *  0.0924% (0.92   1.0   0.02   0.02) =   0.005%
          HA    LEU  123 - HN    GLU- 100  20.81 +/- 6.79   0.192% *  0.0801% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  19.50 +/- 3.33   0.222% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.80 +/- 3.15   0.076% *  0.0898% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.38 +/- 1.50   0.063% *  0.0898% (0.90   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   2.69 +/- 0.86  89.899% * 98.8225% (0.95   3.13  12.50) =  99.969%  kept
          HN    GLU-  36 - HN    GLY  101  11.82 +/- 3.02   2.193% *  0.5350% (0.80   0.02   0.02) =   0.013%
          HN    THR   39 - HN    GLY  101   9.97 +/- 1.87   3.636% *  0.2508% (0.38   0.02   0.02) =   0.010%
          HN    ASP- 105 - HN    GLY  101   9.46 +/- 0.73   3.411% *  0.1170% (0.18   0.02   0.02) =   0.004%
          HD1   TRP   87 - HN    GLY  101  16.21 +/- 2.51   0.861% *  0.2747% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.979, support = 0.877, residual support = 1.62:
          HN    LYS+  99 - HN    LYS+ 102   3.67 +/- 0.54  87.946% * 94.7562% (0.98   0.88   1.62) =  99.857%  kept
          HE1   HIS  122 - HN    LYS+ 102  16.28 +/- 7.10   3.917% *  2.0818% (0.95   0.02   0.02) =   0.098%
          HN    ASN   35 - HN    LYS+ 102  12.05 +/- 3.77   5.090% *  0.3396% (0.15   0.02   0.02) =   0.021%
          HN    GLN   30 - HN    LYS+ 102  16.36 +/- 4.32   1.607% *  0.5488% (0.25   0.02   0.02) =   0.011%
          HN    GLU-  14 - HN    LYS+ 102  24.82 +/- 4.16   0.389% *  1.8382% (0.84   0.02   0.02) =   0.009%
          HN    ASP-  86 - HN    LYS+ 102  17.46 +/- 2.80   1.050% *  0.4355% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.67 A violated in 0 structures by 0.21 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   2.69 +/- 0.86  97.753% * 99.9864% (1.00 10.00   3.13  12.50) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102  10.98 +/- 1.54   2.247% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.42 +/- 0.48 100.000% *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 = 0.977, support = 1.41, residual support = 1.36:
          HA    LYS+  99 - HN    GLY  101   4.21 +/- 0.56  63.387% * 89.8487% (0.99   1.43   1.38) =  97.987%  kept
          HA    LEU   40 - HN    GLY  101   7.34 +/- 1.59  18.168% *  5.2986% (0.20   0.42   0.02) =   1.656%  kept
          HA    ASN   35 - HN    GLY  101   9.07 +/- 3.43  16.116% *  1.1708% (0.92   0.02   0.02) =   0.325%  kept
          HA    LEU  123 - HN    GLY  101  22.33 +/- 6.73   0.715% *  1.0156% (0.80   0.02   0.02) =   0.013%
          HA    ILE   56 - HN    GLY  101  26.08 +/- 3.08   0.344% *  1.1374% (0.90   0.02   0.02) =   0.007%
          HA    PHE   59 - HN    GLY  101  20.93 +/- 3.52   0.947% *  0.3915% (0.31   0.02   0.02) =   0.006%
          HA    ASP- 113 - HN    GLY  101  25.20 +/- 1.10   0.323% *  1.1374% (0.90   0.02   0.02) =   0.006%
    Distance limit 4.79 A violated in 0 structures by 0.00 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   2.78 +/- 0.14  94.815% * 99.5220% (1.00  10.0   2.86  15.43) =  99.995%  kept
          HA    ALA   34 - HN    GLY  101  10.92 +/- 3.31   2.761% *  0.0963% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ASN   28 - HN    GLY  101  14.44 +/- 4.22   1.131% *  0.0833% (0.84   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    GLY  101  19.37 +/- 4.24   0.375% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  20.07 +/- 1.97   0.273% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  23.19 +/- 1.81   0.175% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  23.28 +/- 7.75   0.324% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  26.90 +/- 4.34   0.146% *  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 = 6.53, residual support = 38.1:
          HN    LEU  104 - HN    ILE  103   4.60 +/- 0.11  96.026% * 99.3876% (0.49   6.54  38.14) =  99.975%  kept
          HN    PHE   72 - HN    ILE  103  15.19 +/- 1.92   3.974% *  0.6124% (0.98   0.02   0.02) =   0.025%
    Distance limit 4.52 A violated in 0 structures by 0.10 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 23.6:
      O   HA    LYS+ 102 - HN    ILE  103   2.35 +/- 0.13  99.254% * 99.7796% (0.97  10.0   5.98  23.64) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  20.95 +/- 3.25   0.187% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  19.44 +/- 1.40   0.187% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.54 +/- 2.54   0.196% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  26.71 +/- 2.42   0.079% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  25.09 +/- 2.71   0.096% *  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 = 7.0, residual support = 138.8:
      O   HA    ILE  103 - HN    ILE  103   2.65 +/- 0.22  93.765% * 99.2916% (0.98  10.0   7.00 138.77) =  99.995%  kept
          HA    GLU-  79 - HN    ILE  103  20.67 +/- 4.38   1.850% *  0.0908% (0.90   1.0   0.02   0.02) =   0.002%
          HA    ASP-  44 - HN    ILE  103  13.47 +/- 1.55   0.892% *  0.0879% (0.87   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ILE  103  13.67 +/- 2.02   0.836% *  0.0846% (0.84   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ILE  103  16.79 +/- 3.39   0.506% *  0.0935% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ILE  103  19.34 +/- 2.81   0.330% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  13.86 +/- 3.99   1.195% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.35 +/- 2.97   0.215% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  30.46 +/- 5.97   0.090% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.06 +/- 2.32   0.092% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  25.37 +/- 4.00   0.137% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.44 +/- 5.01   0.093% *  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 = 35.1:
        T HN    ASP- 105 - HN    LEU  104   2.41 +/- 0.72  98.230% * 99.9802% (1.00 10.00   7.01  35.12) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  15.00 +/- 2.50   1.770% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.06 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.08, residual support = 12.1:
          HA    LEU   98 - HN    LEU  104   3.22 +/- 1.24 100.000% *100.0000% (0.80   4.08  12.12) = 100.000%  kept
    Distance limit 3.94 A violated in 2 structures by 0.30 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.57, residual support = 38.1:
      O   HA    ILE  103 - HN    LEU  104   2.39 +/- 0.21  95.928% * 99.2645% (0.95  10.0   6.57  38.14) =  99.997%  kept
          HA    ASP-  44 - HN    LEU  104  11.42 +/- 1.06   1.109% *  0.1049% (1.00   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU  104  12.90 +/- 1.08   0.708% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  17.60 +/- 2.93   0.370% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  15.38 +/- 3.28   0.666% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  18.58 +/- 2.45   0.297% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  20.89 +/- 3.64   0.314% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.86 +/- 4.87   0.064% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.04 +/- 3.07   0.286% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  24.34 +/- 2.72   0.104% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.46 +/- 2.12   0.089% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.71 +/- 3.78   0.064% *  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 = 4.89, residual support = 59.2:
        T HN    PHE   97 - HN    ASP- 105   3.23 +/- 0.72  96.881% * 99.7623% (0.73 10.00   4.89  59.15) =  99.997%  kept
          HN    LEU  115 - HN    ASP- 105  13.49 +/- 1.10   1.873% *  0.0998% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    ASP- 105  16.43 +/- 1.73   1.041% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.45 +/- 3.63   0.204% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.01, residual support = 35.1:
        T HN    LEU  104 - HN    ASP- 105   2.41 +/- 0.72  99.031% * 99.9822% (0.87 10.00   7.01  35.12) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.55 +/- 1.79   0.969% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.17, residual support = 134.3:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.04 100.000% *100.0000% (0.95  10.0   5.17 134.30) = 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 = 24.6:
      O   HA    ASP- 105 - HN    LYS+ 106   2.45 +/- 0.08  99.350% * 99.6913% (0.92  10.0   3.49  24.63) =  99.999%  kept
          HA    LEU   80 - HN    LYS+ 106  19.52 +/- 2.45   0.281% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  25.21 +/- 0.95   0.093% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.80 +/- 1.21   0.113% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  21.41 +/- 2.04   0.163% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 41.9:
      O   HA    ASP- 105 - HN    ASP- 105   2.86 +/- 0.05  98.740% * 99.6913% (0.92  10.0   4.34  41.92) =  99.999%  kept
          HA    LEU   80 - HN    ASP- 105  18.62 +/- 2.87   0.586% *  0.1022% (0.95   1.0   0.02   0.02) =   0.001%
          HB    THR   23 - HN    ASP- 105  23.71 +/- 1.18   0.178% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.55 +/- 1.38   0.211% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  21.28 +/- 2.29   0.285% *  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 = 0.386, support = 5.75, residual support = 30.5:
      O   HA    LEU  104 - HN    ASP- 105   3.39 +/- 0.42  58.309% * 77.1732% (0.34  10.0   6.24  35.12) =  85.401%  kept
          HA    ILE  103 - HN    ASP- 105   4.43 +/- 0.90  35.883% * 21.4132% (0.65   1.0   2.93   3.20) =  14.583%  kept
          HA    ASP-  44 - HN    ASP- 105  10.65 +/- 1.19   2.151% *  0.1890% (0.84   1.0   0.02   0.02) =   0.008%
          HA    ASP-  86 - HN    ASP- 105  15.98 +/- 2.67   0.703% *  0.1812% (0.80   1.0   0.02   0.02) =   0.002%
          HA    SER   85 - HN    ASP- 105  17.72 +/- 2.55   0.482% *  0.1729% (0.76   1.0   0.02   0.02) =   0.002%
          HB    THR   77 - HN    ASP- 105  18.23 +/- 2.09   0.462% *  0.1729% (0.76   1.0   0.02   0.02) =   0.002%
          HA    THR   39 - HN    ASP- 105  13.86 +/- 1.36   0.963% *  0.0504% (0.22   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ASP- 105  21.11 +/- 3.21   0.464% *  0.0629% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ASP- 105  24.71 +/- 2.29   0.172% *  0.1643% (0.73   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HN    ASP- 105  30.33 +/- 4.38   0.114% *  0.1962% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  29.15 +/- 3.19   0.112% *  0.1890% (0.84   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.31 +/- 2.03   0.185% *  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 = 5.25:
          QD    PHE   97 - HN    VAL  107   4.67 +/- 1.33  78.329% * 99.0099% (0.87   2.25   5.26) =  99.791%  kept
          HZ3   TRP   87 - HN    VAL  107  10.97 +/- 2.30  19.579% *  0.8124% (0.80   0.02   0.02) =   0.205%  kept
          HE3   TRP   49 - HN    VAL  107  19.09 +/- 2.50   2.092% *  0.1777% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.52 A violated in 4 structures by 0.49 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.5:
      O   HA    LYS+ 106 - HN    VAL  107   2.22 +/- 0.07 100.000% *100.0000% (0.98  10.0   4.58  26.49) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.65, residual support = 60.2:
      O   HA    VAL  107 - HN    VAL  107   2.93 +/- 0.01  94.825% * 99.7406% (0.95  10.0   3.65  60.22) =  99.998%  kept
          HA    ALA   91 - HN    VAL  107  13.40 +/- 1.52   1.133% *  0.1052% (1.00   1.0   0.02   0.02) =   0.001%
          HA    ALA  110 - HN    VAL  107  10.01 +/- 1.51   3.039% *  0.0185% (0.18   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    VAL  107  18.71 +/- 1.56   0.389% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  17.66 +/- 2.78   0.614% *  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 = 5.84, residual support = 59.1:
          QD    PHE   97 - HN    ASP- 105   3.66 +/- 0.64  83.016% * 99.6161% (0.87   5.84  59.15) =  99.937%  kept
          HZ3   TRP   87 - HN    ASP- 105   9.67 +/- 3.68  16.587% *  0.3150% (0.80   0.02   0.02) =   0.063%
          HE3   TRP   49 - HN    ASP- 105  23.74 +/- 2.24   0.397% *  0.0689% (0.18   0.02   0.02) =   0.000%
    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 = 0.638, support = 0.405, residual support = 0.02:
          HA    LYS+  74 - HN    GLY  109  18.10 +/- 2.20   4.829% * 96.9608% (0.74   0.51   0.02) =  77.954%  kept
          HA    THR   94 - HN    GLY  109   6.27 +/- 2.04  77.145% *  1.3132% (0.26   0.02   0.02) =  16.866%  kept
          HA    MET   92 - HN    GLY  109  10.74 +/- 2.56  18.026% *  1.7260% (0.34   0.02   0.02) =   5.180%  kept
    Distance limit 4.46 A violated in 9 structures by 1.80 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.549, support = 2.17, residual support = 8.45:
      O   HA1   GLY  109 - HN    GLY  109   2.64 +/- 0.23  37.323% * 65.2967% (0.73  10.0   1.76   9.34) =  53.955%  kept
      O   HA    VAL  108 - HN    GLY  109   2.22 +/- 0.04  60.388% * 34.4389% (0.34  10.0   2.66   7.41) =  46.042%  kept
          HA    ALA   47 - HN    GLY  109  14.08 +/- 3.55   1.395% *  0.0435% (0.43   1.0   0.02   0.02) =   0.001%
          HA    CYS   50 - HN    GLY  109  15.89 +/- 3.39   0.373% *  0.0753% (0.74   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    GLY  109  17.99 +/- 4.54   0.383% *  0.0666% (0.65   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    GLY  109  24.59 +/- 2.29   0.049% *  0.0528% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.71 +/- 1.27   0.088% *  0.0262% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.11:
          HN    LYS+ 111 - HN    ALA  110   3.47 +/- 0.80  94.159% * 97.3089% (0.90   3.04   9.12) =  99.967%  kept
          HN    ILE   56 - HN    ALA  110  14.28 +/- 2.78   2.077% *  0.6996% (0.98   0.02   0.14) =   0.016%
          HN    LEU   63 - HN    ALA  110  16.83 +/- 2.47   1.030% *  0.6588% (0.92   0.02   0.02) =   0.007%
          HN    ALA   84 - HN    ALA  110  18.79 +/- 3.27   0.864% *  0.6401% (0.90   0.02   0.02) =   0.006%
          HZ2   TRP   87 - HN    ALA  110  18.36 +/- 3.04   1.285% *  0.1250% (0.18   0.02   0.02) =   0.002%
          HD21  ASN   28 - HN    ALA  110  23.92 +/- 3.33   0.427% *  0.2203% (0.31   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ALA  110  32.14 +/- 2.40   0.158% *  0.3474% (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 = 6.21:
      O   HA1   GLY  109 - HN    ALA  110   3.16 +/- 0.45  62.715% * 93.8843% (0.69  10.0   2.07   6.41) =  96.791%  kept
          HA    VAL  108 - HN    ALA  110   4.96 +/- 1.30  33.740% *  5.7754% (0.80   1.0   1.06   0.02) =   3.203%  kept
          HA    ALA   47 - HN    ALA  110  14.57 +/- 3.40   1.618% *  0.1226% (0.90   1.0   0.02   0.02) =   0.003%
          HA    CYS   50 - HN    ALA  110  15.64 +/- 3.13   0.865% *  0.0992% (0.73   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    ALA  110  17.79 +/- 4.52   0.901% *  0.0719% (0.53   1.0   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    ALA  110  25.78 +/- 3.30   0.162% *  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   2.46 +/- 0.29  89.080% * 94.4758% (0.18  10.0   2.74   9.58) =  99.882%  kept
          HA    PRO   52 - HN    ALA  110  15.06 +/- 3.90   1.255% *  3.9653% (0.34   1.0   0.43   0.02) =   0.059%
          HA    VAL  107 - HN    ALA  110   7.29 +/- 1.34   8.138% *  0.5103% (0.95   1.0   0.02   0.02) =   0.049%
          HA    ALA   91 - HN    ALA  110  11.74 +/- 3.20   1.412% *  0.5383% (1.00   1.0   0.02   0.02) =   0.009%
          HA    TRP   27 - HN    ALA  110  24.52 +/- 2.53   0.115% *  0.5103% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.6:
        T HN    LYS+ 112 - HN    LYS+ 111   4.40 +/- 0.14  93.529% * 99.8172% (0.99 10.00   5.34  28.63) =  99.998%  kept
          HN    LYS+  74 - HN    LYS+ 111  20.61 +/- 3.45   1.373% *  0.0570% (0.57  1.00   0.02   0.02) =   0.001%
          HN    THR   46 - HN    LYS+ 111  13.87 +/- 2.18   3.741% *  0.0199% (0.20  1.00   0.02   0.02) =   0.001%
          HN    MET   11 - HN    LYS+ 111  36.84 +/- 5.44   0.207% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  20.14 +/- 2.80   1.150% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.23 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   3.47 +/- 0.80  97.144% * 99.9053% (1.00 10.00   3.04   9.12) =  99.997%  kept
          HN    PHE   45 - HN    LYS+ 111  12.42 +/- 2.11   2.856% *  0.0947% (0.95  1.00   0.02   0.02) =   0.003%
    Distance limit 4.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.777, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.17 +/- 2.02  40.098% * 58.2608% (1.00   0.02   0.02) =  65.531%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.92 +/- 1.76  40.675% * 19.8732% (0.34   0.02   0.02) =  22.675%  kept
          HD2   HIS  122 - HN    LYS+ 111  15.57 +/- 1.25  19.227% * 21.8659% (0.38   0.02   0.02) =  11.793%  kept
    Distance limit 4.54 A violated in 20 structures by 5.53 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.11:
      O   HA    ALA  110 - HN    LYS+ 111   3.10 +/- 0.39  83.739% * 99.3312% (0.45  10.0   3.04   9.12) =  99.964%  kept
          HA    VAL  107 - HN    LYS+ 111   8.10 +/- 2.09  11.661% *  0.2138% (0.97   1.0   0.02   0.02) =   0.030%
          HA    ALA   91 - HN    LYS+ 111  12.84 +/- 2.84   1.773% *  0.1922% (0.87   1.0   0.02   0.02) =   0.004%
          HA    PHE   55 - HN    LYS+ 111  13.78 +/- 3.86   1.829% *  0.0438% (0.20   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    LYS+ 111  15.78 +/- 2.56   0.801% *  0.0756% (0.34   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    LYS+ 111  24.68 +/- 2.27   0.197% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.21 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.09, residual support = 28.6:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.48 +/- 0.24  96.226% * 99.8075% (0.53  10.0   7.09  28.63) =  99.996%  kept
          HA    VAL  108 - HN    LYS+ 112   9.04 +/- 0.83   2.271% *  0.1074% (0.57   1.0   0.02   0.02) =   0.003%
          HA    ALA   47 - HN    LYS+ 112  12.28 +/- 2.60   1.502% *  0.0851% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 5.11, residual support = 25.0:
        T HN    GLU- 114 - HN    ASP- 113   2.77 +/- 0.12  80.420% * 94.2029% (0.81 10.00   5.16  25.27) =  98.911%  kept
          HN    GLN  116 - HN    ASP- 113   5.03 +/- 0.52  14.768% *  5.6313% (0.76  1.00   1.26   1.87) =   1.086%  kept
          HN    THR  118 - HN    ASP- 113   8.62 +/- 0.45   2.753% *  0.0644% (0.55  1.00   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ASP- 113  11.09 +/- 2.01   1.663% *  0.0409% (0.35  1.00   0.02   0.02) =   0.001%
          HN    LEU   71 - HN    ASP- 113  20.32 +/- 4.14   0.396% *  0.0604% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.16, residual support = 25.3:
        T HN    ASP- 113 - HN    GLU- 114   2.77 +/- 0.12 100.000% *100.0000% (1.00 10.00   5.16  25.27) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.956, support = 3.8, residual support = 43.0:
      O   HA    GLU- 114 - HN    GLU- 114   2.80 +/- 0.05  83.170% * 89.1147% (0.97  10.0   3.79  43.39) =  97.995%  kept
          HA    LEU  115 - HN    GLU- 114   5.07 +/- 0.16  14.327% * 10.5810% (0.53   1.0   4.36  21.68) =   2.004%  kept
          HA    CYS   53 - HN    GLU- 114  10.87 +/- 2.24   2.051% *  0.0285% (0.31   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    GLU- 114  24.83 +/- 0.94   0.121% *  0.0801% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  28.24 +/- 2.48   0.089% *  0.0874% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  25.97 +/- 2.47   0.115% *  0.0634% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  25.02 +/- 1.91   0.126% *  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 = 2.17, residual support = 3.65:
          HA    LYS+ 111 - HN    ASP- 113   4.05 +/- 0.43  73.683% * 99.1935% (0.74   2.17   3.65) =  99.886%  kept
          HA    PRO   52 - HN    ASP- 113  11.05 +/- 4.04  16.902% *  0.3593% (0.29   0.02   0.02) =   0.083%
          HA    VAL  108 - HN    ASP- 113   9.98 +/- 0.97   6.581% *  0.2627% (0.21   0.02   0.02) =   0.024%
          HA    ALA   47 - HN    ASP- 113  14.06 +/- 2.30   2.834% *  0.1845% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.46, residual support = 14.4:
      O   HA    ASP- 113 - HN    ASP- 113   2.69 +/- 0.05  88.503% * 99.6702% (0.85  10.0   3.46  14.37) =  99.992%  kept
          HA    ILE   56 - HN    ASP- 113   9.37 +/- 3.32   9.196% *  0.0606% (0.52   1.0   0.02   0.02) =   0.006%
          HA    PHE   59 - HN    ASP- 113  11.00 +/- 1.44   1.501% *  0.0606% (0.52   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP- 113  17.64 +/- 1.44   0.344% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  22.58 +/- 1.48   0.158% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.07 +/- 2.55   0.075% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  20.35 +/- 1.80   0.223% *  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 = 0.941, support = 8.21, residual support = 87.0:
        T HN    GLN  116 - HN    LEU  115   2.56 +/- 0.23  45.738% * 82.7955% (0.99 10.00   8.77  98.67) =  85.021%  kept
          HN    GLU- 114 - HN    LEU  115   2.54 +/- 0.18  46.394% * 13.9483% (0.65  1.00   5.16  21.68) =  14.529%  kept
          HN    THR  118 - HN    LEU  115   5.07 +/- 0.41   6.336% *  3.1562% (0.95  1.00   0.80   0.16) =   0.449%  kept
          HN    PHE   60 - HN    LEU  115   9.20 +/- 1.35   1.141% *  0.0638% (0.76  1.00   0.02   0.02) =   0.002%
          HN    LEU   71 - HN    LEU  115  17.28 +/- 4.20   0.341% *  0.0232% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.10 +/- 3.06   0.052% *  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 = 98.7:
        T HN    LEU  115 - HN    GLN  116   2.56 +/- 0.23  99.118% * 99.8619% (0.98 10.00   8.77  98.67) =  99.999%  kept
          HN    PHE   97 - HN    GLN  116  13.26 +/- 1.24   0.818% *  0.0999% (0.98  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    GLN  116  31.53 +/- 3.40   0.065% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.55, residual support = 28.0:
        T HN    SER  117 - HN    GLN  116   2.77 +/- 0.14  99.640% * 99.8966% (0.97 10.00   5.55  27.98) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  23.16 +/- 2.87   0.205% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  24.21 +/- 1.29   0.155% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 4.07, residual support = 16.0:
        T HN    THR  118 - HN    SER  117   2.65 +/- 0.16  48.840% * 47.7909% (0.95 10.00   2.74   5.11) =  52.002%  kept
        T HN    GLN  116 - HN    SER  117   2.77 +/- 0.14  42.776% * 50.0740% (0.99 10.00   5.55  27.98) =  47.721%  kept
          HN    GLU- 114 - HN    SER  117   5.12 +/- 0.32   6.977% *  1.7272% (0.65  1.00   1.06   0.87) =   0.269%  kept
        T HN    PHE   60 - HN    SER  117  10.07 +/- 1.29   1.008% *  0.3861% (0.76 10.00   0.02   0.02) =   0.009%
          HN    LEU   71 - HN    SER  117  17.73 +/- 4.54   0.344% *  0.0140% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.47 +/- 3.11   0.055% *  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 = 2.01, residual support = 110.4:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  98.984% * 99.8133% (0.95  10.0   2.01 110.41) =  99.999%  kept
          HD2   HIS  122 - HE21  GLN  116   9.74 +/- 1.34   0.701% *  0.1018% (0.96   1.0   0.02   0.02) =   0.001%
          QD    PHE   45 - HE21  GLN  116  15.00 +/- 1.99   0.233% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  22.75 +/- 4.41   0.083% *  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 = 0.897, support = 2.01, residual support = 110.4:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  93.824% * 99.7477% (0.90  10.0 10.00   2.01 110.41) =  99.994%  kept
          HN    ALA   57 - HE22  GLN  116   9.49 +/- 3.07   3.197% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HN    ALA  120 - HE22  GLN  116   7.29 +/- 1.96   2.617% *  0.1090% (0.98   1.0  1.00   0.02   0.15) =   0.003%
          HN    ALA  124 - HE22  GLN  116  13.32 +/- 2.57   0.318% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  24.64 +/- 3.75   0.044% *  0.0309% (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 = 1.22, residual support = 1.86:
          HA    ASP- 113 - HN    GLN  116   3.57 +/- 0.39  74.111% * 94.8869% (1.00   1.23   1.87) =  99.662%  kept
          HA    ILE   56 - HN    GLN  116   8.37 +/- 1.59  11.546% *  0.9393% (0.61   0.02   0.02) =   0.154%  kept
          HA    PHE   59 - HN    GLN  116   7.44 +/- 1.25  11.474% *  0.9393% (0.61   0.02   0.66) =   0.153%  kept
          HA    LEU  123 - HN    GLN  116  13.18 +/- 0.88   1.663% *  0.7538% (0.49   0.02   0.02) =   0.018%
          HA    LYS+  99 - HN    GLN  116  19.71 +/- 1.36   0.501% *  1.2400% (0.80   0.02   0.02) =   0.009%
          HA    ASN   35 - HN    GLN  116  26.18 +/- 2.37   0.217% *  1.0018% (0.65   0.02   0.02) =   0.003%
          HA    TRP   87 - HN    GLN  116  20.01 +/- 1.47   0.488% *  0.2389% (0.15   0.02   0.02) =   0.002%
    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 = 6.8, residual support = 110.4:
      O   HA    GLN  116 - HN    GLN  116   2.72 +/- 0.06  97.733% * 99.5202% (1.00  10.0   6.80 110.41) =  99.999%  kept
          HA    VAL   70 - HN    GLN  116  16.55 +/- 3.37   0.673% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLN  116  18.82 +/- 2.37   0.351% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  16.69 +/- 2.10   0.532% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.14 +/- 2.83   0.107% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  25.32 +/- 1.73   0.132% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  27.55 +/- 2.49   0.108% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  25.35 +/- 2.76   0.145% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  22.29 +/- 3.09   0.219% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.911, support = 7.06, residual support = 173.1:
      O   HA    LEU  115 - HN    LEU  115   2.82 +/- 0.06  65.215% * 60.5049% (1.00  10.0   7.77 222.74) =  75.325%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.55 +/- 0.06  32.948% * 39.2280% (0.65  10.0   4.87  21.68) =  24.673%  kept
          HA    ARG+  54 - HN    LEU  115  12.00 +/- 1.25   0.954% *  0.0392% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    LEU  115  17.89 +/- 0.84   0.265% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  23.25 +/- 1.89   0.126% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  23.98 +/- 2.31   0.118% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  23.20 +/- 0.93   0.120% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  20.92 +/- 1.35   0.167% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  26.45 +/- 2.40   0.087% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.64, residual support = 15.4:
      O   HA    SER  117 - HN    SER  117   2.76 +/- 0.05  98.775% * 99.4282% (0.38  10.0   3.64  15.36) =  99.997%  kept
          HA    ASP-  62 - HN    SER  117  13.19 +/- 1.21   0.983% *  0.2506% (0.95   1.0   0.02   0.02) =   0.003%
          HB    THR   26 - HN    SER  117  26.87 +/- 3.21   0.127% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  26.45 +/- 1.24   0.115% *  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 = 5.85, residual support = 52.7:
        T HN    ILE  119 - HN    ALA  120   2.77 +/- 0.16  98.890% * 99.2864% (0.83 10.00   5.85  52.73) =  99.996%  kept
        T HN    CYS   21 - HN    ALA  120  22.52 +/- 4.18   0.711% *  0.4963% (0.41 10.00   0.02   0.02) =   0.004%
          HN    ILE   89 - HN    ALA  120  22.28 +/- 1.95   0.204% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.50 +/- 4.60   0.194% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.78, residual support = 54.3:
          HN    HIS  122 - HN    LYS+ 121   2.72 +/- 0.04  90.151% * 99.4579% (0.80   6.78  54.35) =  99.989%  kept
          QE    PHE   59 - HN    LYS+ 121   6.37 +/- 0.67   7.808% *  0.0732% (0.20   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    LYS+ 121  10.66 +/- 1.33   1.783% *  0.1780% (0.49   0.02   0.02) =   0.004%
          HH2   TRP   87 - HN    LYS+ 121  20.65 +/- 3.33   0.258% *  0.2909% (0.79   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.256, support = 5.69, residual support = 31.4:
          HN    LEU  123 - HN    HIS  122   2.09 +/- 0.07  96.237% * 90.4484% (0.26   5.70  31.53) =  99.661%  kept
          HN    ALA  124 - HN    HIS  122   6.53 +/- 0.09   3.187% *  9.2677% (0.09   1.70   0.02) =   0.338%  kept
          HZ2   TRP   49 - HN    HIS  122  19.63 +/- 5.35   0.440% *  0.1349% (0.11   0.02   0.02) =   0.001%
          HE21  GLN   17 - HN    HIS  122  21.09 +/- 4.25   0.135% *  0.1491% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.7, residual support = 31.5:
          HN    HIS  122 - HN    LEU  123   2.09 +/- 0.07  97.255% * 99.1087% (0.87   5.70  31.53) =  99.993%  kept
          QE    PHE   59 - HN    LEU  123   8.05 +/- 0.80   1.886% *  0.2109% (0.53   0.02   0.02) =   0.004%
          HN    PHE   59 - HN    LEU  123  11.65 +/- 1.62   0.761% *  0.3595% (0.90   0.02   0.02) =   0.003%
          HH2   TRP   87 - HN    LEU  123  22.43 +/- 3.62   0.097% *  0.3209% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.12, residual support = 12.0:
      O   HA    LEU  123 - HN    ALA  124   2.27 +/- 0.03  97.712% * 99.5133% (1.00  10.0   4.12  12.05) =  99.999%  kept
          HA    ILE   56 - HN    ALA  124  16.99 +/- 3.68   0.455% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  20.61 +/- 7.07   0.278% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  15.84 +/- 2.71   0.476% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  19.86 +/- 6.78   0.333% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  25.77 +/- 7.61   0.154% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  17.29 +/- 1.65   0.251% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  23.47 +/- 6.48   0.234% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  27.96 +/- 6.46   0.106% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.8, residual support = 9.13:
      O   HA    ALA  124 - HN    ALA  124   2.76 +/- 0.23  97.594% * 99.5719% (1.00  10.0   1.81   9.13) =  99.999%  kept
          HA    ARG+  54 - HN    ALA  124  20.67 +/- 3.42   0.357% *  0.1067% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA  124  15.47 +/- 0.85   0.594% *  0.0496% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  28.04 +/- 6.05   0.381% *  0.0538% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  24.05 +/- 7.38   0.550% *  0.0341% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  28.43 +/- 7.87   0.225% *  0.0760% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  31.26 +/- 3.28   0.084% *  0.0885% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  24.94 +/- 6.82   0.215% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.35, residual support = 31.5:
      O   HA    HIS  122 - HN    LEU  123   3.43 +/- 0.06  97.788% * 99.8702% (1.00  10.0   4.35  31.53) =  99.999%  kept
          HA    VAL   41 - HN    LEU  123  18.13 +/- 5.08   1.210% *  0.0800% (0.80   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU  123  19.98 +/- 2.10   0.550% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.65 +/- 2.49   0.453% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.93, residual support = 201.7:
      O   HA    LEU  123 - HN    LEU  123   2.87 +/- 0.06  93.357% * 99.5133% (1.00  10.0   5.93 201.71) =  99.995%  kept
          HA    ILE   56 - HN    LEU  123  14.02 +/- 3.32   1.718% *  0.0989% (0.99   1.0   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    LEU  123  18.09 +/- 6.19   0.741% *  0.0894% (0.90   1.0   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    LEU  123  13.72 +/- 1.30   0.983% *  0.0565% (0.57   1.0   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU  123  13.27 +/- 2.24   1.459% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    LEU  123  17.57 +/- 5.91   0.913% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  24.04 +/- 6.34   0.331% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  22.69 +/- 4.93   0.317% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  27.50 +/- 4.92   0.181% *  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 = 6.74, residual support = 71.3:
          HD2   HIS  122 - HN    HIS  122   2.70 +/- 0.39  96.515% * 97.2378% (0.11   6.74  71.33) =  99.985%  kept
          HE22  GLN  116 - HN    HIS  122  10.51 +/- 1.85   2.859% *  0.3191% (0.12   0.02   0.02) =   0.010%
          HE22  GLN   17 - HN    HIS  122  21.59 +/- 3.85   0.333% *  0.9169% (0.35   0.02   0.02) =   0.003%
          HE22  GLN   32 - HN    HIS  122  29.56 +/- 5.75   0.173% *  0.8114% (0.31   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    HIS  122  27.50 +/- 3.43   0.120% *  0.7148% (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 = 5.26, residual support = 71.3:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.01  98.476% * 99.8131% (0.30  10.0   5.26  71.33) =  99.998%  kept
          HA    VAL   41 - HN    HIS  122  16.62 +/- 4.92   1.077% *  0.1192% (0.35   1.0   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    HIS  122  18.37 +/- 1.99   0.447% *  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 = 5.22, residual support = 181.9:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.02  62.130% * 38.4533% (0.49  10.0   6.44 313.68) =  57.634%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.57 +/- 0.03  28.700% * 61.1842% (0.77  10.0   3.55   2.69) =  42.361%  kept
          QB    SER  117 - HN    LYS+ 121   5.76 +/- 0.51   7.388% *  0.0176% (0.22   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    LYS+ 121  16.59 +/- 2.32   0.359% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  17.20 +/- 1.61   0.277% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  21.82 +/- 4.08   0.165% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  21.17 +/- 2.58   0.176% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  19.84 +/- 3.50   0.311% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  21.57 +/- 2.93   0.181% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  24.79 +/- 2.06   0.090% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.93 +/- 4.76   0.126% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  24.84 +/- 2.67   0.096% *  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 = 0.733, support = 3.58, residual support = 13.2:
      O   HA    ALA  120 - HN    ALA  120   2.77 +/- 0.06  73.889% * 90.6969% (0.74  10.0   3.58  13.37) =  98.530%  kept
          HA    LYS+ 121 - HN    ALA  120   5.19 +/- 0.16  11.471% *  8.0290% (0.35   1.0   3.78   2.69) =   1.354%  kept
          QB    SER  117 - HN    ALA  120   5.09 +/- 0.25  12.215% *  0.6345% (0.12   1.0   0.83   5.10) =   0.114%  kept
          HA    LYS+  65 - HN    ALA  120  16.11 +/- 2.10   0.442% *  0.1130% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ALA  120  18.41 +/- 3.32   0.403% *  0.0596% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  21.83 +/- 4.08   0.203% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.89 +/- 1.33   0.347% *  0.0508% (0.41   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  20.15 +/- 2.67   0.244% *  0.0641% (0.52   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.95 +/- 1.61   0.105% *  0.1130% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  20.01 +/- 2.75   0.248% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.77 +/- 4.23   0.131% *  0.0386% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  24.95 +/- 2.25   0.109% *  0.0350% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  21.19 +/- 2.41   0.192% *  0.0175% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.2, residual support = 12.0:
          HB2   LEU  123 - HN    ALA  124   4.17 +/- 0.18  84.213% * 96.2072% (0.76   4.20  12.05) =  99.918%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.46 +/- 0.17   7.267% *  0.4353% (0.73   0.02   0.02) =   0.039%
          QD    LYS+  65 - HN    ALA  124  16.32 +/- 3.26   2.886% *  0.4581% (0.76   0.02   0.02) =   0.016%
          QD    LYS+  38 - HN    ALA  124  21.47 +/- 7.05   1.259% *  0.5670% (0.95   0.02   0.02) =   0.009%
          QD    LYS+ 102 - HN    ALA  124  22.69 +/- 6.08   0.841% *  0.5670% (0.95   0.02   0.02) =   0.006%
          HG3   PRO   93 - HN    ALA  124  23.28 +/- 3.48   0.762% *  0.4800% (0.80   0.02   0.02) =   0.005%
          HB3   MET   92 - HN    ALA  124  25.23 +/- 3.72   0.734% *  0.2250% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ALA  124  23.55 +/- 1.78   0.509% *  0.2918% (0.49   0.02   0.02) =   0.002%
          HB    VAL   83 - HN    ALA  124  28.93 +/- 3.18   0.283% *  0.5007% (0.84   0.02   0.02) =   0.002%
          HB2   LEU   73 - HN    ALA  124  23.61 +/- 3.67   0.574% *  0.1495% (0.25   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ALA  124  23.29 +/- 4.15   0.671% *  0.1186% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.06 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.8, residual support = 9.13:
      O   QB    ALA  124 - HN    ALA  124   2.30 +/- 0.29  93.531% * 98.5478% (0.65  10.0   1.81   9.13) =  99.994%  kept
          HG3   LYS+  33 - HN    ALA  124  26.32 +/- 7.74   3.041% *  0.0822% (0.49   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    ALA  124  18.06 +/- 3.94   0.599% *  0.0956% (0.57   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA  124  18.38 +/- 5.04   0.396% *  0.0956% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA  124  14.89 +/- 2.80   0.512% *  0.0634% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  21.11 +/- 4.93   0.211% *  0.1464% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.09 +/- 2.50   0.206% *  0.1290% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.92 +/- 2.96   0.166% *  0.1514% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  21.94 +/- 5.33   0.174% *  0.1290% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  20.15 +/- 3.30   0.214% *  0.0822% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  24.93 +/- 7.00   0.132% *  0.1159% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  23.45 +/- 3.74   0.131% *  0.1092% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  25.22 +/- 2.61   0.094% *  0.1464% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  26.83 +/- 6.68   0.382% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  24.93 +/- 5.65   0.151% *  0.0296% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  28.82 +/- 3.19   0.061% *  0.0469% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 5.72, residual support = 26.8:
          HA    ALA  120 - HN    LEU  123   2.66 +/- 0.12  73.986% * 73.7443% (0.99   6.05  29.28) =  90.906%  kept
          HA    LYS+ 121 - HN    LEU  123   4.04 +/- 0.12  21.891% * 24.9073% (0.84   2.42   2.24) =   9.085%  kept
          QB    SER  117 - HN    LEU  123   8.78 +/- 0.38   2.123% *  0.1197% (0.49   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    LEU  123  16.44 +/- 2.89   0.398% *  0.1689% (0.69   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LEU  123  22.56 +/- 4.11   0.256% *  0.1880% (0.76   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    LEU  123  20.70 +/- 5.00   0.250% *  0.1880% (0.76   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LEU  123  22.15 +/- 3.24   0.197% *  0.2374% (0.97   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU  123  19.55 +/- 1.75   0.204% *  0.2206% (0.90   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    LEU  123  21.05 +/- 4.72   0.616% *  0.0379% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  26.66 +/- 2.18   0.078% *  0.1880% (0.76   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 = 0.978, support = 4.68, residual support = 29.8:
          HB3   HIS  122 - HN    LEU  123   3.57 +/- 0.41  78.041% * 80.2571% (0.99   4.88  31.53) =  94.211%  kept
          QE    LYS+ 121 - HN    LEU  123   6.35 +/- 0.98  19.782% * 19.4440% (0.76   1.53   2.24) =   5.786%  kept
          HG2   GLN   30 - HN    LEU  123  24.39 +/- 5.71   1.580% *  0.0923% (0.28   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HN    LEU  123  27.62 +/- 3.56   0.252% *  0.1616% (0.49   0.02   0.02) =   0.001%
          HB3   ASN   28 - HN    LEU  123  27.73 +/- 5.18   0.346% *  0.0449% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.763, support = 5.5, residual support = 201.4:
          HG    LEU  123 - HN    LEU  123   3.63 +/- 0.25  62.361% * 96.6297% (0.76   5.51 201.71) =  99.832%  kept
          HG3   PRO   68 - HN    LEU  123  13.72 +/- 6.77  13.582% *  0.3982% (0.87   0.02   0.02) =   0.090%
          HB3   ASP- 105 - HN    LEU  123  13.12 +/- 5.67   2.882% *  0.3509% (0.76   0.02   0.02) =   0.017%
          QB    LYS+ 106 - HN    LEU  123  15.20 +/- 4.11   3.299% *  0.2058% (0.45   0.02   0.02) =   0.011%
          QB    LYS+  66 - HN    LEU  123  11.41 +/- 4.24   7.183% *  0.0909% (0.20   0.02   0.02) =   0.011%
          HB3   PRO   52 - HN    LEU  123  19.66 +/- 5.11   1.809% *  0.3509% (0.76   0.02   0.02) =   0.011%
          QB    LYS+  33 - HN    LEU  123  23.29 +/- 5.99   1.430% *  0.2970% (0.65   0.02   0.02) =   0.007%
          HB    ILE  103 - HN    LEU  123  19.38 +/- 5.60   0.880% *  0.3835% (0.84   0.02   0.02) =   0.006%
          HG12  ILE  103 - HN    LEU  123  18.61 +/- 5.49   1.509% *  0.2235% (0.49   0.02   0.02) =   0.006%
          HG2   ARG+  54 - HN    LEU  123  19.45 +/- 3.40   0.701% *  0.3676% (0.80   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LEU  123  12.99 +/- 3.15   3.199% *  0.0621% (0.14   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    LEU  123  19.33 +/- 4.96   0.807% *  0.1566% (0.34   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    LEU  123  26.84 +/- 2.42   0.182% *  0.2599% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LEU  123  26.66 +/- 2.27   0.177% *  0.2235% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.60 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 = 0.764, support = 5.92, residual support = 198.2:
      O   HB2   LEU  123 - HN    LEU  123   2.34 +/- 0.28  87.348% * 86.3804% (0.76  10.0   5.97 201.71) =  98.231%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.08 +/- 0.12  10.448% * 12.9865% (0.73   1.0   3.16   2.24) =   1.766%  kept
          QD    LYS+  65 - HN    LEU  123  14.89 +/- 2.44   0.438% *  0.0864% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  20.37 +/- 5.81   0.344% *  0.1069% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  19.60 +/- 2.77   0.278% *  0.0905% (0.80   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  20.28 +/- 5.44   0.224% *  0.1069% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  19.71 +/- 1.42   0.188% *  0.0550% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.53 +/- 2.96   0.243% *  0.0424% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  25.61 +/- 2.96   0.094% *  0.0944% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  20.93 +/- 3.35   0.199% *  0.0282% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  20.66 +/- 3.58   0.198% *  0.0224% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.854, support = 6.32, residual support = 201.6:
          QD1   LEU  123 - HN    LEU  123   2.52 +/- 0.63  66.360% * 84.7536% (0.90   6.33 201.71) =  94.180%  kept
          QD2   LEU  123 - HN    LEU  123   4.03 +/- 0.49  24.228% * 14.2631% (0.15   6.20 201.71) =   5.787%  kept
          QD1   LEU   71 - HN    LEU  123  15.21 +/- 6.24   3.751% *  0.2676% (0.90   0.02   0.02) =   0.017%
          QG1   VAL   70 - HN    LEU  123  10.92 +/- 4.67   3.402% *  0.2050% (0.69   0.02   0.02) =   0.012%
          HB3   LEU  104 - HN    LEU  123  15.29 +/- 6.49   0.675% *  0.2957% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LEU  123  15.41 +/- 3.21   0.404% *  0.1689% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU  123  12.25 +/- 3.31   1.180% *  0.0460% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.92 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 = 0.245, support = 7.03, residual support = 37.0:
      O   HA    LYS+ 121 - HN    HIS  122   3.50 +/- 0.02  46.806% * 65.7275% (0.20  10.0   7.49  54.35) =  66.764%  kept
          HA    ALA  120 - HN    HIS  122   3.53 +/- 0.13  45.558% * 33.6091% (0.33   1.0   6.12   2.01) =  33.228%  kept
          QB    SER  117 - HN    HIS  122   7.96 +/- 0.39   4.092% *  0.0289% (0.09   1.0   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    HIS  122  15.54 +/- 2.49   0.651% *  0.1072% (0.33   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    HIS  122  20.23 +/- 4.34   0.356% *  0.1120% (0.34   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    HIS  122  20.09 +/- 4.34   0.884% *  0.0396% (0.12   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    HIS  122  17.85 +/- 1.85   0.393% *  0.0751% (0.23   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    HIS  122  21.12 +/- 2.89   0.288% *  0.0887% (0.27   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    HIS  122  21.70 +/- 3.84   0.391% *  0.0565% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  25.11 +/- 2.25   0.136% *  0.1120% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  24.87 +/- 5.65   0.308% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  25.48 +/- 2.84   0.137% *  0.0203% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.26, support = 6.15, residual support = 15.1:
          HA    ILE  119 - HN    HIS  122   3.58 +/- 0.25  68.323% * 60.3945% (0.27   6.36  17.49) =  81.804%  kept
          HA    THR  118 - HN    HIS  122   5.32 +/- 0.35  23.495% * 39.0375% (0.21   5.18   4.31) =  18.183%  kept
          HD3   PRO   58 - HN    HIS  122  12.15 +/- 3.07   6.059% *  0.0691% (0.10   0.02   0.02) =   0.008%
          HB2   TRP   49 - HN    HIS  122  22.89 +/- 4.42   0.515% *  0.1706% (0.24   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    HIS  122  17.45 +/- 2.81   0.841% *  0.0767% (0.11   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    HIS  122  19.90 +/- 2.48   0.487% *  0.1307% (0.19   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    HIS  122  23.56 +/- 2.82   0.281% *  0.1209% (0.17   0.02   0.02) =   0.001%
    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 = 5.37, residual support = 71.3:
      O   HB2   HIS  122 - HN    HIS  122   3.53 +/- 0.35  89.702% * 99.5910% (0.11  10.0   5.38  71.33) =  99.990%  kept
          HA    LEU   63 - HN    HIS  122  10.50 +/- 3.32   7.920% *  0.0565% (0.06   1.0   0.02   0.02) =   0.005%
          HA    LYS+ 112 - HN    HIS  122  13.75 +/- 0.96   1.648% *  0.1827% (0.20   1.0   0.02   0.02) =   0.003%
          HB2   HIS   22 - HN    HIS  122  26.65 +/- 5.30   0.731% *  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 = 0.32, support = 6.56, residual support = 70.4:
      O   HB3   HIS  122 - HN    HIS  122   2.74 +/- 0.37  77.494% * 82.6449% (0.33  10.0   6.57  71.33) =  94.474%  kept
          QE    LYS+ 121 - HN    HIS  122   5.25 +/- 0.93  21.674% * 17.2815% (0.21   1.0   6.37  54.35) =   5.525%  kept
          HG2   GLN   30 - HN    HIS  122  23.11 +/- 5.29   0.709% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  26.10 +/- 3.37   0.123% *  0.0579% (0.23   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 = 0.308, support = 7.35, residual support = 50.6:
          HB2   LYS+ 121 - HN    HIS  122   3.34 +/- 0.17  58.500% * 73.1543% (0.33   7.75  54.35) =  83.568%  kept
          HB2   LEU  123 - HN    HIS  122   4.11 +/- 0.25  32.620% * 25.7751% (0.17   5.31  31.53) =  16.418%  kept
          QD    LYS+  65 - HN    HIS  122  14.28 +/- 2.35   1.028% *  0.1926% (0.34   0.02   0.02) =   0.004%
          QB    ALA   57 - HN    HIS  122  11.71 +/- 2.75   4.604% *  0.0350% (0.06   0.02   0.02) =   0.003%
          QD    LYS+  38 - HN    HIS  122  19.54 +/- 5.43   0.560% *  0.1978% (0.35   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HN    HIS  122  19.03 +/- 5.35   0.500% *  0.1449% (0.26   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    HIS  122  18.25 +/- 2.49   0.488% *  0.1050% (0.19   0.02   0.02) =   0.001%
          HB    VAL   83 - HN    HIS  122  23.90 +/- 3.05   0.184% *  0.1978% (0.35   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    HIS  122  19.34 +/- 3.44   0.410% *  0.0820% (0.15   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    HIS  122  18.65 +/- 1.20   0.352% *  0.0498% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  20.10 +/- 2.65   0.414% *  0.0350% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  18.96 +/- 1.31   0.341% *  0.0308% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (1.52, 7.24, 114.00 ppm):
    9 chemical-shift based assignments, quality = 0.286, support = 6.64, residual support = 54.3:
          HB3   LYS+ 121 - HN    HIS  122   4.00 +/- 0.35  46.672% * 67.1047% (0.35   6.38  54.35) =  69.993%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.33 +/- 0.83  41.999% * 31.9304% (0.15   7.24  54.35) =  29.970%  kept
          QD    LYS+  66 - HN    HIS  122  11.87 +/- 4.25   5.095% *  0.1718% (0.28   0.02   0.02) =   0.020%
          HG    LEU  104 - HN    HIS  122  15.08 +/- 6.70   1.720% *  0.2103% (0.35   0.02   0.02) =   0.008%
          HB3   LYS+ 111 - HN    HIS  122  16.50 +/- 1.19   0.641% *  0.1980% (0.33   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HN    HIS  122  23.50 +/- 5.81   1.811% *  0.0596% (0.10   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    HIS  122  19.75 +/- 3.72   0.477% *  0.1924% (0.32   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    HIS  122  15.79 +/- 2.46   0.902% *  0.0732% (0.12   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    HIS  122  21.24 +/- 3.97   0.682% *  0.0596% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 6.28, residual support = 31.5:
          QD1   LEU  123 - HN    HIS  122   3.35 +/- 0.75  59.393% * 98.4824% (0.31   6.29  31.53) =  99.792%  kept
          QD1   LEU   71 - HN    HIS  122  14.32 +/- 6.11  18.195% *  0.3131% (0.31   0.02   0.02) =   0.097%
          QG1   VAL   70 - HN    HIS  122   9.93 +/- 4.45  12.854% *  0.3577% (0.35   0.02   0.02) =   0.078%
          HB3   LEU   63 - HN    HIS  122  11.00 +/- 3.30   3.728% *  0.2335% (0.23   0.02   0.02) =   0.015%
          HB3   LEU  104 - HN    HIS  122  13.80 +/- 6.48   2.449% *  0.1899% (0.19   0.02   0.02) =   0.008%
          QG1   VAL   18 - HN    HIS  122  14.50 +/- 2.95   1.120% *  0.3601% (0.35   0.02   0.02) =   0.007%
          QG1   VAL  108 - HN    HIS  122  15.44 +/- 3.03   2.260% *  0.0632% (0.06   0.02   0.02) =   0.002%
    Distance limit 4.22 A violated in 0 structures by 0.11 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.546, support = 3.44, residual support = 7.05:
          HA    THR  118 - HN    LYS+ 121   3.18 +/- 0.33  62.607% * 37.0156% (0.49   2.98   7.13) =  52.785%  kept
          HA    ILE  119 - HN    LYS+ 121   4.01 +/- 0.15  33.399% * 62.0464% (0.61   3.96   6.98) =  47.202%  kept
          HD3   PRO   58 - HN    LYS+ 121  12.22 +/- 2.27   2.291% *  0.1141% (0.22   0.02   0.02) =   0.006%
          HA2   GLY  109 - HN    LYS+ 121  15.57 +/- 3.10   0.943% *  0.1266% (0.25   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    LYS+ 121  22.76 +/- 3.65   0.317% *  0.2818% (0.55   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    LYS+ 121  20.37 +/- 2.39   0.266% *  0.2158% (0.42   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    LYS+ 121  23.23 +/- 2.60   0.177% *  0.1997% (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 = 6.9, residual support = 311.2:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.33 +/- 0.34  85.458% * 93.6857% (0.76  10.0   6.94 313.68) =  99.218%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.02 +/- 0.36  10.883% *  5.7830% (0.39   1.0   2.40   2.24) =   0.780%  kept
          QD    LYS+  65 - HN    LYS+ 121  15.19 +/- 2.39   0.481% *  0.0956% (0.77   1.0   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    LYS+ 121  11.85 +/- 2.25   1.194% *  0.0173% (0.14   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  20.73 +/- 4.57   0.209% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  19.12 +/- 4.77   0.261% *  0.0719% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.35 +/- 2.08   0.324% *  0.0521% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  23.94 +/- 2.87   0.100% *  0.0982% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  20.03 +/- 3.38   0.225% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  16.76 +/- 1.42   0.327% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  17.10 +/- 1.49   0.291% *  0.0153% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.28 +/- 2.30   0.247% *  0.0173% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.543, support = 5.46, residual support = 240.4:
          HD2   LYS+ 121 - HN    LYS+ 121   3.52 +/- 0.79  37.430% * 82.1836% (0.64   6.07 313.68) =  76.447%  kept
          QB    ALA  120 - HN    LYS+ 121   2.82 +/- 0.13  57.475% * 16.4754% (0.22   3.50   2.69) =  23.533%  kept
          QD    LYS+  66 - HN    LYS+ 121  12.79 +/- 4.26   2.221% *  0.1391% (0.33   0.02   0.02) =   0.008%
          HG2   LYS+  65 - HN    LYS+ 121  16.73 +/- 2.61   0.453% *  0.2934% (0.70   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    LYS+ 121  15.74 +/- 4.97   0.740% *  0.1647% (0.39   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    LYS+ 121  10.20 +/- 0.88   1.276% *  0.0941% (0.22   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HN    LYS+ 121  20.22 +/- 3.45   0.217% *  0.3375% (0.80   0.02   0.02) =   0.002%
          QG2   THR   26 - HN    LYS+ 121  22.19 +/- 3.65   0.188% *  0.3123% (0.74   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.79, residual support = 308.8:
          HG2   LYS+ 121 - HN    LYS+ 121   4.10 +/- 0.35  66.912% * 94.3629% (0.77   5.86 313.68) =  98.425%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.29 +/- 0.36  20.185% *  4.8161% (0.16   1.46   6.98) =   1.515%  kept
          QG2   VAL  107 - HN    LYS+ 121   9.54 +/- 2.63   9.794% *  0.3308% (0.79   0.02   0.02) =   0.050%
          HG13  ILE  103 - HN    LYS+ 121  17.04 +/- 4.78   1.619% *  0.2159% (0.52   0.02   0.02) =   0.005%
          QB    ALA   20 - HN    LYS+ 121  19.28 +/- 3.66   0.927% *  0.2159% (0.52   0.02   0.02) =   0.003%
          HB3   LEU   31 - HN    LYS+ 121  22.39 +/- 4.48   0.564% *  0.0584% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.10 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.697, support = 2.1, residual support = 2.23:
          QD1   LEU  123 - HN    LYS+ 121   4.63 +/- 0.59  49.954% * 87.7112% (0.72   2.14   2.24) =  95.946%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.54 +/- 0.40  17.637% *  9.2708% (0.12   1.31   2.24) =   3.580%  kept
          QD1   LEU   71 - HN    LYS+ 121  15.27 +/- 6.08  13.895% *  0.8214% (0.72   0.02   0.02) =   0.250%  kept
          QG1   VAL   70 - HN    LYS+ 121  10.95 +/- 4.05   8.764% *  0.6291% (0.55   0.02   0.02) =   0.121%  kept
          HB3   LEU  104 - HN    LYS+ 121  13.91 +/- 5.74   3.579% *  0.9077% (0.79   0.02   0.02) =   0.071%
          QG1   VAL   18 - HN    LYS+ 121  15.42 +/- 2.87   1.570% *  0.5185% (0.45   0.02   0.02) =   0.018%
          HB3   LEU   63 - HN    LYS+ 121  11.84 +/- 3.20   4.601% *  0.1413% (0.12   0.02   0.02) =   0.014%
    Distance limit 4.24 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 = 5.14, residual support = 52.7:
          HB    ILE  119 - HN    ALA  120   2.73 +/- 0.14  93.748% * 97.5266% (0.90   5.14  52.73) =  99.983%  kept
          HB3   PRO   68 - HN    ALA  120  15.90 +/- 5.06   1.490% *  0.2349% (0.56   0.02   0.02) =   0.004%
          HB    VAL  108 - HN    ALA  120  15.41 +/- 3.11   1.055% *  0.3235% (0.77   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    ALA  120  23.13 +/- 4.52   0.524% *  0.3797% (0.90   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    ALA  120  24.29 +/- 4.75   0.479% *  0.3664% (0.87   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    ALA  120  17.29 +/- 2.01   0.470% *  0.2960% (0.71   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    ALA  120  15.14 +/- 1.87   0.759% *  0.1737% (0.41   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ALA  120  13.74 +/- 1.30   0.806% *  0.1195% (0.28   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ALA  120  23.09 +/- 4.31   0.195% *  0.3865% (0.92   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ALA  120  21.16 +/- 3.88   0.252% *  0.0966% (0.23   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  22.13 +/- 3.77   0.221% *  0.0966% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.0, residual support = 13.2:
      O   QB    ALA  120 - HN    ALA  120   2.05 +/- 0.09  89.817% * 83.6471% (0.49  10.0   4.00  13.37) =  98.632%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.62 +/- 1.06   6.607% * 15.7393% (0.49   1.0   3.76   2.69) =   1.365%  kept
          HG    LEU  115 - HN    ALA  120   9.05 +/- 1.13   1.330% *  0.0836% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ALA  120  16.65 +/- 4.34   0.283% *  0.1215% (0.71   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120  12.20 +/- 4.01   0.968% *  0.0315% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  16.03 +/- 2.22   0.240% *  0.0964% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.88 +/- 3.22   0.126% *  0.1468% (0.85   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  15.09 +/- 4.70   0.513% *  0.0245% (0.14   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  22.23 +/- 3.58   0.115% *  0.1092% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.485, support = 5.74, residual support = 52.7:
          QG2   ILE  119 - HN    ALA  120   3.48 +/- 0.31  84.081% * 96.6811% (0.49   5.74  52.73) =  99.901%  kept
          QD2   LEU   71 - HN    ALA  120  15.31 +/- 5.26   5.137% *  0.5345% (0.77   0.02   0.02) =   0.034%
          QD1   LEU   67 - HN    ALA  120  12.80 +/- 3.63   3.902% *  0.5124% (0.74   0.02   0.02) =   0.025%
          QD2   LEU   40 - HN    ALA  120  13.11 +/- 3.63   2.509% *  0.4891% (0.71   0.02   0.02) =   0.015%
          QG2   ILE  103 - HN    ALA  120  13.91 +/- 3.22   1.829% *  0.5739% (0.83   0.02   0.02) =   0.013%
          QD1   ILE  103 - HN    ALA  120  16.07 +/- 3.04   1.185% *  0.4647% (0.67   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HN    ALA  120  19.78 +/- 3.30   0.635% *  0.6176% (0.89   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    ALA  120  17.91 +/- 2.26   0.722% *  0.1266% (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 = 15.3:
      O   QB    SER  117 - HN    SER  117   2.18 +/- 0.14  94.723% * 88.5426% (0.25  10.0   2.78  15.36) =  99.755%  kept
          HA    ALA  120 - HN    SER  117   7.92 +/- 0.55   2.143% *  9.3157% (0.95   1.0   0.55   5.10) =   0.237%  kept
          HA    LYS+ 121 - HN    SER  117   9.19 +/- 0.62   1.365% *  0.2010% (0.57   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    SER  117  14.14 +/- 0.80   0.384% *  0.2297% (0.65   1.0   0.02   0.02) =   0.001%
          QB    SER   48 - HN    SER  117  18.19 +/- 2.66   0.277% *  0.2714% (0.76   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    SER  117  17.07 +/- 1.38   0.224% *  0.3278% (0.92   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    SER  117  15.92 +/- 2.74   0.339% *  0.1211% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  17.72 +/- 2.16   0.222% *  0.1728% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  23.89 +/- 3.27   0.092% *  0.3427% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  22.94 +/- 1.21   0.085% *  0.3427% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  22.33 +/- 1.73   0.094% *  0.0622% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  27.49 +/- 2.59   0.054% *  0.0703% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.393, support = 5.17, residual support = 28.0:
          HG3   GLN  116 - HN    SER  117   4.74 +/- 0.70  43.539% * 68.9864% (0.49   5.06  27.98) =  67.530%  kept
          HG2   GLN  116 - HN    SER  117   4.57 +/- 0.98  48.081% * 30.0075% (0.20   5.41  27.98) =  32.439%  kept
          HB3   PHE   95 - HN    SER  117   9.24 +/- 1.27   7.363% *  0.1397% (0.25   0.02   0.02) =   0.023%
          HB3   TRP   87 - HN    SER  117  18.82 +/- 1.00   0.791% *  0.3172% (0.57   0.02   0.02) =   0.006%
          HG2   GLU-  25 - HN    SER  117  30.43 +/- 3.26   0.227% *  0.5492% (0.98   0.02   0.02) =   0.003%
    Distance limit 4.23 A violated in 0 structures by 0.17 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.89, residual support = 28.0:
          HB2   GLN  116 - HN    SER  117   3.41 +/- 0.31  93.675% * 98.7727% (0.97   4.89  27.98) =  99.977%  kept
          HB2   PRO   58 - HN    SER  117  11.33 +/- 1.67   3.604% *  0.3040% (0.73   0.02   0.02) =   0.012%
          HB3   PHE   97 - HN    SER  117  13.27 +/- 1.99   2.021% *  0.4187% (1.00   0.02   0.02) =   0.009%
          HB2   GLU- 100 - HN    SER  117  24.01 +/- 2.03   0.310% *  0.3755% (0.90   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    SER  117  22.27 +/- 2.54   0.391% *  0.1292% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.15 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 6.73, residual support = 109.3:
          HG2   GLN  116 - HN    GLN  116   3.61 +/- 0.58  89.797% * 91.3359% (0.73   6.79 110.41) =  98.992%  kept
          HB3   PHE   95 - HN    GLN  116   8.27 +/- 0.95   9.943% *  8.3951% (0.80   0.57   0.78) =   1.008%  kept
          HG2   GLU-  25 - HN    GLN  116  29.06 +/- 3.42   0.259% *  0.2691% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.13 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.37, residual support = 110.4:
      O   HB2   GLN  116 - HN    GLN  116   2.19 +/- 0.14  98.056% * 99.6757% (0.98  10.0   7.37 110.41) =  99.999%  kept
          HB2   PRO   58 - HN    GLN  116  10.26 +/- 1.37   1.191% *  0.0456% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLN  116  13.34 +/- 1.38   0.478% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.22 +/- 1.44   0.078% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  20.75 +/- 2.31   0.135% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.08 +/- 2.09   0.063% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.777, support = 6.97, residual support = 78.8:
          HB2   LEU  115 - HN    GLN  116   3.64 +/- 0.61  57.228% * 64.4505% (0.80   7.55  98.67) =  79.442%  kept
          QB    GLU- 114 - HN    GLN  116   4.95 +/- 0.31  27.460% * 34.7110% (0.69   4.74   2.01) =  20.530%  kept
          HG3   PRO   58 - HN    GLN  116   9.96 +/- 1.11   3.398% *  0.1780% (0.84   0.02   0.02) =   0.013%
          HB2   LYS+ 111 - HN    GLN  116   7.70 +/- 0.93   7.522% *  0.0329% (0.15   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    GLN  116  16.37 +/- 3.05   1.091% *  0.1780% (0.84   0.02   0.02) =   0.004%
          HB2   LEU   67 - HN    GLN  116  16.12 +/- 3.02   1.302% *  0.0876% (0.41   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    GLN  116  21.39 +/- 2.99   0.414% *  0.1629% (0.76   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLN  116  17.72 +/- 2.48   0.706% *  0.0422% (0.20   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    GLN  116  21.60 +/- 3.04   0.402% *  0.0422% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  23.13 +/- 2.77   0.308% *  0.0422% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  28.34 +/- 2.98   0.167% *  0.0727% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.25 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.85, support = 8.45, residual support = 97.2:
          HG    LEU  115 - HN    GLN  116   3.46 +/- 1.05  50.382% * 39.4281% (0.73   8.59  98.67) =  49.851%  kept
          HB3   LEU  115 - HN    GLN  116   3.92 +/- 0.42  36.741% * 52.7883% (0.98   8.52  98.67) =  48.672%  kept
          QB    ALA  120 - HN    GLN  116   7.24 +/- 0.72   8.086% *  7.2377% (0.73   1.58   0.15) =   1.469%  kept
          HG    LEU   73 - HN    GLN  116  18.44 +/- 4.86   1.235% *  0.0716% (0.57   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    GLN  116  15.65 +/- 3.13   0.594% *  0.1264% (1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    GLN  116  16.45 +/- 2.10   0.573% *  0.1239% (0.98   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    GLN  116  12.97 +/- 2.42   1.148% *  0.0474% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    GLN  116  18.06 +/- 2.23   0.421% *  0.0615% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    GLN  116  15.70 +/- 3.09   0.622% *  0.0281% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.94 +/- 1.81   0.199% *  0.0868% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.78, residual support = 98.7:
          QD1   LEU  115 - HN    GLN  116   4.03 +/- 0.63  96.741% * 99.6387% (0.49   7.78  98.67) =  99.988%  kept
          QG1   VAL   75 - HN    GLN  116  13.20 +/- 1.39   3.259% *  0.3613% (0.69   0.02   0.02) =   0.012%
    Distance limit 4.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.57, support = 10.0, residual support = 97.4:
          QD2   LEU  115 - HN    GLN  116   2.64 +/- 0.88  70.160% * 91.8864% (0.57  10.13  98.67) =  98.670%  kept
          QD1   LEU   63 - HN    GLN  116   8.11 +/- 2.44  11.593% *  7.1033% (0.90   0.49   0.02) =   1.260%  kept
          QD1   LEU   73 - HN    GLN  116  15.92 +/- 3.93   9.776% *  0.2873% (0.90   0.02   0.02) =   0.043%
          QD2   LEU   63 - HN    GLN  116   9.39 +/- 2.25   5.609% *  0.2676% (0.84   0.02   0.02) =   0.023%
          QD1   LEU  104 - HN    GLN  116  14.72 +/- 1.67   0.847% *  0.0989% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN  116  18.34 +/- 1.61   0.401% *  0.1686% (0.53   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    GLN  116  16.57 +/- 1.75   0.608% *  0.0891% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    GLN  116  15.93 +/- 1.10   0.626% *  0.0494% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  18.42 +/- 1.94   0.380% *  0.0494% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.715, support = 2.01, residual support = 14.4:
          QD1   ILE  119 - HN    GLN  116   4.88 +/- 0.89  55.426% * 92.2654% (0.73   2.08  14.95) =  96.451%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.27 +/- 1.22  32.537% *  5.3343% (0.38   0.23   0.02) =   3.273%  kept
          QG2   VAL  108 - HN    GLN  116  10.36 +/- 1.24  10.047% *  1.2215% (1.00   0.02   0.02) =   0.231%  kept
          HB2   LEU  104 - HN    GLN  116  15.75 +/- 1.57   1.989% *  1.1788% (0.97   0.02   0.02) =   0.044%
    Distance limit 4.93 A violated in 0 structures by 0.13 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 1.3, residual support = 2.74:
          HA    LYS+ 112 - HN    LEU  115   3.18 +/- 0.29  95.455% * 74.8252% (0.90   1.30   2.75) =  99.483%  kept
          HB2   HIS  122 - HN    LEU  115  13.63 +/- 1.04   1.393% * 24.0272% (1.00   0.38   0.02) =   0.466%  kept
          HB    THR   46 - HN    LEU  115  11.39 +/- 2.11   3.153% *  1.1476% (0.90   0.02   0.02) =   0.050%
    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 = 0.245, support = 4.88, residual support = 94.6:
          HB2   GLN  116 - HN    LEU  115   4.46 +/- 0.23  77.378% * 69.8060% (0.22   5.07  98.67) =  95.924%  kept
          HB2   PRO   58 - HN    LEU  115  11.60 +/- 1.94   7.928% * 28.0354% (0.80   0.57   0.02) =   3.947%  kept
          HG2   PRO   52 - HN    LEU  115  12.29 +/- 3.28   9.432% *  0.5546% (0.45   0.02   0.02) =   0.093%
          HB3   PHE   97 - HN    LEU  115  12.77 +/- 0.98   3.552% *  0.4220% (0.34   0.02   0.02) =   0.027%
          HG3   GLU-  25 - HN    LEU  115  29.24 +/- 2.91   0.318% *  0.8003% (0.65   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HN    LEU  115  20.88 +/- 1.94   0.856% *  0.1909% (0.15   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HN    LEU  115  23.76 +/- 1.25   0.536% *  0.1909% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.36 A violated in 0 structures by 0.16 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.787, support = 7.12, residual support = 198.1:
      O   HB2   LEU  115 - HN    LEU  115   2.60 +/- 0.46  56.174% * 80.3450% (0.80  10.0   7.34 222.74) =  87.735%  kept
          QB    GLU- 114 - HN    LEU  115   3.27 +/- 0.37  32.744% * 19.2602% (0.69   1.0   5.59  21.68) =  12.260%  kept
          HB2   LYS+ 111 - HN    LEU  115   6.14 +/- 1.05   8.901% *  0.0155% (0.15   1.0   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    LEU  115  11.41 +/- 1.21   0.828% *  0.0838% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LEU  115  17.15 +/- 2.71   0.309% *  0.0838% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    LEU  115  16.52 +/- 2.92   0.398% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.48 +/- 2.82   0.119% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  18.16 +/- 2.72   0.248% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  22.24 +/- 3.11   0.124% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  23.60 +/- 2.88   0.098% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  27.69 +/- 2.64   0.056% *  0.0342% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.911, support = 7.5, residual support = 222.7:
      O   HB3   LEU  115 - HN    LEU  115   3.27 +/- 0.34  39.242% * 78.0193% (0.98  10.0   7.51 222.74) =  72.752%  kept
          HG    LEU  115 - HN    LEU  115   2.90 +/- 0.96  53.119% * 21.5792% (0.73   1.0   7.47 222.74) =  27.239%  kept
          QB    ALA  120 - HN    LEU  115   8.73 +/- 0.63   2.193% *  0.0578% (0.73   1.0   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    LEU  115  18.01 +/- 5.06   2.805% *  0.0451% (0.57   1.0   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    LEU  115  16.03 +/- 3.15   0.652% *  0.0796% (1.00   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU  115  16.31 +/- 2.13   0.331% *  0.0780% (0.98   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU  115  13.90 +/- 2.81   0.850% *  0.0299% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LEU  115  18.04 +/- 2.21   0.258% *  0.0387% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.02 +/- 2.86   0.426% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.08 +/- 1.76   0.125% *  0.0547% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.505, support = 1.38, residual support = 6.23:
          QG2   VAL  107 - HN    LEU  115   4.48 +/- 1.78  50.559% * 46.9413% (0.53   1.50   6.65) =  77.293%  kept
          HD3   LYS+ 112 - HN    LEU  115   5.27 +/- 1.52  37.233% *  9.4479% (0.15   1.03   2.75) =  11.456%  kept
          HG13  ILE  119 - HN    LEU  115   7.35 +/- 1.15   8.450% * 40.5101% (0.73   0.94   6.90) =  11.148%  kept
          HG2   LYS+ 121 - HN    LEU  115  12.46 +/- 1.29   1.594% *  0.9103% (0.76   0.02   0.02) =   0.047%
          QB    ALA   20 - HN    LEU  115  17.80 +/- 3.42   1.099% *  1.1885% (1.00   0.02   0.02) =   0.043%
          HB3   LEU   31 - HN    LEU  115  22.12 +/- 1.77   0.312% *  0.8182% (0.69   0.02   0.02) =   0.008%
          HG13  ILE  103 - HN    LEU  115  16.10 +/- 1.85   0.754% *  0.1838% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 8.9, residual support = 222.1:
          QD2   LEU  115 - HN    LEU  115   3.12 +/- 0.89  72.277% * 97.4111% (0.65   8.92 222.74) =  99.711%  kept
          QD1   LEU   63 - HN    LEU  115   8.63 +/- 2.62  12.071% *  1.5158% (0.31   0.29   0.02) =   0.259%  kept
          QD1   LEU   73 - HN    LEU  115  15.56 +/- 3.93  11.348% *  0.1042% (0.31   0.02   0.02) =   0.017%
          QD1   LEU  104 - HN    LEU  115  14.37 +/- 1.25   1.230% *  0.3027% (0.90   0.02   0.02) =   0.005%
          QG1   VAL   83 - HN    LEU  115  16.75 +/- 1.51   0.708% *  0.3193% (0.95   0.02   0.02) =   0.003%
          QG2   ILE   89 - HN    LEU  115  12.06 +/- 0.83   1.757% *  0.1151% (0.34   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    LEU  115  17.55 +/- 1.56   0.609% *  0.2318% (0.69   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 = 7.42, residual support = 222.7:
          QD1   LEU  115 - HN    LEU  115   3.45 +/- 0.74  97.518% * 99.6828% (0.80   7.43 222.74) =  99.992%  kept
          QG1   VAL   75 - HN    LEU  115  12.47 +/- 1.32   2.482% *  0.3172% (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 = 0.58, support = 6.77, residual support = 138.8:
      O   HB    ILE  103 - HN    ILE  103   2.37 +/- 0.48  63.395% * 65.0416% (0.53  10.0   6.73 138.77) =  80.388%  kept
          HG12  ILE  103 - HN    ILE  103   3.42 +/- 0.53  29.368% * 34.2390% (0.80   1.0   6.92 138.77) =  19.604%  kept
          HB    VAL   41 - HN    ILE  103   9.13 +/- 2.24   2.951% *  0.0800% (0.65   1.0   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HN    ILE  103   8.90 +/- 0.46   1.268% *  0.0554% (0.45   1.0   0.02   3.20) =   0.001%
          QB    LYS+ 106 - HN    ILE  103   8.23 +/- 1.46   1.582% *  0.0245% (0.20   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ILE  103  22.34 +/- 4.62   0.183% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  19.13 +/- 2.99   0.213% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.57 +/- 3.01   0.290% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  18.34 +/- 2.06   0.176% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  18.37 +/- 3.08   0.266% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  26.10 +/- 2.76   0.050% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  19.39 +/- 2.19   0.116% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.93 +/- 3.25   0.045% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.35 +/- 0.96   0.096% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.22, residual support = 138.7:
          HG13  ILE  103 - HN    ILE  103   3.90 +/- 0.54  83.300% * 98.5432% (0.65   6.22 138.77) =  99.955%  kept
          QG2   VAL  107 - HN    ILE  103  12.07 +/- 1.00   3.112% *  0.4852% (0.99   0.02   0.02) =   0.018%
          HG2   LYS+ 121 - HN    ILE  103  17.65 +/- 7.01   2.124% *  0.4724% (0.97   0.02   0.02) =   0.012%
          HB3   LEU   31 - HN    ILE  103  11.14 +/- 4.74   9.510% *  0.0857% (0.18   0.02   0.02) =   0.010%
          QB    ALA   20 - HN    ILE  103  18.60 +/- 1.94   0.923% *  0.3167% (0.65   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    ILE  103  19.22 +/- 3.04   1.031% *  0.0969% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.11 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.765, support = 6.14, residual support = 138.7:
          QG2   ILE  103 - HN    ILE  103   3.58 +/- 0.18  31.465% * 71.2159% (1.00   6.49 138.77) =  57.456%  kept
          QD1   ILE  103 - HN    ILE  103   2.69 +/- 0.85  59.480% * 27.8667% (0.45   5.67 138.77) =  42.499%  kept
          QD2   LEU   40 - HN    ILE  103   7.56 +/- 1.73   6.555% *  0.2118% (0.97   0.02   0.02) =   0.036%
          QD1   LEU   67 - HN    ILE  103  13.73 +/- 2.05   0.738% *  0.2151% (0.98   0.02   0.02) =   0.004%
          QD2   LEU   71 - HN    ILE  103  13.54 +/- 2.38   0.645% *  0.1242% (0.57   0.02   0.02) =   0.002%
          HB    VAL   75 - HN    ILE  103  15.19 +/- 2.47   0.643% *  0.0902% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    ILE  103  20.07 +/- 2.74   0.187% *  0.2151% (0.98   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    ILE  103  17.10 +/- 3.07   0.288% *  0.0610% (0.28   0.02   0.02) =   0.000%
    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 = 0.467, support = 6.97, residual support = 196.7:
          HG    LEU  104 - HN    LEU  104   3.33 +/- 0.65  72.402% * 74.3456% (0.45   7.44 214.10) =  91.876%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.17 +/- 1.17  19.628% * 24.1499% (0.69   1.58   0.43) =   8.091%  kept
          HB3   LYS+ 121 - HN    LEU  104  13.31 +/- 6.45   5.317% *  0.1998% (0.45   0.02   0.02) =   0.018%
          HG2   LYS+  33 - HN    LEU  104  17.38 +/- 2.41   0.766% *  0.4417% (0.99   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HN    LEU  104  19.33 +/- 2.29   0.689% *  0.2703% (0.61   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    LEU  104  18.19 +/- 2.68   0.694% *  0.2523% (0.57   0.02   0.02) =   0.003%
          QG    LYS+  81 - HN    LEU  104  19.07 +/- 2.57   0.503% *  0.3405% (0.76   0.02   0.02) =   0.003%
    Distance limit 3.72 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 = 0.272, support = 7.05, residual support = 141.1:
      O   HB2   LEU  104 - HN    LEU  104   2.91 +/- 0.61  39.142% * 65.9674% (0.22  10.0   7.38 214.10) =  58.520%  kept
          QG2   ILE  103 - HN    LEU  104   2.32 +/- 0.56  55.028% * 33.2438% (0.34   1.0   6.58  38.14) =  41.460%  kept
          QD2   LEU   40 - HN    LEU  104   5.78 +/- 1.15   4.386% *  0.1442% (0.49   1.0   0.02   0.02) =   0.014%
          QD1   LEU   67 - HN    LEU  104  11.85 +/- 2.35   0.688% *  0.1328% (0.45   1.0   0.02   0.02) =   0.002%
          HB    VAL   75 - HN    LEU  104  13.79 +/- 1.86   0.259% *  0.2937% (0.99   1.0   0.02   0.02) =   0.002%
          QD1   ILE  119 - HN    LEU  104  13.28 +/- 2.70   0.379% *  0.1442% (0.49   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU  104  18.57 +/- 2.19   0.118% *  0.0739% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 7.23, residual support = 165.0:
          QD2   LEU  104 - HN    LEU  104   3.01 +/- 0.90  63.255% * 62.7500% (0.80   7.82 214.10) =  75.673%  kept
          QD1   LEU   98 - HN    LEU  104   4.21 +/- 0.71  34.468% * 37.0139% (0.69   5.38  12.12) =  24.323%  kept
          QD1   ILE   19 - HN    LEU  104  15.84 +/- 1.80   0.659% *  0.1296% (0.65   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LEU  104  13.75 +/- 1.68   1.017% *  0.0618% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU  104  15.62 +/- 1.89   0.600% *  0.0446% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.656, support = 7.66, residual support = 56.5:
          HB2   PHE   97 - HN    ASP- 105   2.26 +/- 0.64  73.327% * 71.9341% (0.69   7.83  59.15) =  92.436%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.09 +/- 1.17  20.954% * 19.6384% (0.25   5.89  24.63) =   7.211%  kept
          QE    LYS+  99 - HN    ASP- 105   8.40 +/- 1.48   2.683% *  6.1601% (0.90   0.51   0.44) =   0.290%  kept
          QE    LYS+ 102 - HN    ASP- 105   8.41 +/- 1.61   1.876% *  1.8640% (0.41   0.34   0.02) =   0.061%
          QE    LYS+  38 - HN    ASP- 105  14.67 +/- 2.04   0.407% *  0.1730% (0.65   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    ASP- 105  16.88 +/- 1.43   0.241% *  0.1942% (0.73   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    ASP- 105  14.81 +/- 2.73   0.511% *  0.0362% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.62, residual support = 59.1:
          HB3   PHE   97 - HN    ASP- 105   3.14 +/- 0.63  88.706% * 98.7191% (0.90   5.62  59.15) =  99.969%  kept
          HB2   PRO   58 - HN    ASP- 105  18.20 +/- 5.14   5.792% *  0.1755% (0.45   0.02   0.02) =   0.012%
          HB2   GLU- 100 - HN    ASP- 105  11.58 +/- 1.32   2.538% *  0.3914% (1.00   0.02   0.02) =   0.011%
          HB2   GLN  116 - HN    ASP- 105  15.94 +/- 1.40   0.987% *  0.3836% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  79 - HN    ASP- 105  18.23 +/- 3.62   1.126% *  0.2216% (0.57   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    ASP- 105  17.20 +/- 2.21   0.851% *  0.1088% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.67, residual support = 41.9:
      O   HB2   ASP- 105 - HN    ASP- 105   3.61 +/- 0.20  84.207% * 99.3924% (0.80  10.0   4.67  41.92) =  99.990%  kept
          HG12  ILE  119 - HN    ASP- 105  13.12 +/- 3.41   3.070% *  0.0853% (0.69   1.0   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    ASP- 105  11.58 +/- 1.35   3.311% *  0.0604% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    ASP- 105  12.39 +/- 1.34   2.594% *  0.0345% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    ASP- 105  11.91 +/- 1.53   2.891% *  0.0246% (0.20   1.0   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP- 105  19.63 +/- 0.98   0.553% *  0.1241% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    ASP- 105  21.25 +/- 1.97   0.465% *  0.1217% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    ASP- 105  19.26 +/- 1.95   0.663% *  0.0703% (0.57   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP- 105  16.12 +/- 1.60   1.081% *  0.0423% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    ASP- 105  19.52 +/- 3.27   0.735% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  22.19 +/- 2.61   0.431% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.777, support = 4.58, residual support = 39.8:
      O   HB3   ASP- 105 - HN    ASP- 105   2.88 +/- 0.33  63.232% * 70.4660% (0.76  10.0   4.63  41.92) =  90.849%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.95 +/- 0.42  15.595% * 21.5758% (0.98   1.0   4.77  24.63) =   6.860%  kept
          HB    ILE  103 - HN    ASP- 105   5.46 +/- 0.87  15.296% *  7.3269% (0.69   1.0   2.31   3.20) =   2.285%  kept
          HB3   PRO   58 - HN    ASP- 105  17.80 +/- 5.14   2.606% *  0.0205% (0.22   1.0   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP- 105  17.15 +/- 2.77   0.473% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  15.79 +/- 2.87   0.571% *  0.0596% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  15.61 +/- 1.71   0.482% *  0.0670% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASP- 105  17.35 +/- 1.95   0.383% *  0.0800% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ASP- 105  18.39 +/- 1.54   0.290% *  0.0851% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ASP- 105  19.10 +/- 2.04   0.239% *  0.0890% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.57 +/- 1.89   0.410% *  0.0485% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.78 +/- 2.77   0.159% *  0.0670% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  18.38 +/- 1.13   0.264% *  0.0346% (0.38   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 = 0.556, support = 5.28, residual support = 30.4:
          HG    LEU  104 - HN    ASP- 105   4.47 +/- 0.75  46.275% * 51.0559% (0.45   6.42  35.12) =  54.656%  kept
          HG2   LYS+ 106 - HN    ASP- 105   4.84 +/- 0.93  41.003% * 47.7454% (0.69   3.92  24.63) =  45.289%  kept
          HB3   LYS+ 121 - HN    ASP- 105  11.75 +/- 6.45   8.794% *  0.1592% (0.45   0.02   0.02) =   0.032%
          HG2   LYS+  33 - HN    ASP- 105  18.46 +/- 2.12   0.879% *  0.3519% (0.99   0.02   0.02) =   0.007%
          HB3   LYS+ 111 - HN    ASP- 105  16.25 +/- 2.66   1.459% *  0.2010% (0.57   0.02   0.02) =   0.007%
          HD3   LYS+  74 - HN    ASP- 105  19.03 +/- 2.04   0.919% *  0.2153% (0.61   0.02   0.02) =   0.005%
          QG    LYS+  81 - HN    ASP- 105  19.14 +/- 2.21   0.671% *  0.2713% (0.76   0.02   0.02) =   0.004%
    Distance limit 4.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.274, support = 4.69, residual support = 21.3:
          HB2   LEU  104 - HN    ASP- 105   2.97 +/- 0.53  40.400% * 60.5878% (0.22   6.33  35.12) =  56.736%  kept
          QG2   ILE  103 - HN    ASP- 105   2.79 +/- 0.73  50.166% * 37.1247% (0.34   2.53   3.20) =  43.168%  kept
          QD2   LEU   40 - HN    ASP- 105   6.19 +/- 1.12   6.637% *  0.4182% (0.49   0.02   0.02) =   0.064%
          HB    VAL   75 - HN    ASP- 105  13.52 +/- 1.70   0.551% *  0.8516% (0.99   0.02   0.02) =   0.011%
          QD1   ILE  119 - HN    ASP- 105  11.94 +/- 2.70   1.016% *  0.4182% (0.49   0.02   0.02) =   0.010%
          QD1   LEU   67 - HN    ASP- 105  11.52 +/- 2.68   1.056% *  0.3852% (0.45   0.02   0.02) =   0.009%
          HG3   LYS+  74 - HN    ASP- 105  18.31 +/- 1.97   0.174% *  0.2142% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 3.8, residual support = 24.6:
          HB2   ASP- 105 - HN    LYS+ 106   2.98 +/- 0.47  85.150% * 91.1226% (0.98   3.81  24.63) =  99.781%  kept
          HG12  ILE  119 - HN    LYS+ 106  11.92 +/- 2.78   2.085% *  7.0410% (0.41   0.70   0.02) =   0.189%  kept
          HB2   MET   96 - HN    LYS+ 106   7.91 +/- 0.99   9.745% *  0.1507% (0.31   0.02   2.14) =   0.019%
          HG2   GLU- 100 - HN    LYS+ 106  15.54 +/- 1.50   0.851% *  0.3733% (0.76   0.02   0.02) =   0.004%
          HG3   MET   92 - HN    LYS+ 106  17.71 +/- 1.38   0.558% *  0.4380% (0.90   0.02   0.02) =   0.003%
          HB3   ASP-  76 - HN    LYS+ 106  19.90 +/- 1.90   0.451% *  0.4080% (0.84   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    LYS+ 106  23.83 +/- 1.51   0.231% *  0.3911% (0.80   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LYS+ 106  14.79 +/- 2.05   0.929% *  0.0754% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.966, support = 5.25, residual support = 127.0:
      O   QB    LYS+ 106 - HN    LYS+ 106   2.99 +/- 0.29  62.366% * 86.2905% (0.98  10.0   5.35 134.30) =  93.314%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.93 +/- 0.27  29.520% * 13.0464% (0.76   1.0   3.88  24.63) =   6.678%  kept
          HB    ILE  103 - HN    LYS+ 106   7.82 +/- 0.91   4.116% *  0.0605% (0.69   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    LYS+ 106  15.67 +/- 1.97   0.534% *  0.0764% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LYS+ 106  16.70 +/- 1.81   0.414% *  0.0813% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LYS+ 106  17.53 +/- 3.29   0.473% *  0.0569% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  19.31 +/- 1.76   0.269% *  0.0850% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  17.35 +/- 4.11   0.933% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  20.27 +/- 2.04   0.230% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.51 +/- 1.81   0.252% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  16.30 +/- 1.43   0.432% *  0.0330% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.12 +/- 1.60   0.267% *  0.0463% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.61 +/- 2.07   0.194% *  0.0639% (0.73   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 = 2.58, residual support = 3.13:
          QG2   THR  118 - HN    LYS+ 106   7.27 +/- 3.90 100.000% *100.0000% (0.53   2.58   3.13) = 100.000%  kept
    Distance limit 4.75 A violated in 8 structures by 2.70 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 43.2:
          HB2   PHE   95 - HN    VAL  107   3.15 +/- 0.77 100.000% *100.0000% (1.00   2.31  43.16) = 100.000%  kept
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.2:
      O   HB    VAL  107 - HN    VAL  107   2.64 +/- 0.49  93.897% * 99.7350% (0.99  10.0   3.33  60.22) =  99.996%  kept
          HB3   PHE   45 - HN    VAL  107  10.00 +/- 1.49   2.603% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    VAL  107   9.69 +/- 1.23   2.372% *  0.0691% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    VAL  107  17.46 +/- 2.43   0.686% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.76 +/- 1.48   0.269% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.75 +/- 1.81   0.172% *  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 = 5.0, residual support = 25.9:
          QB    LYS+ 106 - HN    VAL  107   3.25 +/- 0.27  76.362% * 84.5018% (0.53   5.08  26.49) =  97.787%  kept
          HB3   ASP- 105 - HN    VAL  107   6.24 +/- 0.52  12.398% * 11.4852% (0.25   1.46   0.02) =   2.158%  kept
          HB2   MET   92 - HN    VAL  107  12.85 +/- 1.43   1.417% *  0.5666% (0.90   0.02   0.02) =   0.012%
          HB    ILE   56 - HN    VAL  107  13.42 +/- 2.30   1.286% *  0.5832% (0.92   0.02   0.02) =   0.011%
          HB3   PRO   58 - HN    VAL  107  16.01 +/- 3.19   1.195% *  0.4587% (0.73   0.02   0.02) =   0.008%
          HB    ILE  103 - HN    VAL  107   9.77 +/- 1.29   3.209% *  0.1250% (0.20   0.02   0.02) =   0.006%
          HB3   GLN   90 - HN    VAL  107  14.08 +/- 1.76   1.121% *  0.2597% (0.41   0.02   0.02) =   0.004%
          HB3   GLN   30 - HN    VAL  107  18.60 +/- 1.17   0.431% *  0.6192% (0.98   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    VAL  107  20.90 +/- 1.51   0.321% *  0.6262% (0.99   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    VAL  107  17.35 +/- 1.90   0.582% *  0.3075% (0.49   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    VAL  107  17.17 +/- 2.72   0.889% *  0.1106% (0.18   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    VAL  107  20.49 +/- 1.60   0.352% *  0.2155% (0.34   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    VAL  107  18.82 +/- 2.10   0.437% *  0.1407% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.197, support = 4.13, residual support = 60.1:
          QG1   VAL  107 - HN    VAL  107   3.33 +/- 0.60  81.203% * 91.2348% (0.20   4.14  60.22) =  99.725%  kept
          HG13  ILE  119 - HN    VAL  107  11.63 +/- 2.30   2.859% *  2.2061% (0.99   0.02   0.02) =   0.085%
          HG2   LYS+ 121 - HN    VAL  107  13.07 +/- 5.52   9.886% *  0.5550% (0.25   0.02   0.02) =   0.074%
          HD3   LYS+ 112 - HN    VAL  107  10.81 +/- 1.53   3.582% *  1.3500% (0.61   0.02   0.02) =   0.065%
          HB3   LEU   31 - HN    VAL  107  16.83 +/- 1.83   0.790% *  2.2208% (1.00   0.02   0.02) =   0.024%
          QB    ALA   20 - HN    VAL  107  17.36 +/- 2.17   0.901% *  1.3500% (0.61   0.02   0.02) =   0.016%
          QG1   VAL   24 - HN    VAL  107  16.99 +/- 2.24   0.779% *  1.0834% (0.49   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 = 4.73, residual support = 65.1:
      O   HB    VAL  108 - HN    VAL  108   2.72 +/- 0.42  90.814% * 99.4150% (0.95  10.0   4.73  65.12) =  99.994%  kept
          HB2   PRO   93 - HN    VAL  108  10.38 +/- 1.90   2.821% *  0.0994% (0.95   1.0   0.02   0.02) =   0.003%
          HB    ILE  119 - HN    VAL  108  13.34 +/- 2.53   1.748% *  0.0803% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    VAL  108  17.76 +/- 4.13   2.501% *  0.0184% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    VAL  108  18.73 +/- 1.47   0.408% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  20.95 +/- 1.37   0.252% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  22.41 +/- 1.41   0.204% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  16.36 +/- 2.52   0.587% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.87 +/- 1.41   0.168% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.25 +/- 3.11   0.343% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  30.12 +/- 3.01   0.095% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  35.18 +/- 4.87   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 = 3.63, residual support = 19.8:
          QG2   VAL  107 - HN    VAL  108   3.68 +/- 0.44  78.237% * 92.9854% (0.28   3.64  19.88) =  99.712%  kept
          HG2   LYS+ 121 - HN    VAL  108  14.04 +/- 5.34  12.570% *  0.8953% (0.49   0.02   0.02) =   0.154%  kept
          HG13  ILE  119 - HN    VAL  108  12.89 +/- 2.15   2.519% *  1.7399% (0.95   0.02   0.02) =   0.060%
          HD3   LYS+ 112 - HN    VAL  108  10.83 +/- 1.38   4.655% *  0.6274% (0.34   0.02   0.02) =   0.040%
          QB    ALA   20 - HN    VAL  108  19.73 +/- 2.18   0.746% *  1.5955% (0.87   0.02   0.02) =   0.016%
          HB3   LEU   31 - HN    VAL  108  20.37 +/- 1.83   0.559% *  1.6979% (0.92   0.02   0.02) =   0.013%
          QG1   VAL   24 - HN    VAL  108  19.13 +/- 2.18   0.714% *  0.4586% (0.25   0.02   0.02) =   0.004%
    Distance limit 3.69 A violated in 0 structures by 0.17 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.65, residual support = 19.9:
          QG1   VAL  107 - HN    VAL  108   3.49 +/- 0.47  91.914% * 95.7582% (0.25   4.66  19.88) =  99.887%  kept
          HG3   LYS+ 112 - HN    VAL  108  10.22 +/- 1.27   5.008% *  1.0005% (0.61   0.02   0.02) =   0.057%
          HG    LEU   63 - HN    VAL  108  14.63 +/- 2.78   2.173% *  1.5919% (0.97   0.02   0.02) =   0.039%
          QG2   VAL   24 - HN    VAL  108  18.27 +/- 2.28   0.904% *  1.6495% (1.00   0.02   0.02) =   0.017%
    Distance limit 3.55 A violated in 0 structures by 0.17 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   2.22 +/- 0.06  98.549% * 99.6957% (0.69  10.0   4.64  26.37) =  99.999%  kept
          HA    ALA   61 - HN    ASP-  76  11.83 +/- 2.23   0.888% *  0.0997% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    ASP-  76  18.30 +/- 3.19   0.251% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  16.08 +/- 2.02   0.312% *  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   2.70 +/- 0.43  88.114% * 96.2744% (1.00  10.0   3.66  35.74) =  99.686%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.75 +/- 0.50   7.450% *  3.5735% (0.73   1.0   1.02   4.09) =   0.313%  kept
          HB2   ASN   69 - HN    ASP-  76  18.37 +/- 2.91   0.672% *  0.0944% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  12.79 +/- 3.45   2.140% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  15.04 +/- 3.10   1.154% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  16.64 +/- 1.45   0.469% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.05 +/- 0.53  79.257% * 94.1596% (0.28  10.0   3.71  35.74) =  99.688%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.37 +/- 1.31   5.124% *  3.9745% (0.45   1.0   0.52   0.02) =   0.272%  kept
          QG    GLU-  15 - HN    ASP-  76  16.55 +/- 4.28   5.437% *  0.1155% (0.34   1.0   0.02   0.02) =   0.008%
          HG3   MET   92 - HN    ASP-  76  13.20 +/- 4.27   2.002% *  0.2938% (0.87   1.0   0.02   0.02) =   0.008%
          QG    GLN   90 - HN    ASP-  76  12.33 +/- 2.21   2.016% *  0.2191% (0.65   1.0   0.02   0.02) =   0.006%
          HB2   GLU-  29 - HN    ASP-  76  14.51 +/- 3.50   1.261% *  0.3204% (0.95   1.0   0.02   0.02) =   0.005%
          HB3   PHE   72 - HN    ASP-  76  11.23 +/- 1.21   1.976% *  0.1917% (0.57   1.0   0.02   0.02) =   0.005%
          QG    GLU-  14 - HN    ASP-  76  16.62 +/- 4.33   1.275% *  0.1648% (0.49   1.0   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    ASP-  76  18.08 +/- 2.27   0.551% *  0.3204% (0.95   1.0   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    ASP-  76  17.77 +/- 1.63   0.552% *  0.1648% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP-  76  20.97 +/- 2.91   0.550% *  0.0754% (0.22   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.4:
          QG1   VAL   75 - HN    ASP-  76   2.97 +/- 0.40  98.353% * 99.7155% (0.69   4.97  26.37) =  99.995%  kept
          QD1   LEU  115 - HN    ASP-  76  12.64 +/- 1.33   1.647% *  0.2845% (0.49   0.02   0.02) =   0.005%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.4:
          QG2   VAL   75 - HN    ASP-  76   3.68 +/- 0.47  94.385% * 99.6072% (0.98   4.64  26.37) =  99.977%  kept
          QG2   VAL   42 - HN    ASP-  76  10.44 +/- 1.11   5.615% *  0.3928% (0.90   0.02   0.02) =   0.023%
    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 = 9.34:
      O   HA2   GLY  109 - HN    GLY  109   2.76 +/- 0.22  94.447% * 99.3336% (0.43  10.0   2.20   9.34) =  99.991%  kept
          HA    THR  118 - HN    GLY  109  12.93 +/- 3.08   2.507% *  0.1522% (0.65   1.0   0.02   0.02) =   0.004%
          HB2   TRP   49 - HN    GLY  109  17.81 +/- 4.14   0.840% *  0.1620% (0.70   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    GLY  109  14.56 +/- 3.58   0.976% *  0.1341% (0.58   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    GLY  109  15.18 +/- 2.33   0.769% *  0.1693% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    GLY  109  17.49 +/- 2.50   0.461% *  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 = 0.66, support = 0.143, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   7.47 +/- 1.70  40.271% * 29.5646% (0.70   0.13   0.02) =  79.356%  kept
          HG2   LYS+  74 - HN    GLY  109  18.52 +/- 2.24   2.833% * 55.5382% (0.46   0.37   0.02) =  10.487%  kept
          HG12  ILE   89 - HN    GLY  109  10.60 +/- 2.97  20.953% *  4.7912% (0.73   0.02   0.02) =   6.691%  kept
          HD2   LYS+ 112 - HN    GLY  109   9.76 +/- 1.75  23.260% *  0.9825% (0.15   0.02   0.02) =   1.523%  kept
          HG    LEU   71 - HN    GLY  109  22.01 +/- 4.98   4.785% *  3.2116% (0.49   0.02   0.02) =   1.024%  kept
          HG3   LYS+  99 - HN    GLY  109  21.33 +/- 1.32   2.023% *  2.8107% (0.43   0.02   0.02) =   0.379%  kept
          HB3   LEU   71 - HN    GLY  109  21.65 +/- 4.56   4.558% *  1.2379% (0.19   0.02   0.02) =   0.376%  kept
          HG13  ILE   19 - HN    GLY  109  24.66 +/- 2.22   1.316% *  1.8633% (0.28   0.02   0.02) =   0.163%  kept
    Distance limit 4.68 A violated in 10 structures by 1.88 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.41:
          QG1   VAL  108 - HN    GLY  109   2.74 +/- 0.28  97.826% * 98.9380% (0.65   3.09   7.41) =  99.992%  kept
          QD1   LEU   40 - HN    GLY  109  15.25 +/- 1.36   0.686% *  0.5069% (0.52   0.02   0.02) =   0.004%
          QD2   LEU   67 - HN    GLY  109  17.16 +/- 2.87   0.707% *  0.3034% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    GLY  109  16.52 +/- 2.50   0.781% *  0.2517% (0.26   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 = 6.41:
      O   HA2   GLY  109 - HN    ALA  110   2.77 +/- 0.40  95.574% * 99.3336% (0.57  10.0   2.20   6.41) =  99.993%  kept
          HA    THR  118 - HN    ALA  110  12.97 +/- 2.50   1.277% *  0.1522% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   TRP   49 - HN    ALA  110  17.37 +/- 4.10   0.958% *  0.1620% (0.92   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    ALA  110  15.24 +/- 2.05   0.718% *  0.1693% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    ALA  110  16.59 +/- 3.62   0.896% *  0.1341% (0.76   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  110  18.88 +/- 3.21   0.577% *  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 = 0.58, support = 0.02, residual support = 0.2:
          HB3   PRO   52 - HN    ALA  110  13.80 +/- 4.15  10.285% * 13.7167% (0.98   0.02   0.02) =  24.962%  kept
          HG2   PRO   93 - HN    ALA  110   7.96 +/- 3.44  32.491% *  3.1155% (0.22   0.02   1.03) =  17.912%  kept
          QB    LYS+ 106 - HN    ALA  110   9.64 +/- 1.17  17.091% *  2.7693% (0.20   0.02   0.02) =   8.375%  kept
          QB    LYS+  66 - HN    ALA  110  17.93 +/- 3.03   7.541% *  6.2738% (0.45   0.02   0.02) =   8.371%  kept
          HG    LEU  123 - HN    ALA  110  19.11 +/- 2.27   2.947% * 13.7167% (0.98   0.02   0.02) =   7.153%  kept
          HB3   ASP- 105 - HN    ALA  110  14.18 +/- 1.39   5.526% *  6.2738% (0.45   0.02   0.02) =   6.135%  kept
          HG12  ILE  103 - HN    ALA  110  17.40 +/- 2.20   2.840% * 11.2053% (0.80   0.02   0.02) =   5.632%  kept
          HB3   GLN   90 - HN    ALA  110  13.88 +/- 3.35   7.772% *  3.8908% (0.28   0.02   0.02) =   5.351%  kept
          HG3   PRO   68 - HN    ALA  110  22.27 +/- 3.55   2.998% *  7.9226% (0.57   0.02   0.02) =   4.202%  kept
          HB    ILE  103 - HN    ALA  110  17.76 +/- 2.08   2.850% *  7.3624% (0.53   0.02   0.02) =   3.713%  kept
          HG2   ARG+  54 - HN    ALA  110  17.63 +/- 2.37   2.922% *  6.8115% (0.49   0.02   0.02) =   3.521%  kept
          HB    VAL   41 - HN    ALA  110  21.00 +/- 2.37   1.741% *  9.0526% (0.65   0.02   0.02) =   2.788%  kept
          QB    LYS+  81 - HN    ALA  110  19.58 +/- 3.09   2.205% *  3.1155% (0.22   0.02   0.02) =   1.216%  kept
          QB    LYS+  33 - HN    ALA  110  26.87 +/- 2.42   0.791% *  4.7734% (0.34   0.02   0.02) =   0.668%  kept
    Distance limit 4.44 A violated in 11 structures by 2.19 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.67 +/- 0.31  90.954% * 98.9553% (0.69  10.0   2.12   9.58) =  99.991%  kept
          HB3   LEU  115 - HN    ALA  110   9.23 +/- 2.10   4.528% *  0.0592% (0.41   1.0   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ALA  110  18.89 +/- 3.67   1.192% *  0.1428% (0.99   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ALA  110  15.21 +/- 2.63   1.092% *  0.1292% (0.90   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ALA  110  20.89 +/- 4.60   0.485% *  0.1292% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA  110  20.67 +/- 3.25   0.304% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  21.16 +/- 3.07   0.245% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.82 +/- 2.04   0.174% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.97 +/- 2.34   0.274% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.76 +/- 3.62   0.308% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  25.39 +/- 3.20   0.137% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  20.10 +/- 3.50   0.307% *  0.0321% (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 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.05, residual support = 314.7:
      O   HB2   LYS+ 111 - HN    LYS+ 111   2.96 +/- 0.71  64.146% * 99.1876% (1.00  10.0   7.06 315.10) =  99.881%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.05 +/- 0.95  32.538% *  0.2277% (0.53   1.0   0.09   1.54) =   0.116%  kept
          HB3   PRO   68 - HN    LYS+ 111  22.41 +/- 3.38   0.653% *  0.0892% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LYS+ 111  13.22 +/- 1.05   1.039% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  21.42 +/- 3.67   0.584% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  26.14 +/- 3.60   0.211% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  27.07 +/- 3.33   0.142% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  29.35 +/- 3.47   0.098% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  24.89 +/- 2.90   0.175% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  26.62 +/- 2.27   0.131% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.67 +/- 2.22   0.136% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  25.48 +/- 2.01   0.144% *  0.0248% (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 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 315.1:
      O   HB3   LYS+ 111 - HN    LYS+ 111   3.04 +/- 0.50  93.658% * 99.4649% (0.92  10.0   5.49 315.10) =  99.995%  kept
          QD    LYS+  66 - HN    LYS+ 111  18.15 +/- 3.72   2.673% *  0.0863% (0.80   1.0   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HN    LYS+ 111  15.58 +/- 2.00   0.965% *  0.1056% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+ 111  15.39 +/- 2.45   0.956% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  20.13 +/- 2.66   0.426% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  19.79 +/- 2.21   0.379% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  20.21 +/- 3.53   0.543% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  23.43 +/- 2.27   0.270% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.75 +/- 2.57   0.129% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 6.52, residual support = 311.0:
          HG3   LYS+ 111 - HN    LYS+ 111   3.47 +/- 0.27  86.262% * 86.9331% (0.92   6.55 315.10) =  98.581%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.88 +/- 0.97   8.856% * 12.0864% (0.20   4.25  28.63) =   1.407%  kept
          HG12  ILE   89 - HN    LYS+ 111  14.30 +/- 2.19   1.646% *  0.2775% (0.97   0.02   0.02) =   0.006%
          HG    LEU   71 - HN    LYS+ 111  22.82 +/- 5.60   1.056% *  0.1860% (0.65   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HN    LYS+ 111  19.11 +/- 2.63   0.650% *  0.1744% (0.61   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    LYS+ 111  22.62 +/- 5.24   0.909% *  0.0717% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    LYS+ 111  23.43 +/- 2.26   0.343% *  0.1628% (0.57   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    LYS+ 111  25.30 +/- 3.04   0.277% *  0.1079% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.07 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.73, support = 0.02, residual support = 0.02:
          QD1   ILE   56 - HN    LYS+ 111   9.24 +/- 2.98  50.560% * 26.3685% (0.76   0.02   0.02) =  58.190%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  16.32 +/- 2.35  13.915% * 33.2982% (0.97   0.02   0.02) =  20.224%  kept
          QD2   LEU   73 - HN    LYS+ 111  17.28 +/- 3.46  15.212% * 16.7946% (0.49   0.02   0.02) =  11.151%  kept
          QD2   LEU  123 - HN    LYS+ 111  16.10 +/- 1.21  16.159% * 11.7694% (0.34   0.02   0.02) =   8.301%  kept
          HG    LEU   31 - HN    LYS+ 111  24.00 +/- 2.12   4.154% * 11.7694% (0.34   0.02   0.02) =   2.134%  kept
    Distance limit 3.90 A violated in 18 structures by 4.75 A, eliminated.
    Peak unassigned.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.77, residual support = 237.2:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.78 +/- 0.07  95.479% * 99.8622% (0.87  10.0   5.77 237.18) =  99.998%  kept
          HB    THR   46 - HN    LYS+ 112  10.81 +/- 3.05   3.825% *  0.0393% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   HIS  122 - HN    LYS+ 112  17.74 +/- 1.48   0.409% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  24.53 +/- 4.84   0.287% *  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 = 0.862, support = 6.98, residual support = 28.4:
          HB2   LYS+ 111 - HN    LYS+ 112   3.62 +/- 0.42  65.876% * 95.6677% (0.87   7.04  28.63) =  99.121%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.34 +/- 0.50  23.634% *  2.3110% (0.28   0.53   3.76) =   0.859%  kept
          HB    ILE  119 - HN    LYS+ 112  11.96 +/- 1.37   2.462% *  0.1526% (0.49   0.02   0.02) =   0.006%
          HB    VAL  108 - HN    LYS+ 112  11.27 +/- 1.29   2.508% *  0.0872% (0.28   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    LYS+ 112  12.00 +/- 2.57   2.692% *  0.0698% (0.22   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    LYS+ 112  20.70 +/- 3.51   0.496% *  0.3135% (1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LYS+ 112  23.92 +/- 4.32   0.314% *  0.2511% (0.80   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    LYS+ 112  25.42 +/- 3.78   0.249% *  0.2511% (0.80   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    LYS+ 112  25.27 +/- 2.71   0.223% *  0.2511% (0.80   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    LYS+ 112  24.28 +/- 2.64   0.258% *  0.1526% (0.49   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+ 112  28.26 +/- 3.76   0.198% *  0.1902% (0.61   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+ 112  19.76 +/- 3.68   0.565% *  0.0549% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  26.95 +/- 1.70   0.173% *  0.1775% (0.57   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.03 +/- 3.34   0.353% *  0.0698% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 237.1:
      O   HB2   LYS+ 112 - HN    LYS+ 112   3.11 +/- 0.48  73.540% * 98.9690% (0.76  10.0   5.73 237.18) =  99.986%  kept
          HB3   PRO   93 - HN    LYS+ 112   7.26 +/- 2.93  19.468% *  0.0200% (0.15   1.0   0.02   0.02) =   0.005%
          HB3   LEU   73 - HN    LYS+ 112  19.07 +/- 5.29   1.725% *  0.1123% (0.87   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LYS+ 112  17.50 +/- 3.71   0.949% *  0.1195% (0.92   1.0   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+ 112  16.66 +/- 2.94   0.901% *  0.1195% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+ 112  14.94 +/- 1.16   0.779% *  0.0838% (0.65   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 112  17.63 +/- 1.38   0.497% *  0.0890% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 112  18.72 +/- 3.12   0.673% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  16.00 +/- 1.87   0.630% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  24.58 +/- 1.87   0.169% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  27.75 +/- 3.92   0.144% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  27.79 +/- 2.85   0.136% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  20.11 +/- 2.93   0.389% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.879, support = 6.02, residual support = 237.2:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.38 +/- 0.50  72.882% * 84.2664% (0.90  10.0   5.99 237.18) =  95.681%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.59 +/- 0.64  17.823% * 15.5379% (0.49   1.0   6.79 237.18) =   4.315%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.64 +/- 1.35   7.206% *  0.0186% (0.20   1.0   0.02   0.02) =   0.002%
          QG2   THR   94 - HN    LYS+ 112   9.59 +/- 1.16   1.386% *  0.0815% (0.87   1.0   0.02   0.02) =   0.002%
          HB3   LEU   71 - HN    LYS+ 112  21.45 +/- 5.33   0.494% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  18.38 +/- 1.71   0.209% *  0.0570% (0.61   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 = 0.342, support = 6.22, residual support = 236.7:
          HG2   LYS+ 112 - HN    LYS+ 112   3.91 +/- 0.54  76.484% * 98.1764% (0.34   6.23 237.18) =  99.788%  kept
          QB    ALA   47 - HN    LYS+ 112   9.37 +/- 2.41  15.195% *  0.7396% (0.80   0.02   0.02) =   0.149%  kept
          QG1   VAL   42 - HN    LYS+ 112  12.36 +/- 2.27   5.296% *  0.6345% (0.69   0.02   0.02) =   0.045%
          QB    ALA   64 - HN    LYS+ 112  13.58 +/- 1.80   3.026% *  0.4496% (0.49   0.02   0.02) =   0.018%
    Distance limit 4.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 0.953, residual support = 4.85:
          QD1   ILE   56 - HN    LYS+ 112   6.84 +/- 3.05  57.191% * 94.5167% (0.76   0.96   4.90) =  98.979%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  16.46 +/- 1.16   7.931% *  2.4797% (0.97   0.02   0.02) =   0.360%  kept
          QD2   LEU   73 - HN    LYS+ 112  16.01 +/- 3.96  14.755% *  1.2507% (0.49   0.02   0.02) =   0.338%  kept
          QD2   LEU  123 - HN    LYS+ 112  15.07 +/- 2.06  16.538% *  0.8765% (0.34   0.02   0.02) =   0.265%  kept
          HG    LEU   31 - HN    LYS+ 112  23.28 +/- 2.57   3.585% *  0.8765% (0.34   0.02   0.02) =   0.058%
    Distance limit 4.05 A violated in 9 structures by 2.46 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.91, residual support = 237.1:
          HG3   LYS+ 112 - HN    LYS+ 112   3.41 +/- 0.48  89.984% * 99.2139% (0.87   5.91 237.18) =  99.977%  kept
          HG    LEU   63 - HN    LYS+ 112  13.58 +/- 2.88   3.953% *  0.3793% (0.98   0.02   0.02) =   0.017%
          QG2   VAL  108 - HN    LYS+ 112   9.45 +/- 0.77   5.457% *  0.0597% (0.15   0.02   0.02) =   0.004%
          QG2   VAL   24 - HN    LYS+ 112  19.80 +/- 3.27   0.606% *  0.3471% (0.90   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.14 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.34, residual support = 16.2:
      O   HA    LYS+ 112 - HN    ASP- 113   3.57 +/- 0.04  94.690% * 99.8622% (0.74  10.0   5.34  16.23) =  99.998%  kept
          HB    THR   46 - HN    ASP- 113  12.31 +/- 2.62   3.837% *  0.0393% (0.29   1.0   0.02   0.02) =   0.002%
          HB2   HIS  122 - HN    ASP- 113  16.81 +/- 1.28   0.965% *  0.0698% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    ASP- 113  25.70 +/- 5.19   0.508% *  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 = 3.46, residual support = 14.4:
      O   QB    ASP- 113 - HN    ASP- 113   2.20 +/- 0.23 100.000% *100.0000% (0.82  10.0   3.46  14.37) = 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 = 0.265, support = 3.12, residual support = 25.1:
          QG    GLU- 114 - HN    ASP- 113   4.60 +/- 0.59  68.742% * 94.0818% (0.26   3.14  25.27) =  99.383%  kept
          HG2   PRO   52 - HN    ASP- 113  11.10 +/- 4.27  22.777% *  1.4838% (0.65   0.02   0.02) =   0.519%  kept
          HB2   PRO   58 - HN    ASP- 113  12.86 +/- 1.73   3.749% *  0.9451% (0.41   0.02   0.02) =   0.054%
          HG2   MET   92 - HN    ASP- 113  13.70 +/- 2.54   3.668% *  0.4841% (0.21   0.02   0.02) =   0.027%
          HG3   GLU-  25 - HN    ASP- 113  31.14 +/- 3.71   0.260% *  1.7923% (0.79   0.02   0.02) =   0.007%
          HB2   GLU-  79 - HN    ASP- 113  22.53 +/- 1.69   0.623% *  0.7287% (0.32   0.02   0.02) =   0.007%
          HG3   GLU-  36 - HN    ASP- 113  33.70 +/- 3.05   0.182% *  0.4841% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.727, support = 2.6, residual support = 10.3:
          HB2   LYS+ 111 - HN    ASP- 113   3.69 +/- 0.49  61.798% * 52.0931% (0.85   2.17   3.65) =  69.284%  kept
          QB    GLU- 114 - HN    ASP- 113   4.72 +/- 0.29  31.629% * 45.0771% (0.45   3.56  25.27) =  30.685%  kept
          HB    ILE  119 - HN    ASP- 113  10.49 +/- 1.04   3.063% *  0.1200% (0.21   0.02   0.02) =   0.008%
          HB3   PRO   68 - HN    ASP- 113  20.61 +/- 3.10   0.834% *  0.4315% (0.76   0.02   0.02) =   0.008%
          HB2   GLN   17 - HN    ASP- 113  24.18 +/- 3.89   0.398% *  0.4716% (0.84   0.02   0.02) =   0.004%
          HG2   PRO   68 - HN    ASP- 113  19.58 +/- 3.43   0.884% *  0.1806% (0.32   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    ASP- 113  25.64 +/- 3.44   0.258% *  0.4716% (0.84   0.02   0.02) =   0.003%
          HB    ILE   19 - HN    ASP- 113  23.70 +/- 3.21   0.353% *  0.2157% (0.38   0.02   0.02) =   0.002%
          HB3   GLU-  25 - HN    ASP- 113  29.55 +/- 3.43   0.149% *  0.4173% (0.74   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASP- 113  26.11 +/- 2.87   0.219% *  0.2531% (0.45   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASP- 113  25.09 +/- 2.56   0.237% *  0.1200% (0.21   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    ASP- 113  27.31 +/- 1.56   0.177% *  0.1485% (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 = 6.0, residual support = 16.2:
          HB2   LYS+ 112 - HN    ASP- 113   3.43 +/- 0.35  83.582% * 96.6466% (0.65   6.00  16.23) =  99.963%  kept
          HB3   PRO   93 - HN    ASP- 113   8.94 +/- 2.12   8.267% *  0.0650% (0.13   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    ASP- 113  17.71 +/- 2.81   1.352% *  0.3888% (0.79   0.02   0.02) =   0.007%
          HB3   LEU   73 - HN    ASP- 113  20.04 +/- 4.99   1.350% *  0.3654% (0.74   0.02   0.02) =   0.006%
          HB    VAL   42 - HN    ASP- 113  17.18 +/- 2.88   0.988% *  0.3888% (0.79   0.02   0.02) =   0.005%
          HG3   LYS+ 106 - HN    ASP- 113  15.53 +/- 1.21   1.001% *  0.2725% (0.55   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    ASP- 113  15.06 +/- 1.87   1.170% *  0.1581% (0.32   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    ASP- 113  18.26 +/- 1.15   0.622% *  0.2893% (0.59   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    ASP- 113  19.72 +/- 3.05   0.660% *  0.1732% (0.35   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ASP- 113  25.13 +/- 1.89   0.237% *  0.3518% (0.71   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    ASP- 113  28.06 +/- 3.51   0.182% *  0.3888% (0.79   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ASP- 113  28.49 +/- 2.76   0.169% *  0.4065% (0.82   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ASP- 113  21.70 +/- 2.33   0.421% *  0.1050% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.06 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.713, support = 4.9, residual support = 16.1:
          HB3   LYS+ 112 - HN    ASP- 113   3.32 +/- 0.35  68.093% * 59.2283% (0.76   4.80  16.23) =  85.516%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.90 +/- 0.62  17.280% * 38.0473% (0.41   5.68  16.23) =  13.940%  kept
          QG2   VAL  107 - HN    ASP- 113   6.90 +/- 1.35  11.321% *  2.2053% (0.17   0.81   0.02) =   0.529%  kept
          QG2   THR   94 - HN    ASP- 113  10.72 +/- 0.93   2.337% *  0.2389% (0.74   0.02   0.02) =   0.012%
          HG13  ILE  103 - HN    ASP- 113  19.17 +/- 1.66   0.399% *  0.1670% (0.52   0.02   0.02) =   0.001%
          HB3   LEU   71 - HN    ASP- 113  21.89 +/- 5.24   0.569% *  0.1132% (0.35   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.66, residual support = 25.3:
      O   HA    ASP- 113 - HN    GLU- 114   3.54 +/- 0.04  88.210% * 99.6702% (1.00  10.0   3.66  25.27) =  99.992%  kept
          HA    ILE   56 - HN    GLU- 114  10.40 +/- 2.22   5.611% *  0.0606% (0.61   1.0   0.02   0.02) =   0.004%
          HA    PHE   59 - HN    GLU- 114  10.72 +/- 1.52   4.083% *  0.0606% (0.61   1.0   0.02   0.02) =   0.003%
          HA    LEU  123 - HN    GLU- 114  16.68 +/- 0.73   0.868% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.01 +/- 1.15   0.438% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  27.82 +/- 2.30   0.195% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  19.27 +/- 1.61   0.594% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.66, residual support = 25.3:
          QB    ASP- 113 - HN    GLU- 114   3.04 +/- 0.37  97.668% * 99.8742% (0.97   3.66  25.27) =  99.997%  kept
          HB2   ASP-  62 - HN    GLU- 114  12.94 +/- 2.28   2.332% *  0.1258% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.32, residual support = 43.4:
          QG    GLU- 114 - HN    GLU- 114   2.50 +/- 0.48  93.454% * 97.6852% (0.84   4.32  43.39) =  99.963%  kept
          HG2   PRO   52 - HN    GLU- 114  12.61 +/- 3.76   5.343% *  0.5310% (0.98   0.02   0.02) =   0.031%
          HG2   MET   92 - HN    GLU- 114  14.12 +/- 2.29   0.818% *  0.4140% (0.76   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HN    GLU- 114  22.44 +/- 1.66   0.211% *  0.4859% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    GLU- 114  30.81 +/- 3.12   0.111% *  0.4699% (0.87   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    GLU- 114  32.62 +/- 2.99   0.064% *  0.4140% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.839, support = 4.06, residual support = 41.0:
      O   QB    GLU- 114 - HN    GLU- 114   2.34 +/- 0.18  74.412% * 84.1949% (0.84  10.0   4.11  43.39) =  94.300%  kept
          HB2   LYS+ 111 - HN    GLU- 114   4.00 +/- 0.98  24.779% * 15.2811% (0.90   1.0   3.38   1.54) =   5.699%  kept
          HG2   PRO   68 - HN    GLU- 114  19.03 +/- 3.16   0.216% *  0.0692% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  20.12 +/- 2.77   0.197% *  0.0611% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.13 +/- 3.38   0.112% *  0.0954% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.43 +/- 2.97   0.096% *  0.0770% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  25.34 +/- 3.11   0.074% *  0.0954% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  29.27 +/- 2.86   0.045% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  25.56 +/- 2.78   0.069% *  0.0251% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.921, support = 0.882, residual support = 1.53:
          HB3   LYS+ 111 - HN    GLU- 114   4.07 +/- 0.60  75.202% * 89.1857% (0.92   0.89   1.54) =  99.410%  kept
          QD    LYS+  66 - HN    GLU- 114  15.78 +/- 3.61  14.661% *  1.7436% (0.80   0.02   0.02) =   0.379%  kept
          HB3   LYS+ 121 - HN    GLU- 114  12.49 +/- 1.25   2.868% *  2.1344% (0.98   0.02   0.02) =   0.091%
          HD2   LYS+ 121 - HN    GLU- 114  12.39 +/- 1.82   3.226% *  0.8952% (0.41   0.02   0.02) =   0.043%
          HD3   LYS+  74 - HN    GLU- 114  19.20 +/- 2.18   0.963% *  1.9529% (0.90   0.02   0.02) =   0.028%
          HG    LEU  104 - HN    GLU- 114  18.65 +/- 1.54   0.854% *  2.1344% (0.98   0.02   0.02) =   0.027%
          HG2   LYS+  65 - HN    GLU- 114  18.11 +/- 2.74   1.370% *  0.7428% (0.34   0.02   0.02) =   0.015%
          QG2   THR   26 - HN    GLU- 114  22.72 +/- 2.38   0.563% *  0.6054% (0.28   0.02   0.02) =   0.005%
          HG2   LYS+  33 - HN    GLU- 114  27.59 +/- 2.67   0.294% *  0.6054% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.24 A violated in 0 structures by 0.12 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 2.52, residual support = 3.94:
          HD3   LYS+ 112 - HN    GLU- 114   5.98 +/- 1.15  40.802% * 62.8618% (0.98   3.01   3.76) =  62.498%  kept
          QG1   VAL  107 - HN    GLU- 114   5.42 +/- 0.96  48.354% * 30.7026% (0.84   1.73   4.40) =  36.175%  kept
          HG13  ILE  119 - HN    GLU- 114   9.38 +/- 1.06   9.258% *  5.8191% (0.41   0.67   0.02) =   1.313%  kept
          QG1   VAL   24 - HN    GLU- 114  21.01 +/- 3.28   1.065% *  0.4257% (1.00   0.02   0.02) =   0.011%
          HB3   LEU   31 - HN    GLU- 114  23.96 +/- 1.78   0.521% *  0.1908% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.21 +/- 0.49  96.414% * 99.4046% (0.57  10.0   3.86  14.93) =  99.996%  kept
          HA    GLN   30 - HN    GLY  101  14.90 +/- 4.24   1.915% *  0.1065% (0.61   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    GLY  101  16.92 +/- 3.05   0.994% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HN    GLY  101  25.00 +/- 3.94   0.329% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  26.53 +/- 2.68   0.206% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  30.04 +/- 2.69   0.142% *  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   2.72 +/- 0.22  99.305% * 99.9154% (0.53  10.0   2.86  15.43) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  17.61 +/- 3.39   0.542% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  24.23 +/- 0.96   0.154% *  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 = 6.38, residual support = 75.5:
      O   HA    GLU- 100 - HN    GLU- 100   2.29 +/- 0.13  98.737% * 99.4046% (0.57  10.0   6.38  75.55) =  99.999%  kept
          HA    GLN   30 - HN    GLU- 100  13.90 +/- 3.69   0.635% *  0.1065% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    GLU- 100  17.75 +/- 2.80   0.298% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  23.59 +/- 4.02   0.180% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.53 +/- 2.73   0.093% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.17 +/- 2.93   0.056% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.26, residual support = 75.5:
          HG3   GLU- 100 - HN    GLU- 100   3.46 +/- 0.48  92.416% * 97.4132% (0.69   4.26  75.55) =  99.955%  kept
          QB    GLN   32 - HN    GLU- 100  12.27 +/- 3.20   3.917% *  0.6530% (0.98   0.02   0.02) =   0.028%
          HB2   PRO   68 - HN    GLU- 100  15.56 +/- 2.54   1.279% *  0.6530% (0.98   0.02   0.02) =   0.009%
          HB    VAL   24 - HN    GLU- 100  20.20 +/- 2.64   0.613% *  0.6302% (0.95   0.02   0.02) =   0.004%
          HG2   PRO   58 - HN    GLU- 100  23.34 +/- 4.07   0.556% *  0.1852% (0.28   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HN    GLU- 100  21.05 +/- 4.88   0.690% *  0.1483% (0.22   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    GLU- 100  26.13 +/- 6.44   0.343% *  0.1318% (0.20   0.02   0.02) =   0.001%
          HG3   PRO   52 - HN    GLU- 100  28.82 +/- 3.12   0.186% *  0.1852% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.58, residual support = 39.2:
          HB2   LYS+  99 - HN    GLU- 100   4.10 +/- 0.42  94.335% * 99.1211% (0.73   5.58  39.18) =  99.979%  kept
          HB    VAL   43 - HN    GLU- 100  12.65 +/- 1.23   3.867% *  0.4084% (0.84   0.02   0.02) =   0.017%
          QD    LYS+  81 - HN    GLU- 100  22.89 +/- 2.84   0.721% *  0.3737% (0.76   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    GLU- 100  19.04 +/- 1.47   1.076% *  0.0968% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 6.35, residual support = 39.2:
          HG2   LYS+  99 - HN    GLU- 100   3.07 +/- 0.67  82.084% * 98.3859% (0.90   6.35  39.18) =  99.942%  kept
          HG2   LYS+  38 - HN    GLU- 100   8.45 +/- 2.52   9.782% *  0.3333% (0.97   0.02   0.02) =   0.040%
          HB2   LEU   31 - HN    GLU- 100  11.43 +/- 3.62   3.416% *  0.1956% (0.57   0.02   0.02) =   0.008%
          QB    ALA   88 - HN    GLU- 100  17.45 +/- 1.30   0.718% *  0.3267% (0.95   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    GLU- 100  17.51 +/- 1.76   0.636% *  0.2095% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    GLU- 100  18.85 +/- 3.04   0.932% *  0.1420% (0.41   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    GLU- 100  16.77 +/- 1.89   1.172% *  0.1066% (0.31   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    GLU- 100  16.07 +/- 1.65   1.034% *  0.0769% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    GLU- 100  25.74 +/- 2.85   0.226% *  0.2234% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.82, residual support = 174.4:
      O   HB2   LYS+  99 - HN    LYS+  99   3.03 +/- 0.34  91.964% * 99.7262% (0.99  10.0   4.82 174.38) =  99.996%  kept
          HB    VAL   43 - HN    LYS+  99  10.58 +/- 1.20   2.600% *  0.0952% (0.95   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    LYS+  99  21.24 +/- 2.72   0.367% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.69 +/- 2.71   0.323% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  12.79 +/- 3.26   1.657% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  14.59 +/- 2.28   1.858% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.55 +/- 4.17   0.641% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.98 +/- 2.08   0.590% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.565, support = 3.99, residual support = 18.5:
          QB    LEU   98 - HN    LYS+  99   3.20 +/- 0.41  59.834% * 93.7879% (0.57   4.00  18.56) =  99.859%  kept
          QB    ALA   61 - HN    LYS+  99  15.93 +/- 4.39   6.031% *  0.5028% (0.61   0.02   0.02) =   0.054%
          HD3   LYS+ 121 - HN    LYS+  99  15.96 +/- 6.36   1.227% *  0.7191% (0.87   0.02   0.02) =   0.016%
          HG    LEU   80 - HN    LYS+  99  17.11 +/- 3.26   1.126% *  0.6638% (0.80   0.02   0.02) =   0.013%
          HB2   LEU   80 - HN    LYS+  99  17.17 +/- 3.05   0.885% *  0.8001% (0.97   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    LYS+  99  16.99 +/- 3.81   0.620% *  0.7435% (0.90   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HN    LYS+  99  18.03 +/- 2.40   0.639% *  0.6925% (0.84   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    LYS+  99  14.52 +/- 2.10   0.878% *  0.3717% (0.45   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    LYS+  99  18.30 +/- 1.47   0.366% *  0.6925% (0.84   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    GLN   30   8.93 +/- 2.14   5.146% *  0.0488% (0.06   0.02   5.59) =   0.004%
          HG    LEU   73 - HN    LYS+  99  15.09 +/- 2.68   1.120% *  0.1279% (0.15   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    LYS+  99  17.18 +/- 2.11   0.503% *  0.2305% (0.28   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    GLN   30  11.80 +/- 5.03   2.103% *  0.0436% (0.05   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    GLN   30   7.89 +/- 3.58  10.304% *  0.0084% (0.01   0.02   3.60) =   0.002%
          HB2   LEU   80 - HN    GLN   30  12.84 +/- 5.02   1.547% *  0.0526% (0.06   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    GLN   30  11.81 +/- 2.10   1.755% *  0.0455% (0.05   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  99  22.54 +/- 3.95   0.254% *  0.2559% (0.31   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLN   30  12.15 +/- 3.27   1.618% *  0.0308% (0.04   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    GLN   30  14.92 +/- 1.89   0.797% *  0.0330% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  14.83 +/- 4.14   1.457% *  0.0168% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  15.38 +/- 2.04   0.815% *  0.0244% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.83 +/- 4.10   0.271% *  0.0472% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  23.17 +/- 1.85   0.189% *  0.0455% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  17.94 +/- 1.92   0.515% *  0.0151% (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 = 0.748, support = 3.63, residual support = 18.1:
          QD2   LEU  104 - HN    LYS+  99   3.16 +/- 1.37  47.106% * 50.5402% (0.80   3.42  17.61) =  53.435%  kept
          QD1   LEU   98 - HN    LYS+  99   3.34 +/- 1.09  42.368% * 48.9603% (0.69   3.86  18.56) =  46.558%  kept
          QD1   ILE   19 - HN    LYS+  99  14.86 +/- 2.53   0.528% *  0.2387% (0.65   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    GLN   30   7.56 +/- 1.46   4.724% *  0.0157% (0.04   0.02   5.59) =   0.002%
          QG2   THR   46 - HN    LYS+  99  15.40 +/- 1.69   0.536% *  0.1139% (0.31   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+  99  15.68 +/- 2.28   0.400% *  0.0822% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   98 - HN    GLN   30  11.81 +/- 3.17   1.548% *  0.0167% (0.05   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    GLN   30  14.52 +/- 2.75   0.919% *  0.0194% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  11.25 +/- 1.76   1.286% *  0.0054% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  14.59 +/- 1.81   0.586% *  0.0075% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.842, support = 4.21, residual support = 17.1:
          QD1   LEU  104 - HN    LYS+  99   4.31 +/- 1.04  38.940% * 92.6014% (0.87   4.27  17.61) =  96.809%  kept
          QD1   LEU   73 - HN    GLN   30   5.69 +/- 2.54  29.742% *  3.4400% (0.06   2.42   3.60) =   2.747%  kept
          QD2   LEU   80 - HN    GLN   30   8.84 +/- 4.43   7.353% *  1.6412% (0.07   1.01   0.02) =   0.324%  kept
          QD2   LEU   80 - HN    LYS+  99  14.18 +/- 2.61   2.073% *  0.4953% (0.99   0.02   0.02) =   0.028%
          QD1   LEU   73 - HN    LYS+  99  12.46 +/- 2.22   1.927% *  0.4334% (0.87   0.02   0.02) =   0.022%
          QG1   VAL   83 - HN    LYS+  99  12.03 +/- 2.73   3.923% *  0.2054% (0.41   0.02   0.02) =   0.022%
          QD1   LEU   63 - HN    LYS+  99  12.47 +/- 1.61   1.781% *  0.4334% (0.87   0.02   0.02) =   0.021%
          QD2   LEU  115 - HN    LYS+  99  14.89 +/- 1.42   1.003% *  0.4986% (1.00   0.02   0.02) =   0.013%
          QD2   LEU   63 - HN    LYS+  99  11.94 +/- 2.01   2.350% *  0.1389% (0.28   0.02   0.02) =   0.009%
          QD1   LEU  104 - HN    GLN   30  15.11 +/- 2.44   2.488% *  0.0285% (0.06   0.02   0.02) =   0.002%
          QG1   VAL   83 - HN    GLN   30  10.47 +/- 4.16   5.177% *  0.0135% (0.03   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    GLN   30  14.61 +/- 2.60   1.376% *  0.0285% (0.06   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    GLN   30  18.65 +/- 1.88   0.541% *  0.0328% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  13.81 +/- 2.14   1.325% *  0.0091% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 3.96, residual support = 10.7:
          HB3   PHE   97 - HN    LEU   98   3.62 +/- 0.40  81.943% * 97.5046% (0.65   3.96  10.68) =  99.881%  kept
          QG    GLU-  79 - HN    LEU   98  15.70 +/- 3.87   6.128% *  0.6351% (0.84   0.02   0.02) =   0.049%
          HB2   GLU- 100 - HN    LEU   98   9.26 +/- 0.61   5.475% *  0.6820% (0.90   0.02   0.02) =   0.047%
          QG    GLN   32 - HN    LEU   98  14.22 +/- 2.25   1.746% *  0.4001% (0.53   0.02   0.02) =   0.009%
          HB2   PRO   58 - HN    LEU   98  18.00 +/- 4.66   3.879% *  0.1693% (0.22   0.02   0.02) =   0.008%
          HB2   GLN  116 - HN    LEU   98  17.43 +/- 1.23   0.829% *  0.6089% (0.80   0.02   0.02) =   0.006%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.702, support = 3.86, residual support = 26.9:
          HG12  ILE  103 - HN    LEU   98   5.04 +/- 1.39  32.847% * 36.4247% (0.80   3.35  31.19) =  45.762%  kept
          HB    VAL   41 - HN    LEU   98   5.56 +/- 1.89  27.602% * 42.9145% (0.65   4.88  24.06) =  45.308%  kept
          HB    ILE  103 - HN    LEU   98   6.69 +/- 1.37  14.442% *  8.6507% (0.53   1.21  31.19) =   4.778%  kept
          HB3   ASP- 105 - HN    LEU   98   6.65 +/- 0.72  10.375% *  9.4411% (0.45   1.55   6.92) =   3.746%  kept
          QB    LYS+ 106 - HN    LEU   98   7.67 +/- 1.10   7.172% *  1.3397% (0.20   0.50   0.02) =   0.368%  kept
          HG3   PRO   68 - HN    LEU   98  13.53 +/- 1.85   1.485% *  0.1538% (0.57   0.02   0.02) =   0.009%
          QB    LYS+  66 - HN    LEU   98  13.26 +/- 1.77   1.574% *  0.1218% (0.45   0.02   0.02) =   0.007%
          HG    LEU  123 - HN    LEU   98  18.04 +/- 4.09   0.652% *  0.2662% (0.98   0.02   0.02) =   0.007%
          QB    LYS+  33 - HN    LEU   98  13.85 +/- 1.82   1.205% *  0.0927% (0.34   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    LEU   98  21.90 +/- 2.71   0.359% *  0.2662% (0.98   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    LEU   98  22.08 +/- 3.61   0.462% *  0.1322% (0.49   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    LEU   98  17.63 +/- 2.42   0.807% *  0.0605% (0.22   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   98  17.20 +/- 0.86   0.583% *  0.0605% (0.22   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   98  18.95 +/- 0.79   0.436% *  0.0755% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.832, support = 4.86, residual support = 76.9:
      O   QB    LEU   98 - HN    LEU   98   2.68 +/- 0.28  59.060% * 97.3142% (0.84  10.0   4.88  77.33) =  99.470%  kept
          HB    VAL   42 - HN    LEU   98   5.22 +/- 1.18  14.986% *  1.9593% (0.18   1.0   1.92   0.42) =   0.508%  kept
          QB    ALA   61 - HN    LEU   98  12.59 +/- 4.31  18.672% *  0.0397% (0.34   1.0   0.02   0.02) =   0.013%
          HB2   LEU   80 - HN    LEU   98  14.55 +/- 3.15   0.949% *  0.1142% (0.98   1.0   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    LEU   98  13.94 +/- 5.42   0.920% *  0.1162% (1.00   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LEU   98  14.56 +/- 3.35   1.655% *  0.0613% (0.53   1.0   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    LEU   98  14.53 +/- 2.35   0.851% *  0.1155% (0.99   1.0   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   98  14.59 +/- 3.49   0.527% *  0.0754% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   98  11.36 +/- 2.09   1.112% *  0.0259% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.75 +/- 1.31   0.335% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  14.22 +/- 2.21   0.505% *  0.0259% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  21.13 +/- 3.69   0.162% *  0.0660% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  16.72 +/- 2.24   0.265% *  0.0204% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.942, support = 4.22, residual support = 12.9:
          QD2   LEU   40 - HN    LEU   98   3.43 +/- 0.81  45.692% * 69.2756% (0.97   4.66   9.40) =  83.646%  kept
          QG2   ILE  103 - HN    LEU   98   5.13 +/- 0.88  21.286% * 27.2325% (0.87   2.04  31.19) =  15.318%  kept
          QD1   ILE  103 - HN    LEU   98   5.67 +/- 0.87  13.231% *  2.6565% (0.20   0.87  31.19) =   0.929%  kept
          QD1   LEU   67 - HN    LEU   98   9.18 +/- 2.17   6.291% *  0.2911% (0.95   0.02   0.02) =   0.048%
          HB    VAL   75 - HN    LEU   98  10.88 +/- 1.72   5.714% *  0.2235% (0.73   0.02   0.02) =   0.034%
          QD2   LEU   71 - HN    LEU   98   9.53 +/- 2.16   5.877% *  0.0856% (0.28   0.02   0.02) =   0.013%
          HG3   LYS+  74 - HN    LEU   98  15.39 +/- 2.44   1.909% *  0.2352% (0.76   0.02   0.02) =   0.012%
    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 = 0.608, support = 3.23, residual support = 45.1:
          QD1   LEU   98 - HN    LEU   98   3.99 +/- 0.98  30.581% * 47.4300% (0.38   4.81  77.33) =  48.999%  kept
          QD2   LEU  104 - HN    LEU   98   4.42 +/- 1.58  31.028% * 39.3667% (0.99   1.51  12.12) =  41.263%  kept
          QG1   VAL   41 - HN    LEU   98   5.43 +/- 1.73  25.126% * 10.9473% (0.15   2.70  24.06) =   9.292%  kept
          QG1   VAL   43 - HN    LEU   98   5.97 +/- 1.17  10.082% *  1.1971% (0.28   0.16   0.02) =   0.408%  kept
          QD1   ILE   19 - HN    LEU   98  13.02 +/- 2.19   1.068% *  0.4848% (0.92   0.02   0.02) =   0.017%
          QG2   THR   46 - HN    LEU   98  12.04 +/- 1.59   1.193% *  0.3185% (0.61   0.02   0.02) =   0.013%
          QG2   VAL   18 - HN    LEU   98  12.92 +/- 2.28   0.922% *  0.2556% (0.49   0.02   0.02) =   0.008%
    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 = 43.7:
          QD2   LEU   98 - HN    LEU   98   3.70 +/- 0.74  39.568% * 25.5504% (0.15   4.64  77.33) =  41.909%  kept
          QG2   VAL   41 - HN    LEU   98   5.32 +/- 1.39  19.070% * 45.4005% (0.28   4.58  24.06) =  35.890%  kept
          QD1   LEU  104 - HN    LEU   98   5.13 +/- 1.07  19.988% * 26.2840% (0.31   2.39  12.12) =  21.778%  kept
          QD2   LEU   63 - HN    LEU   98   8.86 +/- 2.21   5.439% *  0.5959% (0.84   0.02   0.02) =   0.134%  kept
          QD1   LEU   63 - HN    LEU   98   9.36 +/- 1.67   4.341% *  0.6399% (0.90   0.02   0.02) =   0.115%  kept
          QD1   LEU   73 - HN    LEU   98  10.22 +/- 1.81   3.063% *  0.6399% (0.90   0.02   0.02) =   0.081%
          QD2   LEU   80 - HN    LEU   98  12.16 +/- 2.51   2.918% *  0.3754% (0.53   0.02   0.02) =   0.045%
          QD2   LEU  115 - HN    LEU   98  11.68 +/- 1.34   1.754% *  0.4039% (0.57   0.02   0.02) =   0.029%
          QD1   LEU   80 - HN    LEU   98  12.74 +/- 2.85   3.860% *  0.1101% (0.15   0.02   0.02) =   0.018%
    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 = 0.942, support = 4.78, residual support = 61.8:
      O   HB2   PHE   97 - HN    PHE   97   2.57 +/- 0.47  74.242% * 95.8650% (0.95  10.0   4.81  62.25) =  99.152%  kept
          QE    LYS+ 106 - HN    PHE   97   5.46 +/- 0.97  15.512% *  3.8889% (0.53   1.0   1.46  11.80) =   0.840%  kept
          QE    LYS+  99 - HN    PHE   97   9.24 +/- 1.52   6.221% *  0.0615% (0.61   1.0   0.02   0.02) =   0.005%
          HB3   TRP   27 - HN    PHE   97  14.95 +/- 1.77   0.500% *  0.0978% (0.97   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    PHE   97   9.65 +/- 1.46   2.046% *  0.0177% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    PHE   97  13.08 +/- 2.37   1.032% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.57 +/- 1.72   0.447% *  0.0346% (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 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.59, residual support = 44.2:
          HG2   MET   96 - HN    PHE   97   3.49 +/- 0.76  99.128% * 99.8227% (0.98   5.59  44.15) =  99.998%  kept
          HB2   PRO   52 - HN    PHE   97  19.88 +/- 3.33   0.872% *  0.1773% (0.49   0.02   0.02) =   0.002%
    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 = 0.34, support = 5.12, residual support = 61.6:
      O   HB3   PHE   97 - HN    PHE   97   3.45 +/- 0.28  81.099% * 92.0150% (0.34  10.0   5.16  62.25) =  98.794%  kept
          HB    VAL  107 - HN    PHE   97   6.80 +/- 0.70  12.476% *  7.1956% (0.28   1.0   1.92   5.26) =   1.189%  kept
          QG    GLU-  79 - HN    PHE   97  16.07 +/- 3.19   2.692% *  0.2692% (1.00   1.0   0.02   0.02) =   0.010%
          HB2   GLU- 100 - HN    PHE   97  12.69 +/- 0.92   1.843% *  0.1636% (0.61   1.0   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    PHE   97  16.92 +/- 2.13   0.805% *  0.2253% (0.84   1.0   0.02   0.02) =   0.002%
          HB2   GLN  116 - HN    PHE   97  15.05 +/- 1.21   1.085% *  0.1313% (0.49   1.0   0.02   0.02) =   0.002%
    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 = 0.671, support = 4.64, residual support = 52.2:
          HB2   ASP- 105 - HN    PHE   97   4.82 +/- 0.96  36.212% * 63.3120% (0.98   3.44  59.15) =  54.032%  kept
          HB2   MET   96 - HN    PHE   97   3.93 +/- 0.35  55.305% * 35.2356% (0.31   6.07  44.15) =  45.927%  kept
          HG12  ILE  119 - HN    PHE   97  12.40 +/- 3.11   3.364% *  0.1546% (0.41   0.02   1.27) =   0.012%
          HG2   GLU- 100 - HN    PHE   97  12.85 +/- 1.08   1.722% *  0.2874% (0.76   0.02   0.02) =   0.012%
          HB3   ASP-  76 - HN    PHE   97  16.68 +/- 1.67   0.883% *  0.3141% (0.84   0.02   0.02) =   0.007%
          HG3   MET   92 - HN    PHE   97  16.99 +/- 0.68   0.715% *  0.3372% (0.90   0.02   0.02) =   0.006%
          HB2   GLU-  29 - HN    PHE   97  20.00 +/- 2.01   0.457% *  0.3011% (0.80   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    PHE   97  13.96 +/- 1.09   1.341% *  0.0580% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.156, support = 6.05, residual support = 44.0:
          HB3   MET   96 - HN    PHE   97   4.34 +/- 0.23  83.586% * 91.3841% (0.15   6.07  44.15) =  99.685%  kept
          HB3   PRO   58 - HN    PHE   97  16.91 +/- 4.42   6.941% *  1.9121% (0.98   0.02   0.02) =   0.173%  kept
          HB3   GLN   30 - HN    PHE   97  15.23 +/- 1.97   2.261% *  1.4165% (0.73   0.02   0.02) =   0.042%
          HB2   MET   92 - HN    PHE   97  15.81 +/- 0.94   1.813% *  1.6922% (0.87   0.02   0.02) =   0.040%
          HB    ILE   56 - HN    PHE   97  15.69 +/- 2.50   2.736% *  0.7321% (0.38   0.02   0.02) =   0.026%
          HB3   LYS+  38 - HN    PHE   97  16.35 +/- 1.43   1.714% *  1.0263% (0.53   0.02   0.02) =   0.023%
          HB3   GLU-  14 - HN    PHE   97  23.87 +/- 3.22   0.604% *  0.7321% (0.38   0.02   0.02) =   0.006%
          HG3   MET   11 - HN    PHE   97  29.65 +/- 4.96   0.345% *  1.1044% (0.57   0.02   0.02) =   0.005%
    Distance limit 4.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 2.09, residual support = 2.39:
          QG2   ILE  103 - HN    PHE   97   3.69 +/- 0.71  63.101% * 59.1256% (0.61   2.27   2.52) =  85.053%  kept
          QD2   LEU   40 - HN    PHE   97   6.38 +/- 0.99  17.907% * 34.9542% (0.76   1.07   1.69) =  14.269%  kept
          QD1   ILE  119 - HN    PHE   97  11.20 +/- 2.63   5.068% *  4.0700% (0.25   0.38   1.27) =   0.470%  kept
          QD1   LEU   67 - HN    PHE   97  10.56 +/- 2.36   9.499% *  0.6223% (0.73   0.02   0.02) =   0.135%  kept
          HB    VAL   75 - HN    PHE   97  10.99 +/- 1.43   3.501% *  0.8107% (0.95   0.02   0.02) =   0.065%
          HG3   LYS+  74 - HN    PHE   97  15.93 +/- 1.89   0.925% *  0.4172% (0.49   0.02   0.02) =   0.009%
    Distance limit 4.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.237, support = 3.96, residual support = 11.9:
          HB3   PHE   95 - HN    MET   96   3.65 +/- 0.20  87.446% * 79.4217% (0.24   3.98  11.94) =  99.419%  kept
          HG3   GLN  116 - HN    MET   96  13.95 +/- 0.79   1.672% * 12.9015% (0.46   0.33   0.02) =   0.309%  kept
          HG2   GLN  116 - HN    MET   96  13.35 +/- 1.13   2.036% *  5.2046% (0.19   0.33   0.02) =   0.152%  kept
          HB3   TRP   87 - HN    MET   96   8.53 +/- 1.42   8.253% *  0.9051% (0.54   0.02   0.02) =   0.107%  kept
          HG2   GLU-  25 - HN    MET   96  20.33 +/- 2.29   0.594% *  1.5671% (0.93   0.02   0.02) =   0.013%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.943, support = 4.03, residual support = 115.3:
      O   HB2   MET   96 - HN    MET   96   2.85 +/- 0.36  87.588% * 98.3103% (0.94  10.0   4.03 115.38) =  99.897%  kept
          HB2   ASP- 105 - HN    MET   96   7.67 +/- 0.91   6.347% *  1.3444% (0.42   1.0   0.61   0.02) =   0.099%
          HB    VAL   70 - HN    MET   96  10.21 +/- 1.33   2.539% *  0.0715% (0.69   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HN    MET   96  13.29 +/- 1.62   1.045% *  0.0677% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    MET   96  15.78 +/- 0.98   0.623% *  0.0753% (0.72   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    MET   96  16.38 +/- 3.04   0.597% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.37 +/- 0.57   0.976% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  20.21 +/- 2.14   0.285% *  0.0518% (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 = 3.96, residual support = 115.4:
      O   HB3   MET   96 - HN    MET   96   2.79 +/- 0.30  94.917% * 99.5022% (0.57  10.0   3.97 115.38) =  99.995%  kept
          HB2   LEU   40 - HN    MET   96  11.59 +/- 0.73   1.464% *  0.1552% (0.89   1.0   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HN    MET   96  16.98 +/- 3.07   0.721% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    MET   96  13.94 +/- 3.94   1.043% *  0.0863% (0.50   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    MET   96  12.30 +/- 2.23   1.420% *  0.0456% (0.26   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    MET   96  22.58 +/- 3.52   0.243% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  28.18 +/- 5.42   0.192% *  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 = 0.212, support = 1.42, residual support = 14.3:
          HB    VAL   43 - HN    MET   96   4.39 +/- 1.22  55.964% * 60.5050% (0.19   1.50  15.25) =  94.049%  kept
          HG2   PRO   93 - HN    MET   96  10.78 +/- 0.72   4.391% * 22.6644% (0.46   0.23   0.02) =   2.764%  kept
          QB    LYS+  65 - HN    MET   96  12.42 +/- 3.04  14.246% *  3.4050% (0.79   0.02   0.02) =   1.347%  kept
          HB2   LEU   71 - HN    MET   96  11.78 +/- 3.49  12.593% *  3.5361% (0.82   0.02   0.02) =   1.237%  kept
          QB    LYS+ 102 - HN    MET   96  12.04 +/- 1.02   2.940% *  2.9601% (0.69   0.02   0.02) =   0.242%  kept
          QB    LYS+  66 - HN    MET   96  12.40 +/- 1.98   4.276% *  1.0165% (0.24   0.02   0.02) =   0.121%  kept
          HB3   GLN   17 - HN    MET   96  18.49 +/- 3.09   0.942% *  3.7631% (0.87   0.02   0.02) =   0.098%
          HB2   LYS+  99 - HN    MET   96  11.91 +/- 0.64   3.110% *  1.1334% (0.26   0.02   0.02) =   0.098%
          QD    LYS+  81 - HN    MET   96  15.78 +/- 1.79   1.538% *  1.0165% (0.24   0.02   0.02) =   0.043%
    Distance limit 4.08 A violated in 0 structures by 0.32 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.84, support = 1.72, residual support = 3.23:
          QG2   THR   94 - HN    MET   96   4.08 +/- 0.38  67.749% * 69.5555% (0.85   1.80   3.35) =  94.181%  kept
          HB3   LEU   71 - HN    MET   96  12.39 +/- 3.30  10.582% * 18.7561% (0.89   0.46   0.02) =   3.967%  kept
          HG12  ILE   89 - HN    MET   96   8.14 +/- 1.03  10.703% *  7.2087% (0.21   0.75   5.08) =   1.542%  kept
          HB3   LYS+ 112 - HN    MET   96  12.55 +/- 1.53   2.915% *  3.3933% (0.82   0.09   0.02) =   0.198%  kept
          HD2   LYS+ 112 - HN    MET   96  11.00 +/- 2.25   6.068% *  0.8463% (0.93   0.02   0.02) =   0.103%  kept
          HG3   LYS+ 111 - HN    MET   96  14.24 +/- 1.77   1.983% *  0.2401% (0.26   0.02   0.02) =   0.010%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.771, support = 2.76, residual support = 14.0:
          QG1   VAL   43 - HN    MET   96   4.28 +/- 1.17  52.454% * 79.1966% (0.76   2.96  15.25) =  91.864%  kept
          QG2   THR   46 - HN    MET   96   7.54 +/- 1.50  18.928% * 18.6861% (0.94   0.56   0.13) =   7.821%  kept
          QD2   LEU  104 - HN    MET   96   8.81 +/- 1.88  16.446% *  0.4857% (0.69   0.02   0.02) =   0.177%  kept
          QG1   VAL   41 - HN    MET   96   9.16 +/- 1.06   6.016% *  0.4057% (0.57   0.02   0.02) =   0.054%
          QG2   VAL   18 - HN    MET   96  12.02 +/- 2.73   3.710% *  0.6456% (0.91   0.02   0.02) =   0.053%
          QD1   ILE   19 - HN    MET   96  13.86 +/- 1.89   2.446% *  0.5802% (0.82   0.02   0.02) =   0.031%
    Distance limit 4.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.729, support = 0.743, residual support = 0.331:
          QD1   LEU   63 - HN    MET   96   7.59 +/- 2.59  15.177% * 33.5956% (0.85   0.64   0.38) =  35.667%  kept
          QD2   LEU   63 - HN    MET   96   7.64 +/- 2.90  16.364% * 28.2081% (0.79   0.58   0.38) =  32.289%  kept
          QD2   LEU  115 - HN    MET   96   7.91 +/- 1.02  12.203% * 35.4966% (0.54   1.08   0.23) =  30.299%  kept
          QD1   LEU   73 - HN    MET   96   9.53 +/- 2.06  10.343% *  1.0444% (0.85   0.02   0.02) =   0.756%  kept
          QD2   LEU   80 - HN    MET   96  10.50 +/- 1.74   6.571% *  0.6127% (0.50   0.02   0.02) =   0.282%  kept
          QD1   LEU  104 - HN    MET   96   9.23 +/- 1.56   9.300% *  0.3594% (0.29   0.02   0.02) =   0.234%  kept
          QG2   VAL   41 - HN    MET   96   8.12 +/- 1.23   9.612% *  0.3238% (0.26   0.02   0.02) =   0.218%  kept
          QD2   LEU   98 - HN    MET   96   7.18 +/- 1.33  15.468% *  0.1797% (0.15   0.02   0.18) =   0.194%  kept
          QD1   LEU   80 - HN    MET   96  10.79 +/- 1.92   4.961% *  0.1797% (0.15   0.02   0.02) =   0.062%
    Distance limit 4.68 A violated in 0 structures by 0.42 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 1.43, residual support = 4.43:
          QD1   ILE   89 - HN    MET   96   5.36 +/- 0.70  61.486% * 70.4143% (0.72   1.50   5.08) =  85.683%  kept
          QG2   VAL   83 - HN    MET   96   8.31 +/- 1.94  24.511% * 29.4194% (0.46   0.98   0.54) =  14.271%  kept
          QD2   LEU   31 - HN    MET   96  10.18 +/- 1.73  14.003% *  0.1663% (0.13   0.02   0.02) =   0.046%
    Distance limit 4.55 A violated in 1 structures by 0.65 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.65 +/- 0.21 100.000% *100.0000% (0.87  10.0   3.86  73.45) = 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 = 73.4:
      O   HB3   PHE   95 - HN    PHE   95   3.65 +/- 0.08  96.279% * 99.8580% (0.98  10.0   4.19  73.45) =  99.997%  kept
          HG2   GLN  116 - HN    PHE   95  11.96 +/- 1.31   3.250% *  0.0964% (0.95   1.0   0.02   0.78) =   0.003%
          HG2   GLU-  25 - HN    PHE   95  22.86 +/- 2.50   0.471% *  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 = 0.976, support = 3.45, residual support = 41.1:
          HB    VAL  107 - HN    PHE   95   4.00 +/- 0.84  61.384% * 85.4413% (0.99   3.61  43.16) =  94.895%  kept
          HB3   PHE   45 - HN    PHE   95   6.45 +/- 1.18  24.338% *  9.2407% (0.69   0.56   2.00) =   4.069%  kept
          QE    LYS+ 112 - HN    PHE   95   7.84 +/- 1.51  12.040% *  4.7162% (0.69   0.29   4.84) =   1.027%  kept
          QG    GLU-  79 - HN    PHE   95  15.19 +/- 1.71   1.327% *  0.1793% (0.38   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    PHE   95  20.81 +/- 1.56   0.517% *  0.3281% (0.69   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HN    PHE   95  22.77 +/- 1.92   0.394% *  0.0945% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.797, support = 4.44, residual support = 17.9:
          QG2   THR   94 - HN    PHE   95   2.33 +/- 0.35  63.210% * 80.4770% (0.87   4.44  14.94) =  89.538%  kept
          QG2   VAL  107 - HN    PHE   95   3.67 +/- 1.06  32.033% * 18.5190% (0.20   4.48  43.16) =  10.442%  kept
          HD2   LYS+ 112 - HN    PHE   95   8.72 +/- 1.94   1.980% *  0.2035% (0.49   0.02   4.84) =   0.007%
          HB3   LYS+ 112 - HN    PHE   95   9.95 +/- 1.12   0.926% *  0.3750% (0.90   0.02   4.84) =   0.006%
          HG13  ILE  103 - HN    PHE   95   9.94 +/- 1.51   1.193% *  0.2536% (0.61   0.02   0.02) =   0.005%
          HB3   LEU   71 - HN    PHE   95  16.00 +/- 3.84   0.657% *  0.1719% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.2:
      O   HB    THR   94 - HN    THR   94   2.79 +/- 0.22  89.457% * 98.9931% (0.65  10.0   3.08  25.19) =  99.989%  kept
          HA    LYS+  65 - HN    THR   94  14.97 +/- 3.85   1.946% *  0.1413% (0.92   1.0   0.02   0.02) =   0.003%
          QB    SER   48 - HN    THR   94  10.93 +/- 1.13   1.764% *  0.1169% (0.76   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    THR   94  13.04 +/- 0.91   0.922% *  0.1477% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    THR   94  12.04 +/- 1.87   1.561% *  0.0522% (0.34   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    THR   94  17.69 +/- 1.72   0.421% *  0.1448% (0.95   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    THR   94  14.16 +/- 1.15   0.769% *  0.0745% (0.49   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    THR   94  12.49 +/- 1.02   1.140% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  11.90 +/- 1.12   1.263% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.07 +/- 1.66   0.371% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  22.84 +/- 3.65   0.189% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.71 +/- 2.13   0.198% *  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 = 2.96, residual support = 27.2:
          HB2   PHE   45 - HN    THR   94   2.84 +/- 0.76  95.358% * 98.8926% (0.95   2.96  27.16) =  99.970%  kept
          QE    LYS+ 111 - HN    THR   94  11.03 +/- 2.45   3.182% *  0.7071% (1.00   0.02   0.02) =   0.024%
          HB2   CYS   21 - HN    THR   94  15.95 +/- 2.81   1.460% *  0.4003% (0.57   0.02   0.02) =   0.006%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.556, support = 1.73, residual support = 25.7:
          HB3   PHE   45 - HN    THR   94   3.10 +/- 0.84  70.962% * 63.4119% (0.57   1.80  27.16) =  94.345%  kept
          QE    LYS+ 112 - HN    THR   94   7.05 +/- 1.94  13.272% * 10.1304% (0.57   0.29   0.02) =   2.819%  kept
          HB    VAL  107 - HN    THR   94   7.71 +/- 0.92   6.767% * 13.6158% (0.20   1.11   0.02) =   1.932%  kept
          HG3   MET   96 - HN    THR   94   9.44 +/- 0.66   4.111% *  9.3509% (0.28   0.54   3.35) =   0.806%  kept
          HB3   ASP-  62 - HN    THR   94  12.92 +/- 3.41   3.041% *  0.8550% (0.69   0.02   0.02) =   0.055%
          HB3   ASP-  86 - HN    THR   94  13.36 +/- 1.35   1.295% *  1.2337% (0.99   0.02   0.02) =   0.033%
          HG2   GLU-  29 - HN    THR   94  22.17 +/- 2.47   0.363% *  1.2337% (0.99   0.02   0.02) =   0.009%
          HG2   GLU-  36 - HN    THR   94  26.99 +/- 1.79   0.189% *  0.1685% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.37, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.80 +/- 0.15  79.613% * 99.5171% (0.98  10.0   4.37  15.60) =  99.986%  kept
          HB    VAL  108 - HN    THR   94   9.90 +/- 1.72   7.452% *  0.0697% (0.69   1.0   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HN    THR   94  13.39 +/- 1.75   2.208% *  0.0776% (0.76   1.0   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    THR   94  12.88 +/- 3.12   3.951% *  0.0417% (0.41   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   94  14.20 +/- 1.99   2.059% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    THR   94  14.53 +/- 2.44   1.814% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    THR   94  17.66 +/- 2.30   0.948% *  0.0455% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    THR   94  29.84 +/- 6.16   0.367% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  25.17 +/- 3.74   0.362% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  21.80 +/- 1.06   0.439% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.69 +/- 2.03   0.787% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.89, support = 2.81, residual support = 15.4:
      O   HB3   PRO   93 - HN    THR   94   3.79 +/- 0.43  50.661% * 94.6712% (0.90  10.0   2.83  15.60) =  98.526%  kept
          HB3   ASP-  44 - HN    THR   94   6.22 +/- 1.23  15.984% *  4.2696% (0.49   1.0   1.66   0.02) =   1.402%  kept
          HB2   LYS+ 112 - HN    THR   94   9.45 +/- 1.87   5.490% *  0.3094% (0.76   1.0   0.08   0.02) =   0.035%
          QB    ALA   84 - HN    THR   94   8.62 +/- 1.28   5.463% *  0.0916% (0.87   1.0   0.02   0.02) =   0.010%
          HB3   LEU   73 - HN    THR   94  12.67 +/- 3.12   5.568% *  0.0683% (0.65   1.0   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - HN    THR   94  11.09 +/- 1.34   2.523% *  0.0916% (0.87   1.0   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    THR   94  15.25 +/- 4.42   3.364% *  0.0598% (0.57   1.0   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    THR   94  11.15 +/- 3.01   3.402% *  0.0396% (0.38   1.0   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    THR   94  11.45 +/- 1.26   2.143% *  0.0598% (0.57   1.0   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    THR   94  14.59 +/- 1.78   1.110% *  0.0807% (0.76   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   94  11.39 +/- 1.82   2.300% *  0.0294% (0.28   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    THR   94  19.42 +/- 1.19   0.425% *  0.0725% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    THR   94  20.08 +/- 1.88   0.425% *  0.0683% (0.65   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    THR   94  21.47 +/- 1.62   0.297% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.01 +/- 2.39   0.530% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  23.99 +/- 3.82   0.314% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.377, support = 3.36, residual support = 23.4:
          QG2   THR   94 - HN    THR   94   3.77 +/- 0.29  59.794% * 65.4563% (0.34   3.62  25.19) =  91.008%  kept
          HG12  ILE   89 - HN    THR   94   7.13 +/- 1.14  11.890% * 30.3921% (0.76   0.75   5.50) =   8.403%  kept
          HD2   LYS+ 112 - HN    THR   94   7.84 +/- 2.26  15.498% *  0.7701% (0.73   0.02   0.02) =   0.278%  kept
          HB3   LYS+ 112 - HN    THR   94   9.54 +/- 1.94   5.551% *  1.4829% (0.31   0.09   0.02) =   0.191%  kept
          HG3   LYS+ 111 - HN    THR   94  11.29 +/- 2.22   3.398% *  0.8858% (0.84   0.02   0.02) =   0.070%
          HB3   LEU   71 - HN    THR   94  16.55 +/- 3.47   2.235% *  0.8492% (0.80   0.02   0.02) =   0.044%
          HG    LEU   71 - HN    THR   94  17.11 +/- 3.47   1.634% *  0.1636% (0.15   0.02   0.02) =   0.006%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.896, support = 0.749, residual support = 5.49:
          QG2   ILE   89 - HN    THR   94   4.76 +/- 0.69  88.683% * 99.1801% (0.90   0.75   5.50) =  99.895%  kept
          QG1   VAL   83 - HN    THR   94  10.22 +/- 1.34  11.317% *  0.8199% (0.28   0.02   0.02) =   0.105%  kept
    Distance limit 4.64 A violated in 0 structures by 0.33 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.291, support = 3.06, residual support = 48.1:
          HG3   MET   92 - HN    MET   92   3.97 +/- 0.48  72.963% * 45.6669% (0.14   3.74  61.21) =  78.604%  kept
          QG    GLN   90 - HN    MET   92   6.74 +/- 0.82  20.042% * 44.7448% (0.87   0.57   0.12) =  21.156%  kept
          HB2   ASP-  44 - HN    MET   92  12.72 +/- 1.47   3.191% *  1.7671% (0.98   0.02   0.02) =   0.133%  kept
          HG12  ILE  119 - HN    MET   92  17.52 +/- 2.46   1.837% *  0.9485% (0.53   0.02   0.02) =   0.041%
          HB3   PHE   72 - HN    MET   92  19.01 +/- 1.60   0.754% *  1.6642% (0.92   0.02   0.02) =   0.030%
          QG    GLU-  15 - HN    MET   92  25.94 +/- 2.94   0.303% *  1.8028% (1.00   0.02   0.02) =   0.013%
          QG    GLU-  14 - HN    MET   92  26.45 +/- 3.98   0.293% *  1.7398% (0.97   0.02   0.02) =   0.012%
          QB    MET   11 - HN    MET   92  30.42 +/- 6.08   0.284% *  1.3091% (0.73   0.02   0.02) =   0.009%
          HB2   GLU-  29 - HN    MET   92  25.44 +/- 2.90   0.332% *  0.3568% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 3.65, residual support = 61.1:
      O   HB2   MET   92 - HN    MET   92   2.71 +/- 0.69  84.930% * 98.1699% (1.00  10.0   3.65  61.21) =  99.874%  kept
          HB3   GLN   90 - HN    MET   92   6.87 +/- 0.55   7.327% *  1.3923% (0.18   1.0   1.62   0.12) =   0.122%  kept
          HB    ILE   56 - HN    MET   92  15.34 +/- 4.10   2.361% *  0.0636% (0.65   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    MET   92  11.69 +/- 2.36   3.054% *  0.0219% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   92  19.73 +/- 3.09   0.497% *  0.0950% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    MET   92  21.89 +/- 2.52   0.307% *  0.0931% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  13.32 +/- 1.08   1.023% *  0.0245% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.85 +/- 1.31   0.101% *  0.0788% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  34.63 +/- 6.84   0.091% *  0.0304% (0.31   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.82 +/- 1.61   0.192% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  30.19 +/- 4.11   0.117% *  0.0172% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.561, support = 3.99, residual support = 60.4:
      O   HB3   MET   92 - HN    MET   92   3.57 +/- 0.40  65.097% * 94.2167% (0.57  10.0   4.01  61.21) =  98.612%  kept
          HG3   PRO   93 - HN    MET   92   5.68 +/- 0.81  17.094% *  4.9716% (0.20   1.0   3.02   1.93) =   1.366%  kept
          QG1   ILE   56 - HN    MET   92  13.09 +/- 2.96   2.759% *  0.1272% (0.76   1.0   0.02   0.02) =   0.006%
          HB    ILE   89 - HN    MET   92   8.41 +/- 1.06   8.455% *  0.0415% (0.25   1.0   0.02   0.02) =   0.006%
          HD2   LYS+ 111 - HN    MET   92  13.29 +/- 3.76   3.453% *  0.0746% (0.45   1.0   0.02   0.02) =   0.004%
          QD    LYS+ 106 - HN    MET   92  14.19 +/- 1.51   1.208% *  0.1492% (0.90   1.0   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    MET   92  17.10 +/- 2.77   1.059% *  0.1208% (0.73   1.0   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    MET   92  22.72 +/- 1.29   0.291% *  0.1536% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    MET   92  23.55 +/- 0.74   0.252% *  0.1077% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.30 +/- 3.21   0.333% *  0.0370% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.14, residual support = 9.26:
          QB    ALA   91 - HN    MET   92   3.01 +/- 0.31  94.107% * 96.2840% (1.00   3.14   9.26) =  99.974%  kept
          QG2   ILE   56 - HN    MET   92  12.55 +/- 3.42   3.038% *  0.4223% (0.69   0.02   0.02) =   0.014%
          HG2   LYS+  74 - HN    MET   92  14.89 +/- 2.66   0.975% *  0.3977% (0.65   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    MET   92  21.40 +/- 1.51   0.297% *  0.6134% (1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    MET   92  23.51 +/- 2.96   0.218% *  0.5333% (0.87   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    MET   92  23.28 +/- 3.46   0.289% *  0.3729% (0.61   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    MET   92  20.33 +/- 1.34   0.329% *  0.2992% (0.49   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HN    MET   92  25.51 +/- 1.08   0.174% *  0.4223% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  18.31 +/- 2.96   0.478% *  0.1217% (0.20   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    MET   92  30.84 +/- 1.61   0.095% *  0.5333% (0.87   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 = 2.49, residual support = 7.6:
          HA    ILE   89 - HN    ALA   91   3.82 +/- 0.43  79.104% * 96.1960% (0.61   2.49   7.61) =  99.951%  kept
          HB    THR  118 - HN    ALA   91  16.88 +/- 2.09   1.201% *  1.2069% (0.95   0.02   0.02) =   0.019%
          HB3   SER   82 - HN    ALA   91  14.05 +/- 1.74   3.740% *  0.2234% (0.18   0.02   0.02) =   0.011%
          QB    SER   13 - HN    TRP   27  15.51 +/- 4.25   4.635% *  0.0648% (0.05   0.02   0.02) =   0.004%
          HB    THR   39 - HN    ALA   91  24.75 +/- 1.77   0.334% *  0.5720% (0.45   0.02   0.02) =   0.003%
          HB3   SER   37 - HN    ALA   91  28.23 +/- 2.32   0.221% *  0.7738% (0.61   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    TRP   27  14.89 +/- 1.79   1.613% *  0.0956% (0.07   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    TRP   27  12.90 +/- 5.77   5.357% *  0.0276% (0.02   0.02   0.02) =   0.002%
          HB    THR   39 - HN    TRP   27  13.74 +/- 1.24   2.010% *  0.0707% (0.06   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   91  28.95 +/- 3.85   0.237% *  0.5245% (0.41   0.02   0.02) =   0.002%
          HA    ILE   89 - HN    TRP   27  18.27 +/- 3.63   0.992% *  0.0956% (0.07   0.02   0.02) =   0.001%
          HB    THR  118 - HN    TRP   27  22.41 +/- 3.03   0.555% *  0.1491% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.07 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.713, support = 4.91, residual support = 31.9:
          HB2   GLN   90 - HN    ALA   91   3.62 +/- 0.53  51.932% * 91.8298% (0.73   4.96  32.52) =  98.082%  kept
          HB2   GLU-  25 - HN    TRP   27   5.16 +/- 0.24  19.101% *  2.5327% (0.02   4.06   0.66) =   0.995%  kept
          HG3   GLU-  29 - HN    TRP   27   6.29 +/- 0.75  11.778% *  3.0484% (0.11   1.08   0.02) =   0.738%  kept
          HB3   GLU-  29 - HN    TRP   27   6.81 +/- 0.54   9.245% *  0.9181% (0.07   0.55   0.02) =   0.175%  kept
          HB3   GLU-  79 - HN    ALA   91  14.91 +/- 2.52   1.422% *  0.1009% (0.20   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ALA   91  24.94 +/- 2.99   0.192% *  0.4575% (0.90   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ALA   91  29.36 +/- 1.61   0.116% *  0.4825% (0.95   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ALA   91  25.34 +/- 2.89   0.181% *  0.2684% (0.53   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    TRP   27  10.93 +/- 5.02   3.614% *  0.0125% (0.02   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    ALA   91  23.01 +/- 3.71   0.261% *  0.1009% (0.20   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    TRP   27  18.36 +/- 1.27   0.432% *  0.0596% (0.12   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    ALA   91  26.44 +/- 1.28   0.152% *  0.1272% (0.25   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.19 +/- 0.66   1.217% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  20.70 +/- 3.83   0.359% *  0.0458% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.978, support = 4.91, residual support = 32.2:
          HB3   GLN   90 - HN    ALA   91   3.39 +/- 0.52  52.227% * 90.8602% (0.99   4.96  32.52) =  98.476%  kept
          HB2   MET   92 - HN    ALA   91   5.92 +/- 0.97  12.635% *  5.5761% (0.15   1.95   9.26) =   1.462%  kept
          QB    LYS+ 106 - HN    ALA   91  11.21 +/- 1.60   2.167% *  0.3498% (0.95   0.02   0.02) =   0.016%
          QB    LYS+  81 - HN    ALA   91  10.76 +/- 1.62   1.943% *  0.3569% (0.97   0.02   0.02) =   0.014%
          HB3   GLN   30 - HN    TRP   27   5.28 +/- 0.92  17.949% *  0.0114% (0.03   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ALA   91  16.75 +/- 1.96   0.549% *  0.3625% (0.98   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HN    ALA   91  18.74 +/- 3.54   0.543% *  0.3569% (0.97   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    ALA   91  16.75 +/- 1.69   0.525% *  0.3498% (0.95   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ALA   91  17.29 +/- 3.46   0.652% *  0.2094% (0.57   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    TRP   27   9.25 +/- 0.97   2.872% *  0.0457% (0.12   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    ALA   91  15.78 +/- 4.21   1.171% *  0.0922% (0.25   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    TRP   27  13.12 +/- 4.54   1.391% *  0.0441% (0.12   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ALA   91  23.83 +/- 1.43   0.165% *  0.3698% (1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ALA   91  24.65 +/- 2.28   0.155% *  0.3414% (0.92   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    TRP   27  19.68 +/- 4.27   0.928% *  0.0422% (0.11   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ALA   91  21.10 +/- 2.50   0.253% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.13 +/- 4.19   0.449% *  0.0441% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.71 +/- 3.38   0.406% *  0.0432% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  18.10 +/- 1.92   0.398% *  0.0432% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  28.41 +/- 1.60   0.105% *  0.1520% (0.41   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  24.76 +/- 3.09   0.168% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  20.70 +/- 4.01   0.285% *  0.0453% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.54 +/- 1.09   0.272% *  0.0448% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  18.50 +/- 1.41   0.436% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.08 +/- 3.19   0.300% *  0.0259% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  26.64 +/- 4.93   0.546% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  24.44 +/- 4.27   0.236% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  20.98 +/- 3.03   0.274% *  0.0071% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.07, residual support = 12.9:
      O   QB    ALA   91 - HN    ALA   91   2.23 +/- 0.19  78.258% * 99.2924% (0.92  10.0   3.07  12.87) =  99.997%  kept
          QG2   THR   23 - HN    TRP   27   4.65 +/- 0.85  12.352% *  0.0055% (0.05   1.0   0.02   1.28) =   0.001%
          QG2   ILE   56 - HN    ALA   91  14.29 +/- 3.09   0.607% *  0.0993% (0.92   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    TRP   27  11.08 +/- 2.90   3.758% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.17 +/- 0.75   1.381% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.23 +/- 1.37   0.139% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  20.78 +/- 1.71   0.110% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  16.03 +/- 1.78   0.257% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  18.47 +/- 2.95   0.185% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.21 +/- 1.23   1.002% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  11.87 +/- 1.46   0.626% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  23.85 +/- 2.69   0.073% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.08 +/- 3.55   0.122% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.30 +/- 1.82   0.039% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  23.52 +/- 1.41   0.072% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  18.08 +/- 2.52   0.200% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.67 +/- 2.78   0.187% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.84 +/- 1.71   0.166% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.75 +/- 1.59   0.329% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.78 +/- 1.84   0.136% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.35, residual support = 159.8:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  98.872% * 99.2019% (0.18  10.0   5.35 159.83) =  99.996%  kept
          HA    LEU   71 - HN    LYS+ 102  15.03 +/- 1.57   0.819% *  0.2329% (0.41   1.0   0.02   0.02) =   0.002%
          HA    ALA   20 - HN    LYS+ 102  21.21 +/- 2.66   0.309% *  0.5652% (1.00   1.0   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.40 +/- 0.16  92.666% * 99.3899% (0.61  10.0   3.13  12.50) =  99.995%  kept
          HA    ALA   34 - HN    LYS+ 102  12.52 +/- 3.28   2.761% *  0.0674% (0.41   1.0   0.02   0.02) =   0.002%
          HA    THR   26 - HN    LYS+ 102  20.34 +/- 4.35   0.574% *  0.1624% (0.99   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+ 102  15.10 +/- 4.45   1.773% *  0.0409% (0.25   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    LYS+ 102  22.17 +/- 1.61   0.367% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  19.24 +/- 1.90   0.574% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  25.58 +/- 2.40   0.253% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  21.01 +/- 3.01   0.457% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.47 +/- 4.32   0.575% *  0.0253% (0.15   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   2.78 +/- 0.55  99.001% * 99.6785% (0.28  10.0   3.13  12.50) =  99.998%  kept
          HB2   TRP   27 - HN    LYS+ 102  18.18 +/- 3.56   0.778% *  0.1607% (0.45   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    LYS+ 102  23.48 +/- 0.84   0.221% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  19.79 +/- 4.75  12.274% * 13.6482% (0.95   0.02   0.02) =  16.199%  kept
          QB    GLU- 114 - HN    LYS+ 102  19.08 +/- 1.66  13.296% * 12.0512% (0.84   0.02   0.02) =  15.495%  kept
          HB    ILE   19 - HN    LYS+ 102  19.34 +/- 4.03  12.810% * 11.0262% (0.76   0.02   0.02) =  13.659%  kept
          HG2   PRO   68 - HN    LYS+ 102  18.91 +/- 2.33  12.732% *  9.9106% (0.69   0.02   0.02) =  12.202%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.97 +/- 4.17   7.323% * 14.4279% (1.00   0.02   0.02) =  10.217%  kept
          HB3   PRO   68 - HN    LYS+ 102  19.78 +/- 2.36  11.537% *  8.7509% (0.61   0.02   0.02) =   9.763%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.80 +/- 3.23   6.775% * 13.6482% (0.95   0.02   0.02) =   8.941%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  24.53 +/- 2.16   6.016% * 12.9393% (0.90   0.02   0.02) =   7.528%  kept
          HG3   GLN   30 - HN    LYS+ 102  17.38 +/- 3.68  17.237% *  3.5976% (0.25   0.02   0.02) =   5.997%  kept
    Distance limit 4.56 A violated in 20 structures by 8.39 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.976, support = 4.82, residual support = 158.9:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.59 +/- 0.22  83.231% * 92.3074% (0.98  10.0   4.83 159.83) =  99.290%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.55 +/- 0.80   7.534% *  7.2191% (0.45   1.0   3.42  23.64) =   0.703%  kept
          HB    VAL   41 - HN    LYS+ 102   8.99 +/- 2.63   7.526% *  0.0571% (0.61   1.0   0.02   0.02) =   0.006%
          HB2   LEU   71 - HN    LYS+ 102  13.78 +/- 1.95   0.712% *  0.0845% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LYS+ 102  18.58 +/- 1.83   0.255% *  0.0754% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  19.81 +/- 2.05   0.216% *  0.0869% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  23.22 +/- 0.96   0.125% *  0.0923% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.68 +/- 3.25   0.148% *  0.0353% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  22.96 +/- 5.00   0.168% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  28.27 +/- 2.63   0.084% *  0.0210% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 4.08, residual support = 122.1:
          HG2   LYS+ 102 - HN    LYS+ 102   3.67 +/- 0.42  58.222% * 60.5636% (0.28   4.59 159.83) =  76.062%  kept
          QB    LEU   98 - HN    LYS+ 102   4.94 +/- 1.25  34.076% * 32.4090% (0.28   2.46   2.15) =  23.822%  kept
          QB    ALA   61 - HN    LYS+ 102  18.13 +/- 4.36   1.888% *  0.8508% (0.90   0.02   0.02) =   0.035%
          HG12  ILE   19 - HN    LYS+ 102  18.76 +/- 4.59   0.627% *  0.9466% (1.00   0.02   0.02) =   0.013%
          HG    LEU   80 - HN    LYS+ 102  18.53 +/- 3.32   0.602% *  0.9403% (0.99   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - HN    LYS+ 102  18.05 +/- 6.68   0.949% *  0.5371% (0.57   0.02   0.02) =   0.011%
          HB3   LEU   67 - HN    LYS+ 102  16.96 +/- 1.99   0.668% *  0.7250% (0.76   0.02   0.02) =   0.010%
          HB2   LEU   80 - HN    LYS+ 102  18.56 +/- 3.09   0.613% *  0.6889% (0.73   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    LYS+ 102  16.81 +/- 3.64   1.118% *  0.3560% (0.38   0.02   0.02) =   0.009%
          QB    ALA  110 - HN    LYS+ 102  20.06 +/- 1.63   0.363% *  0.9466% (1.00   0.02   0.02) =   0.007%
          QG    LYS+  66 - HN    LYS+ 102  19.42 +/- 1.95   0.442% *  0.5371% (0.57   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    LYS+ 102  20.18 +/- 2.48   0.432% *  0.4991% (0.53   0.02   0.02) =   0.005%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.521, support = 1.74, residual support = 1.31:
          QD1   LEU   98 - HN    LYS+ 102   4.11 +/- 1.23  38.546% * 50.6858% (0.18   2.83   2.15) =  54.669%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.21 +/- 0.99  37.967% * 42.1588% (0.95   0.44   0.29) =  44.788%  kept
          QG1   VAL   41 - HN    LYS+ 102   7.30 +/- 2.53  18.761% *  0.6980% (0.34   0.02   0.02) =   0.366%  kept
          QG1   VAL   43 - HN    LYS+ 102  10.16 +/- 1.97   3.052% *  1.0766% (0.53   0.02   0.02) =   0.092%
          QD1   ILE   19 - HN    LYS+ 102  16.23 +/- 3.20   0.607% *  2.0418% (1.00   0.02   0.02) =   0.035%
          QG2   THR   46 - HN    LYS+ 102  17.29 +/- 1.84   0.562% *  1.7751% (0.87   0.02   0.02) =   0.028%
          QG2   VAL   18 - HN    LYS+ 102  17.55 +/- 2.54   0.505% *  1.5639% (0.76   0.02   0.02) =   0.022%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.3, residual support = 39.3:
      O   HA    ILE   89 - HN    GLN   90   2.38 +/- 0.28  97.274% * 99.5753% (0.61  10.0   6.30  39.34) =  99.999%  kept
          HB3   SER   82 - HN    GLN   90  12.58 +/- 1.90   2.112% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLN   90  17.24 +/- 2.15   0.311% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  23.78 +/- 1.69   0.130% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  27.16 +/- 2.42   0.090% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.45 +/- 4.24   0.084% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 5.65, residual support = 88.7:
          QG    GLN   90 - HN    GLN   90   3.01 +/- 0.90  86.556% * 91.5116% (0.90   5.68  89.25) =  99.412%  kept
          HG3   MET   92 - HN    GLN   90   8.94 +/- 0.89   6.802% *  6.6568% (0.61   0.61   0.12) =   0.568%  kept
          HB2   ASP-  44 - HN    GLN   90  12.86 +/- 1.68   2.843% *  0.2609% (0.73   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    GLN   90  18.35 +/- 1.67   0.840% *  0.3002% (0.84   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    GLN   90  18.79 +/- 2.33   0.616% *  0.3562% (0.99   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    GLN   90  15.76 +/- 2.00   1.079% *  0.0896% (0.25   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLN   90  23.27 +/- 3.24   0.364% *  0.2609% (0.73   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    GLN   90  26.47 +/- 4.25   0.322% *  0.2746% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    GLN   90  25.62 +/- 3.32   0.314% *  0.2180% (0.61   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLN   90  30.57 +/- 6.32   0.265% *  0.0711% (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 = 5.58, residual support = 89.1:
      O   HB3   GLN   90 - HN    GLN   90   3.09 +/- 0.40  80.750% * 97.9373% (0.92  10.0   5.59  89.25) =  99.850%  kept
          HB2   MET   92 - HN    GLN   90   7.39 +/- 1.20   8.977% *  1.2161% (0.38   1.0   0.61   0.12) =   0.138%  kept
          QB    LYS+  81 - HN    GLN   90   9.85 +/- 1.45   3.381% *  0.1024% (0.97   1.0   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    GLN   90  10.71 +/- 1.73   2.943% *  0.1040% (0.98   1.0   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    GLN   90  18.08 +/- 3.55   0.681% *  0.0920% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    GLN   90  16.29 +/- 1.95   0.727% *  0.0811% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   90  15.57 +/- 1.76   0.768% *  0.0729% (0.69   1.0   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    GLN   90  19.75 +/- 3.56   0.537% *  0.0770% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    GLN   90  22.75 +/- 1.76   0.236% *  0.0920% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  20.02 +/- 2.96   0.380% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  24.44 +/- 2.06   0.182% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.34 +/- 1.63   0.144% *  0.0770% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  21.81 +/- 2.89   0.294% *  0.0236% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.16, residual support = 39.3:
          QG2   ILE   89 - HN    GLN   90   2.69 +/- 0.63 100.000% *100.0000% (0.65   7.16  39.34) = 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 = 5.74, residual support = 39.3:
          QD1   ILE   89 - HN    GLN   90   4.51 +/- 0.45  71.849% * 99.5351% (0.49   5.75  39.34) =  99.933%  kept
          QG2   VAL   83 - HN    GLN   90   7.84 +/- 0.97  16.000% *  0.1775% (0.25   0.02   0.02) =   0.040%
          QG2   VAL   75 - HN    GLN   90  10.22 +/- 1.81   8.887% *  0.1775% (0.25   0.02   0.02) =   0.022%
          QG2   VAL   42 - HN    GLN   90  13.32 +/- 1.16   3.264% *  0.1098% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.50 A violated in 0 structures by 0.17 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.11, residual support = 8.82:
      O   HA    ALA   88 - HN    ILE   89   3.26 +/- 0.23  76.484% * 99.4024% (0.99  10.0   4.11   8.82) =  99.987%  kept
          HB2   SER   82 - HN    ILE   89   9.95 +/- 1.23   5.839% *  0.0649% (0.65   1.0   0.02   0.02) =   0.005%
          QB    SER   85 - HN    ILE   89   5.95 +/- 0.44  13.135% *  0.0223% (0.22   1.0   0.02   0.02) =   0.004%
          HA    SER   48 - HN    ILE   89  15.56 +/- 2.72   1.229% *  0.0968% (0.97   1.0   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ILE   89  18.63 +/- 2.72   0.571% *  0.0870% (0.87   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    ILE   89  20.35 +/- 3.31   0.393% *  0.0983% (0.98   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    ILE   89  20.30 +/- 3.60   0.389% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  21.32 +/- 4.06   0.337% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  21.22 +/- 4.01   0.487% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  23.43 +/- 2.19   0.232% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  19.62 +/- 1.57   0.396% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  19.91 +/- 1.46   0.367% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  27.75 +/- 3.66   0.142% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.0, residual support = 216.0:
      O   HA    ILE   89 - HN    ILE   89   2.70 +/- 0.12  98.639% * 99.5011% (0.34  10.0   6.00 215.96) =  99.998%  kept
          HB    THR  118 - HN    ILE   89  17.79 +/- 2.49   0.409% *  0.2118% (0.73   1.0   0.02   0.02) =   0.001%
          HA    PHE   60 - HN    ILE   89  17.32 +/- 2.44   0.484% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  24.78 +/- 2.29   0.141% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  21.58 +/- 1.70   0.210% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  27.44 +/- 4.00   0.118% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 215.9:
      O   HB    ILE   89 - HN    ILE   89   2.41 +/- 0.41  94.947% * 99.6919% (0.45  10.0   5.57 215.96) =  99.994%  kept
          HB    VAL   43 - HN    ILE   89   9.10 +/- 1.31   2.429% *  0.1170% (0.53   1.0   0.02   0.02) =   0.003%
          QD    LYS+  81 - HN    ILE   89   9.63 +/- 1.24   2.382% *  0.0997% (0.45   1.0   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HN    ILE   89  18.64 +/- 1.57   0.242% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 5.74, residual support = 215.7:
          HG12  ILE   89 - HN    ILE   89   2.72 +/- 0.52  90.948% * 96.7096% (0.76   5.74 215.96) =  99.895%  kept
          QB    ALA   91 - HN    ILE   89   7.09 +/- 0.56   6.115% *  1.3613% (0.31   0.20   7.61) =   0.095%
          HG2   LYS+  74 - HN    ILE   89  15.62 +/- 1.78   0.727% *  0.3823% (0.87   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - HN    ILE   89  17.12 +/- 2.33   0.749% *  0.3027% (0.69   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    ILE   89  20.95 +/- 2.98   0.339% *  0.3952% (0.90   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ILE   89  20.00 +/- 1.93   0.349% *  0.3681% (0.84   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   89  22.10 +/- 3.19   0.234% *  0.2851% (0.65   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   89  18.28 +/- 1.80   0.404% *  0.1360% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ILE   89  25.55 +/- 1.84   0.135% *  0.0596% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 6.48, residual support = 215.5:
          QG2   ILE   89 - HN    ILE   89   3.60 +/- 0.14  81.654% * 98.8941% (1.00   6.50 215.96) =  99.797%  kept
          QG1   VAL   83 - HN    ILE   89   6.79 +/- 0.86  15.375% *  1.0589% (0.53   0.13   0.02) =   0.201%  kept
          QD1   LEU  104 - HN    ILE   89  14.86 +/- 2.75   2.971% *  0.0470% (0.15   0.02   0.02) =   0.002%
    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 = 5.52, residual support = 216.0:
          HG13  ILE   89 - HN    ILE   89   3.29 +/- 0.89 100.000% *100.0000% (0.90   5.52 215.96) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.9:
      O   HA    ALA   88 - HN    ALA   88   2.25 +/- 0.08  94.105% * 99.0917% (0.84  10.0   1.63  11.95) =  99.992%  kept
          HB2   SER   82 - HN    ALA   88   8.85 +/- 1.13   4.353% *  0.1303% (0.90   1.0   0.02   0.02) =   0.006%
          HA    SER   48 - HN    ALA   88  17.34 +/- 3.20   0.532% *  0.1425% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ALA   88  20.80 +/- 3.11   0.255% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.98 +/- 4.07   0.162% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  19.97 +/- 3.70   0.161% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  22.62 +/- 4.18   0.109% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  23.29 +/- 2.53   0.091% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.13 +/- 1.46   0.119% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  21.83 +/- 1.62   0.113% *  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 = 0.725, support = 2.05, residual support = 11.9:
      O   QB    ALA   88 - HN    ALA   88   2.91 +/- 0.09  72.490% * 98.4002% (0.73  10.0   2.05  11.95) =  99.817%  kept
          QB    ALA   84 - HN    ALA   88   4.86 +/- 0.45  16.490% *  0.7479% (0.15   1.0   0.72   0.02) =   0.173%  kept
          HB3   LEU   80 - HN    ALA   88   9.72 +/- 1.20   2.734% *  0.0931% (0.69   1.0   0.02   0.02) =   0.004%
          QG2   THR   77 - HN    ALA   88   9.06 +/- 1.81   5.323% *  0.0462% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HN    ALA   88  16.58 +/- 3.90   0.528% *  0.1132% (0.84   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ALA   88  14.21 +/- 1.45   0.729% *  0.0608% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   88  19.62 +/- 2.51   0.283% *  0.1215% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  20.55 +/- 1.89   0.234% *  0.1355% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  14.53 +/- 2.34   0.710% *  0.0302% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.33 +/- 2.48   0.251% *  0.0767% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.27 +/- 2.04   0.120% *  0.1328% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  26.39 +/- 2.60   0.108% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.14, residual support = 70.6:
      O   HB2   TRP   87 - HN    TRP   87   3.71 +/- 0.03  95.430% * 99.8429% (0.73  10.0   4.14  70.65) =  99.997%  kept
          HB    THR   46 - HN    TRP   87  13.78 +/- 2.23   3.168% *  0.0469% (0.34   1.0   0.02   0.02) =   0.002%
          HB2   PHE   60 - HN    TRP   87  18.28 +/- 2.55   0.962% *  0.0889% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    TRP   87  23.64 +/- 3.32   0.440% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.97, residual support = 22.7:
          HB2   ASP-  86 - HN    TRP   87   2.62 +/- 0.23  96.470% * 97.4995% (0.80   3.97  22.68) =  99.987%  kept
          HB2   ASN   28 - HN    TRP   87  15.83 +/- 4.75   0.710% *  0.6138% (1.00   0.02   0.02) =   0.005%
          HB2   ASP-  78 - HN    TRP   87  13.76 +/- 1.26   0.786% *  0.3229% (0.53   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    TRP   87  21.35 +/- 4.05   0.282% *  0.5923% (0.97   0.02   0.02) =   0.002%
          QE    LYS+  33 - HN    TRP   87  20.10 +/- 2.93   0.268% *  0.6016% (0.98   0.02   0.02) =   0.002%
          HB2   ASP-  76 - HN    TRP   87  13.01 +/- 1.65   1.224% *  0.0947% (0.15   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    TRP   87  20.91 +/- 3.63   0.259% *  0.2752% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.01, residual support = 70.6:
      O   HB3   TRP   87 - HN    TRP   87   3.00 +/- 0.19  99.086% * 99.8532% (1.00  10.0   4.01  70.65) =  99.999%  kept
          HG2   GLU-  25 - HN    TRP   87  17.95 +/- 4.64   0.649% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  22.64 +/- 1.72   0.265% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.527, support = 2.21, residual support = 4.97:
          QB    ALA   88 - HN    TRP   87   4.40 +/- 0.13  78.456% * 96.6438% (0.53   2.21   4.99) =  99.658%  kept
          QG2   THR   77 - HN    TRP   87   8.63 +/- 1.73  15.128% *  1.4882% (0.90   0.02   0.02) =   0.296%  kept
          QG2   THR   23 - HN    TRP   87  15.98 +/- 3.99   2.454% *  0.8730% (0.53   0.02   0.02) =   0.028%
          QB    ALA   34 - HN    TRP   87  15.00 +/- 2.18   2.316% *  0.3694% (0.22   0.02   0.02) =   0.011%
          HG2   LYS+  99 - HN    TRP   87  19.14 +/- 2.19   1.087% *  0.2560% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    TRP   87  23.64 +/- 2.47   0.559% *  0.3694% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.834, support = 1.9, residual support = 18.0:
          QD1   ILE   89 - HN    TRP   87   4.54 +/- 0.37  43.020% * 69.4175% (0.76   2.46  18.94) =  65.179%  kept
          QG2   VAL   83 - HN    TRP   87   4.19 +/- 0.53  53.201% * 29.9431% (0.97   0.84  16.24) =  34.768%  kept
          QD2   LEU   31 - HN    TRP   87  11.64 +/- 3.21   3.779% *  0.6394% (0.87   0.02   1.81) =   0.053%
    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 = 0.563, support = 1.24, residual support = 17.4:
          QG2   VAL   83 - HE1   TRP   87   2.38 +/- 1.18  78.139% * 28.4457% (0.45   1.01  16.24) =  58.694%  kept
          QD1   ILE   89 - HE1   TRP   87   4.73 +/- 0.65  21.861% * 71.5543% (0.73   1.57  18.94) =  41.306%  kept
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.76, support = 3.23, residual support = 13.0:
          QB    SER   85 - HN    ASP-  86   2.98 +/- 0.27  69.445% * 82.6674% (0.76   3.33  13.44) =  96.377%  kept
          HA    ALA   88 - HN    ASP-  86   5.03 +/- 0.17  15.342% * 12.7518% (0.69   0.57   0.02) =   3.284%  kept
          HB2   SER   82 - HN    ASP-  86   5.75 +/- 0.53  11.475% *  1.6820% (0.15   0.34   0.02) =   0.324%  kept
          HA    GLN   32 - HN    ASP-  86  18.36 +/- 4.38   0.431% *  0.4721% (0.73   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ASP-  86  10.67 +/- 0.94   1.640% *  0.1003% (0.15   0.02   0.02) =   0.003%
          HA    SER   48 - HN    ASP-  86  17.62 +/- 2.83   0.444% *  0.2915% (0.45   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    ASP-  86  21.78 +/- 3.13   0.213% *  0.5830% (0.90   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    ASP-  86  22.34 +/- 3.37   0.226% *  0.5430% (0.84   0.02   0.02) =   0.002%
          QB    SER   48 - HN    ASP-  86  16.18 +/- 3.05   0.588% *  0.1447% (0.22   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    ASP-  86  28.03 +/- 4.01   0.103% *  0.4968% (0.76   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    ASP-  86  27.44 +/- 1.85   0.093% *  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 = 10.8:
          HA    VAL   83 - HN    ASP-  86   2.87 +/- 0.13  98.119% * 95.3192% (0.61   2.25  10.77) =  99.980%  kept
          HB2   CYS   53 - HN    ASP-  86  20.82 +/- 3.24   0.588% *  1.3481% (0.97   0.02   0.02) =   0.008%
          HA    GLN   30 - HN    ASP-  86  18.97 +/- 4.14   0.419% *  0.8473% (0.61   0.02   0.02) =   0.004%
          HA    GLU- 100 - HN    ASP-  86  19.43 +/- 2.77   0.363% *  0.7909% (0.57   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    ASP-  86  22.78 +/- 3.21   0.337% *  0.7350% (0.53   0.02   0.02) =   0.003%
          HD2   PRO   58 - HN    ASP-  86  24.67 +/- 2.19   0.174% *  0.9596% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.03, residual support = 42.5:
      O   HB2   ASP-  86 - HN    ASP-  86   2.39 +/- 0.22  98.054% * 99.6258% (0.98  10.0   5.03  42.54) =  99.999%  kept
          HB2   ASN   28 - HN    ASP-  86  15.03 +/- 5.19   0.694% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HN    ASP-  86  22.20 +/- 3.76   0.194% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  12.97 +/- 1.11   0.659% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  20.11 +/- 3.10   0.204% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  21.11 +/- 3.95   0.195% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.55, residual support = 42.5:
      O   HB3   ASP-  86 - HN    ASP-  86   3.18 +/- 0.51  95.225% * 99.2823% (0.41  10.0   3.55  42.54) =  99.990%  kept
          HG3   MET   96 - HN    ASP-  86  11.21 +/- 2.25   3.414% *  0.2394% (0.99   1.0   0.02   0.02) =   0.009%
          HB3   ASP-  62 - HN    ASP-  86  23.28 +/- 2.74   0.338% *  0.2017% (0.84   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    ASP-  86  18.56 +/- 4.77   0.783% *  0.0671% (0.28   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    ASP-  86  24.89 +/- 2.98   0.240% *  0.2095% (0.87   1.0   0.02   0.02) =   0.001%
    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   2.17 +/- 0.08  84.738% * 99.3113% (0.76  10.0   3.15  18.03) =  99.989%  kept
          HA    ALA   88 - HN    SER   85   4.90 +/- 0.34   7.738% *  0.0893% (0.69   1.0   0.02   0.02) =   0.008%
          HB2   SER   82 - HN    SER   85   5.46 +/- 0.23   5.479% *  0.0201% (0.15   1.0   0.02   2.90) =   0.001%
          HA    SER   48 - HN    SER   85  16.54 +/- 2.92   0.311% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  10.65 +/- 1.11   0.780% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  20.93 +/- 3.09   0.122% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  15.07 +/- 3.20   0.492% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  19.63 +/- 4.26   0.150% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  22.50 +/- 3.47   0.106% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  28.58 +/- 4.09   0.042% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  28.06 +/- 1.90   0.041% *  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   3.60 +/- 0.02  94.546% * 99.3529% (0.49  10.0   3.27  20.67) =  99.994%  kept
          HA    VAL   75 - HN    SER   85  12.14 +/- 1.92   2.984% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    SER   85  20.76 +/- 2.90   0.690% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    SER   85  24.24 +/- 2.13   0.333% *  0.1560% (0.76   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    SER   85  19.21 +/- 3.18   0.784% *  0.0630% (0.31   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    SER   85  23.89 +/- 2.32   0.351% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  24.84 +/- 2.29   0.312% *  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   2.72 +/- 0.07  88.870% * 96.0227% (1.00   3.98  20.67) =  99.965%  kept
          HB3   LEU   80 - HN    SER   85   7.09 +/- 0.83   5.804% *  0.2543% (0.53   0.02   0.02) =   0.017%
          HG    LEU   98 - HN    SER   85  16.15 +/- 2.94   0.568% *  0.4664% (0.97   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    SER   85  15.52 +/- 0.97   0.511% *  0.4833% (1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    SER   85  14.68 +/- 1.27   0.617% *  0.3693% (0.76   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    SER   85  15.43 +/- 2.51   0.641% *  0.2931% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    SER   85  16.17 +/- 4.32   0.570% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    SER   85  16.32 +/- 2.50   0.510% *  0.1814% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    SER   85  18.94 +/- 3.33   0.385% *  0.1987% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    SER   85  20.98 +/- 2.12   0.216% *  0.3126% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    SER   85  17.09 +/- 1.72   0.396% *  0.1492% (0.31   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   85  21.21 +/- 1.96   0.207% *  0.2352% (0.49   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    SER   85  27.70 +/- 2.47   0.091% *  0.4334% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  21.69 +/- 2.74   0.218% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  23.64 +/- 3.73   0.192% *  0.1492% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  21.71 +/- 3.26   0.203% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 18.0:
      O   HA    ALA   84 - HN    ALA   84   2.73 +/- 0.02  95.792% * 99.3529% (0.49  10.0   3.89  17.96) =  99.995%  kept
          HA    VAL   75 - HN    ALA   84   9.63 +/- 2.02   2.938% *  0.1074% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   TRP   49 - HN    ALA   84  19.25 +/- 2.83   0.382% *  0.1402% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ILE  119 - HN    ALA   84  22.69 +/- 2.19   0.183% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  22.72 +/- 2.43   0.185% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  19.02 +/- 2.88   0.344% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  23.03 +/- 2.35   0.177% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.33, residual support = 41.4:
          HB    VAL   83 - HN    ALA   84   3.37 +/- 0.30  91.134% * 97.8485% (0.99   5.33  41.40) =  99.983%  kept
          QD    LYS+ 102 - HN    ALA   84  17.16 +/- 3.33   1.041% *  0.2691% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA   84  19.79 +/- 3.28   0.674% *  0.3576% (0.97   0.02   0.02) =   0.003%
          HD2   LYS+  74 - HN    ALA   84  14.53 +/- 2.13   1.548% *  0.1523% (0.41   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    ALA   84  14.91 +/- 1.02   1.134% *  0.1950% (0.53   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    ALA   84  22.34 +/- 3.46   0.487% *  0.3673% (0.99   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    ALA   84  13.04 +/- 1.53   1.841% *  0.0649% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   84  23.68 +/- 2.97   0.339% *  0.3505% (0.95   0.02   0.02) =   0.001%
          QB    ALA   57 - HN    ALA   84  18.42 +/- 2.60   0.741% *  0.0649% (0.18   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ALA   84  21.85 +/- 2.88   0.443% *  0.0924% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  27.77 +/- 2.46   0.191% *  0.1804% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.27 +/- 2.89   0.427% *  0.0572% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.11 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 18.0:
      O   QB    ALA   84 - HN    ALA   84   2.02 +/- 0.06  86.585% * 98.7031% (0.87  10.0   4.19  17.96) =  99.952%  kept
          HB3   LEU   80 - HN    ALA   84   4.57 +/- 0.90  10.420% *  0.3747% (0.28   1.0   0.24   0.02) =   0.046%
          HG3   LYS+ 106 - HN    ALA   84  15.05 +/- 2.75   0.314% *  0.0987% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  15.25 +/- 3.24   0.328% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.14 +/- 0.98   0.263% *  0.1020% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.65 +/- 1.51   0.448% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   84  14.02 +/- 2.47   0.329% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  15.30 +/- 2.12   0.264% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  18.80 +/- 3.39   0.187% *  0.0782% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  19.95 +/- 1.95   0.099% *  0.0870% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  21.29 +/- 3.53   0.101% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  14.92 +/- 4.32   0.306% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  19.98 +/- 3.35   0.108% *  0.0554% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  18.90 +/- 2.20   0.121% *  0.0427% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  26.44 +/- 2.52   0.042% *  0.0736% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  24.58 +/- 5.20   0.085% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.693, support = 5.73, residual support = 40.3:
          QG1   VAL   83 - HN    ALA   84   4.00 +/- 0.57  62.262% * 93.3630% (0.69   5.87  41.40) =  97.458%  kept
          QD2   LEU   80 - HN    ALA   84   5.64 +/- 0.82  28.630% *  5.1863% (0.95   0.24   0.02) =   2.489%  kept
          QD1   LEU   73 - HN    ALA   84  11.08 +/- 1.82   3.959% *  0.2808% (0.61   0.02   0.02) =   0.019%
          QD1   LEU  104 - HN    ALA   84  16.45 +/- 3.48   2.373% *  0.4619% (1.00   0.02   0.02) =   0.018%
          QD2   LEU  115 - HN    ALA   84  15.78 +/- 1.42   1.232% *  0.4273% (0.92   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    ALA   84  15.87 +/- 2.64   1.544% *  0.2808% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.06 A violated in 0 structures by 0.05 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.758, support = 6.2, residual support = 40.7:
          QG2   VAL   83 - HN    ALA   84   2.81 +/- 0.71  75.161% * 88.7540% (0.76   6.32  41.40) =  97.709%  kept
          QD1   ILE   89 - HN    ALA   84   5.96 +/- 0.71  14.357% * 10.7972% (0.49   1.21  12.64) =   2.271%  kept
          QD2   LEU   31 - HN    ALA   84  11.20 +/- 3.31   2.001% *  0.3669% (1.00   0.02   0.02) =   0.011%
          QG2   VAL   43 - HN    ALA   84   7.03 +/- 1.38   8.481% *  0.0819% (0.22   0.02   0.02) =   0.010%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.754, support = 4.09, residual support = 19.4:
          HB2   SER   82 - HN    VAL   83   3.09 +/- 0.43  80.162% * 97.0063% (0.75   4.09  19.38) =  99.926%  kept
          HA    ALA   88 - HN    VAL   83   8.51 +/- 1.46  14.953% *  0.2684% (0.43   0.02   0.02) =   0.052%
          HA    GLU-  29 - HN    VAL   83  15.83 +/- 4.87   0.895% *  0.4647% (0.74   0.02   0.02) =   0.005%
          HA    SER   48 - HN    VAL   83  15.92 +/- 3.41   1.026% *  0.3796% (0.60   0.02   0.02) =   0.005%
          HA    VAL   70 - HN    VAL   83  19.45 +/- 2.63   0.756% *  0.2875% (0.46   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    VAL   83  19.19 +/- 4.80   0.456% *  0.4698% (0.75   0.02   0.02) =   0.003%
          HA    GLN   32 - HN    VAL   83  17.15 +/- 4.49   0.740% *  0.2494% (0.40   0.02   0.02) =   0.002%
          HA    LYS+  33 - HN    VAL   83  19.79 +/- 3.58   0.421% *  0.4251% (0.68   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    VAL   83  23.21 +/- 1.89   0.255% *  0.2875% (0.46   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    VAL   83  20.97 +/- 3.48   0.336% *  0.1617% (0.26   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 = 4.7, residual support = 86.0:
      O   HA    VAL   83 - HN    VAL   83   2.80 +/- 0.03  98.029% * 99.4506% (0.46  10.0   4.70  85.99) =  99.998%  kept
          HB2   CYS   53 - HN    VAL   83  19.84 +/- 3.50   0.443% *  0.1582% (0.73   1.0   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    VAL   83  16.60 +/- 4.34   0.629% *  0.0995% (0.46   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    VAL   83  19.51 +/- 3.40   0.458% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  22.00 +/- 3.53   0.270% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.84 +/- 2.13   0.172% *  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 = 4.77, residual support = 86.0:
      O   HB    VAL   83 - HN    VAL   83   2.36 +/- 0.59  96.048% * 99.4176% (0.75  10.0   4.77  85.99) =  99.998%  kept
          QD    LYS+ 102 - HN    VAL   83  16.85 +/- 3.62   0.726% *  0.0728% (0.55   1.0   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    VAL   83  21.44 +/- 3.67   0.435% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  19.88 +/- 2.82   0.283% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    VAL   83  14.52 +/- 2.02   0.556% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.74 +/- 1.38   0.410% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  24.44 +/- 3.11   0.208% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  14.99 +/- 1.58   0.536% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  19.25 +/- 2.71   0.305% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  23.73 +/- 2.63   0.198% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  28.49 +/- 2.55   0.100% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.16 +/- 2.70   0.192% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 0.0657:
          HB2   LEU   80 - HN    VAL   83   4.14 +/- 0.81  69.573% *  2.8578% (0.19   0.02   0.12) =  44.676%  kept
          QB    LEU   98 - HN    VAL   83  12.75 +/- 2.46   9.856% *  7.8727% (0.52   0.02   0.02) =  17.435%  kept
          HG3   LYS+ 102 - HN    VAL   83  18.44 +/- 3.88   4.269% *  9.5730% (0.63   0.02   0.02) =   9.184%  kept
          HB3   LEU   73 - HN    VAL   83  13.56 +/- 2.38   2.702% *  9.9416% (0.65   0.02   0.02) =   6.036%  kept
          HB    VAL   42 - HN    VAL   83  15.25 +/- 1.98   2.346% * 10.5799% (0.70   0.02   0.02) =   5.576%  kept
          HG3   LYS+ 106 - HN    VAL   83  15.88 +/- 2.72   3.128% *  7.4142% (0.49   0.02   0.02) =   5.210%  kept
          HG3   LYS+  33 - HN    VAL   83  18.68 +/- 3.65   1.019% * 11.0607% (0.73   0.02   0.02) =   2.532%  kept
          HB3   LYS+  74 - HN    VAL   83  13.88 +/- 1.57   2.328% *  4.7118% (0.31   0.02   0.02) =   2.465%  kept
          QB    ALA   12 - HN    VAL   83  23.61 +/- 5.21   0.975% * 10.5799% (0.70   0.02   0.02) =   2.317%  kept
          HG3   LYS+  65 - HN    VAL   83  21.42 +/- 3.05   0.795% * 10.5799% (0.70   0.02   0.02) =   1.890%  kept
          HB2   LYS+ 112 - HN    VAL   83  21.51 +/- 2.26   0.725% *  8.7588% (0.58   0.02   0.02) =   1.427%  kept
          HB3   PRO   93 - HN    VAL   83  15.84 +/- 1.34   1.679% *  1.7684% (0.12   0.02   0.02) =   0.667%  kept
          HD3   LYS+ 121 - HN    VAL   83  25.05 +/- 3.79   0.604% *  4.3014% (0.28   0.02   0.02) =   0.584%  kept
    Distance limit 3.89 A violated in 0 structures by 0.47 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.724, support = 5.13, residual support = 81.2:
          QG1   VAL   83 - HN    VAL   83   2.82 +/- 0.50  64.589% * 86.7810% (0.75   5.34  85.99) =  94.434%  kept
          QD2   LEU   80 - HN    VAL   83   4.46 +/- 0.99  29.074% * 11.0253% (0.31   1.63   0.12) =   5.401%  kept
          QG2   ILE   89 - HN    VAL   83   6.96 +/- 0.61   5.156% *  1.8582% (0.46   0.19   0.02) =   0.161%  kept
          QD1   LEU  104 - HN    VAL   83  16.44 +/- 3.63   0.836% *  0.2123% (0.49   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    VAL   83  16.86 +/- 1.55   0.345% *  0.1232% (0.28   0.02   0.02) =   0.001%
    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 = 5.23, residual support = 85.5:
          QG2   VAL   83 - HN    VAL   83   3.06 +/- 0.55  86.846% * 94.2084% (0.74   5.26  85.99) =  99.384%  kept
          QD1   ILE   89 - HN    VAL   83   7.36 +/- 0.73   8.944% *  5.5698% (0.73   0.32   0.02) =   0.605%  kept
          QD2   LEU   31 - HN    VAL   83  10.28 +/- 3.49   4.209% *  0.2218% (0.46   0.02   0.02) =   0.011%
    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 = 4.01, residual support = 33.3:
      O   HB2   SER   82 - HN    SER   82   2.90 +/- 0.52  90.351% * 99.3063% (0.87  10.0   4.01  33.29) =  99.995%  kept
          HA    ALA   88 - HN    SER   82   9.57 +/- 1.34   5.389% *  0.0318% (0.28   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    SER   82  16.77 +/- 5.01   0.767% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    SER   82  16.12 +/- 3.47   0.993% *  0.0557% (0.49   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    SER   82  21.05 +/- 3.94   0.359% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  20.40 +/- 4.94   0.372% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  21.27 +/- 2.78   0.332% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  18.48 +/- 4.88   0.685% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  24.74 +/- 1.80   0.179% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  23.04 +/- 3.01   0.259% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  21.47 +/- 3.56   0.314% *  0.0155% (0.14   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 = 3.4, residual support = 33.3:
      O   HB3   SER   82 - HN    SER   82   2.56 +/- 0.58  95.321% * 99.2682% (0.69  10.0   3.40  33.29) =  99.994%  kept
          HA    ILE   89 - HN    SER   82  11.02 +/- 1.03   3.053% *  0.1445% (1.00   1.0   0.02   0.02) =   0.005%
          HB    THR   39 - HN    SER   82  21.10 +/- 3.06   0.299% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  23.40 +/- 3.55   0.240% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  24.85 +/- 4.74   0.174% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  23.30 +/- 2.30   0.187% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.77 +/- 4.42   0.486% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  22.44 +/- 3.68   0.242% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.53, residual support = 13.1:
          QB    LYS+  81 - HN    SER   82   3.12 +/- 0.31  91.674% * 96.3390% (0.97   4.53  13.06) =  99.969%  kept
          HB3   GLN   90 - HN    SER   82  12.06 +/- 1.60   2.212% *  0.4066% (0.92   0.02   0.02) =   0.010%
          QB    LYS+ 106 - HN    SER   82  16.23 +/- 2.20   0.864% *  0.4317% (0.98   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    SER   82  17.79 +/- 3.32   0.914% *  0.3025% (0.69   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    SER   82  15.59 +/- 4.49   1.105% *  0.2317% (0.53   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    SER   82  18.09 +/- 3.21   0.608% *  0.3820% (0.87   0.02   0.02) =   0.003%
          HB2   MET   92 - HN    SER   82  15.28 +/- 1.89   0.926% *  0.1653% (0.38   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    SER   82  20.84 +/- 2.47   0.369% *  0.3366% (0.76   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    SER   82  23.75 +/- 2.92   0.279% *  0.3820% (0.87   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    SER   82  24.98 +/- 4.29   0.321% *  0.3198% (0.73   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    SER   82  24.31 +/- 3.84   0.297% *  0.3198% (0.73   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    SER   82  25.01 +/- 2.81   0.246% *  0.2849% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    SER   82  25.81 +/- 2.02   0.182% *  0.0981% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.902, support = 3.94, residual support = 16.2:
          QG1   VAL   83 - HN    SER   82   4.85 +/- 0.56  42.662% * 81.7167% (0.95   4.48  19.38) =  83.170%  kept
          QD2   LEU   80 - HN    SER   82   4.96 +/- 0.71  40.592% * 17.3177% (0.69   1.31   0.30) =  16.770%  kept
          QG2   ILE   89 - HN    SER   82   7.95 +/- 0.74   9.919% *  0.1316% (0.34   0.02   0.02) =   0.031%
          QD1   LEU   73 - HN    SER   82  11.57 +/- 1.92   3.730% *  0.1191% (0.31   0.02   0.02) =   0.011%
          QD1   LEU  104 - HN    SER   82  18.30 +/- 3.58   1.241% *  0.3461% (0.90   0.02   0.02) =   0.010%
          QD2   LEU  115 - HN    SER   82  18.12 +/- 1.52   0.841% *  0.2497% (0.65   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    SER   82  17.71 +/- 2.79   1.016% *  0.1191% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.73, residual support = 104.7:
      O   QB    LYS+  81 - HN    LYS+  81   2.14 +/- 0.18  97.196% * 99.1460% (0.97  10.0   5.73 104.66) =  99.998%  kept
          HB3   GLN   90 - HN    LYS+  81  12.10 +/- 1.62   0.705% *  0.0948% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  81  16.70 +/- 2.16   0.240% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  15.47 +/- 4.40   0.348% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  18.29 +/- 3.35   0.201% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.23 +/- 2.31   0.437% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  18.87 +/- 3.15   0.231% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  22.57 +/- 3.95   0.142% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  22.55 +/- 2.93   0.106% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  21.18 +/- 2.60   0.115% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  25.45 +/- 4.66   0.114% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  24.38 +/- 3.22   0.095% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  24.61 +/- 2.10   0.069% *  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 = 5.09, residual support = 104.6:
          QG    LYS+  81 - HN    LYS+  81   2.99 +/- 0.57  96.138% * 98.8068% (0.97   5.09 104.66) =  99.992%  kept
          HG2   LYS+ 106 - HN    LYS+  81  19.18 +/- 2.95   0.757% *  0.3716% (0.92   0.02   0.02) =   0.003%
          HG2   LYS+  33 - HN    LYS+  81  19.94 +/- 3.89   0.580% *  0.3808% (0.95   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HN    LYS+  81  13.79 +/- 1.69   1.411% *  0.1373% (0.34   0.02   0.02) =   0.002%
          HG    LEU  104 - HN    LYS+  81  21.82 +/- 3.88   0.590% *  0.0896% (0.22   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LYS+  81  23.01 +/- 2.29   0.314% *  0.1242% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  26.54 +/- 3.01   0.209% *  0.0896% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.429, support = 5.69, residual support = 39.1:
          QD2   LEU   80 - HN    LYS+  81   4.57 +/- 0.75  38.298% * 76.7373% (0.53   5.82  39.16) =  74.017%  kept
          QD1   LEU   80 - HN    LYS+  81   4.13 +/- 0.83  49.482% * 20.7509% (0.15   5.36  39.16) =  25.860%  kept
          QG2   VAL   41 - HN    LYS+  81  13.08 +/- 2.83   3.059% *  0.6773% (0.28   0.10   0.02) =   0.052%
          QD1   LEU   73 - HN    LYS+  81  11.10 +/- 1.66   3.295% *  0.4498% (0.90   0.02   0.02) =   0.037%
          QD1   LEU   63 - HN    LYS+  81  17.03 +/- 2.72   0.922% *  0.4498% (0.90   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    LYS+  81  16.76 +/- 2.27   0.871% *  0.4189% (0.84   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    LYS+  81  17.42 +/- 1.70   0.738% *  0.2839% (0.57   0.02   0.02) =   0.005%
          QD2   LEU   98 - HN    LYS+  81  13.93 +/- 2.86   2.490% *  0.0774% (0.15   0.02   0.02) =   0.005%
          QD1   LEU  104 - HN    LYS+  81  18.85 +/- 3.63   0.846% *  0.1548% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.58, support = 3.94, residual support = 17.0:
          HB2   ASP-  78 - HN    GLU-  79   3.02 +/- 0.48  50.964% * 77.3827% (0.60   4.56  20.66) =  79.725%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.12 +/- 0.59  45.781% * 21.8984% (0.51   1.51   2.39) =  20.267%  kept
          QE    LYS+  33 - HN    GLU-  79  18.05 +/- 3.43   0.567% *  0.1821% (0.32   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    GLU-  79  14.77 +/- 3.88   0.651% *  0.1423% (0.25   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    GLU-  79  16.43 +/- 4.04   0.792% *  0.0963% (0.17   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    GLU-  79  22.02 +/- 3.79   0.237% *  0.2514% (0.44   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    GLU-  79  11.70 +/- 1.22   1.010% *  0.0469% (0.08   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 = 4.29, residual support = 56.6:
      O   HB2   GLU-  79 - HN    GLU-  79   2.60 +/- 0.23  97.456% * 98.3341% (0.09  10.0   4.29  56.64) =  99.992%  kept
          HG3   GLU-  25 - HN    GLU-  79  15.94 +/- 4.10   0.699% *  0.4123% (0.39   1.0   0.02   0.02) =   0.003%
          HG2   PRO   52 - HN    GLU-  79  17.50 +/- 4.92   0.806% *  0.2857% (0.27   1.0   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    GLU-  79  21.45 +/- 3.33   0.253% *  0.5103% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    GLU-  79  19.11 +/- 2.52   0.354% *  0.2174% (0.21   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    GLU-  79  23.71 +/- 3.86   0.262% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  22.67 +/- 2.09   0.171% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.16, residual support = 56.6:
      O   HB3   GLU-  79 - HN    GLU-  79   2.88 +/- 0.52  95.984% * 99.6469% (0.59  10.0   4.16  56.64) =  99.997%  kept
          HB2   GLN   90 - HN    GLU-  79  13.49 +/- 2.44   1.966% *  0.0789% (0.47   1.0   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    GLU-  79  17.86 +/- 3.91   0.532% *  0.0953% (0.56   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  79  20.87 +/- 3.62   0.479% *  0.1023% (0.60   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    GLU-  79  17.33 +/- 3.91   0.605% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  24.86 +/- 5.05   0.434% *  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 = 39.7:
      O   HB3   ASP-  78 - HN    ASP-  78   2.59 +/- 0.55  88.798% * 98.7558% (0.49  10.0   3.95  39.74) =  99.930%  kept
          QE    LYS+  74 - HN    ASP-  78   7.94 +/- 1.75   6.017% *  0.8719% (0.98   1.0   0.09   0.02) =   0.060%
          QB    CYS   50 - HN    ASP-  78  11.64 +/- 3.81   4.338% *  0.1958% (0.97   1.0   0.02   0.02) =   0.010%
          HB3   ASN   69 - HN    ASP-  78  21.99 +/- 3.04   0.219% *  0.1312% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  14.90 +/- 0.74   0.627% *  0.0452% (0.22   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 = 0.968, support = 5.32, residual support = 36.7:
      O   HB2   ASP-  78 - HN    ASP-  78   2.68 +/- 0.45  67.814% * 81.9443% (0.98  10.0   5.34  39.74) =  91.445%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.92 +/- 0.68  29.067% * 17.8821% (0.84   1.0   5.12   4.09) =   8.554%  kept
          QE    LYS+  33 - HN    ASP-  78  18.98 +/- 3.70   0.651% *  0.0440% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  16.17 +/- 4.33   0.848% *  0.0232% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.01 +/- 3.55   0.500% *  0.0344% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASP-  78  12.30 +/- 1.14   0.953% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  22.35 +/- 3.25   0.168% *  0.0607% (0.73   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 = 4.65, residual support = 27.6:
      O   HA    THR   77 - HN    ASP-  78   3.51 +/- 0.09  87.994% * 99.9219% (0.92  10.0   4.65  27.63) =  99.996%  kept
          HA    LEU   31 - HN    ASP-  78  17.27 +/- 4.29   5.089% *  0.0241% (0.22   1.0   0.02   0.02) =   0.001%
          HD2   PRO   93 - HN    ASP-  78  12.49 +/- 4.00   4.219% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   TRP   27 - HN    ASP-  78  12.21 +/- 3.01   2.698% *  0.0270% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.61, residual support = 4.09:
          HA    ASP-  76 - HN    ASP-  78   3.70 +/- 0.38  99.100% * 99.6687% (0.95   2.61   4.09) =  99.997%  kept
          HA    LEU   67 - HN    ASP-  78  18.41 +/- 2.43   0.900% *  0.3313% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 37.5:
      O   HA    THR   77 - HN    THR   77   2.80 +/- 0.04  93.690% * 99.8846% (0.98  10.0   4.03  37.50) =  99.996%  kept
          HD2   PRO   93 - HN    THR   77  10.83 +/- 4.07   4.238% *  0.0577% (0.57   1.0   0.02   0.02) =   0.003%
          HB2   TRP   27 - HN    THR   77  11.56 +/- 2.95   2.073% *  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 = 0.932, support = 3.49, residual support = 15.4:
          HB2   ASP-  76 - HN    THR   77   4.26 +/- 0.33  58.043% * 60.1857% (1.00   3.64  10.68) =  71.987%  kept
          HB2   ASP-  78 - HN    THR   77   5.19 +/- 0.53  34.584% * 39.2877% (0.76   3.10  27.63) =  27.999%  kept
          QE    LYS+  33 - HN    THR   77  18.09 +/- 3.79   3.436% *  0.0827% (0.25   0.02   0.02) =   0.006%
          HB2   ASN   69 - HN    THR   77  20.63 +/- 2.57   0.610% *  0.3201% (0.97   0.02   0.02) =   0.004%
          HB2   ASN   28 - HN    THR   77  15.59 +/- 3.75   2.308% *  0.0581% (0.18   0.02   0.02) =   0.003%
          QE    LYS+  66 - HN    THR   77  17.63 +/- 2.28   1.018% *  0.0656% (0.20   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 = 3.62, residual support = 10.6:
          HB3   ASP-  76 - HN    THR   77   3.94 +/- 0.52  64.454% * 95.2536% (0.57   3.64  10.68) =  99.675%  kept
          HG3   MET   92 - HN    THR   77   9.86 +/- 4.99  14.471% *  0.9253% (1.00   0.02   0.02) =   0.217%  kept
          QG    GLN   90 - HN    THR   77  10.21 +/- 2.30   5.823% *  0.3156% (0.34   0.02   0.02) =   0.030%
          HB2   ASP-  44 - HN    THR   77   9.25 +/- 1.56   7.714% *  0.1831% (0.20   0.02   0.02) =   0.023%
          HB2   GLU-  29 - HN    THR   77  17.75 +/- 3.89   1.349% *  0.9070% (0.98   0.02   0.02) =   0.020%
          HG12  ILE  119 - HN    THR   77  18.01 +/- 2.96   0.955% *  0.6356% (0.69   0.02   0.02) =   0.010%
          HB2   ASP- 105 - HN    THR   77  18.32 +/- 1.81   0.719% *  0.7409% (0.80   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    THR   77  13.86 +/- 1.08   1.885% *  0.2573% (0.28   0.02   0.02) =   0.008%
          QG    GLU-  14 - HN    THR   77  19.49 +/- 4.19   0.983% *  0.2060% (0.22   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HN    THR   77  23.49 +/- 2.67   0.376% *  0.4504% (0.49   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    THR   77  19.45 +/- 4.16   1.270% *  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   2.17 +/- 0.38  75.370% * 96.0957% (0.61   4.03  37.50) =  99.856%  kept
          HB2   LEU   31 - HN    THR   77  15.71 +/- 4.90  16.143% *  0.4454% (0.57   0.02   0.02) =   0.099%
          HB3   LEU   80 - HN    THR   77   6.85 +/- 1.51   3.933% *  0.3234% (0.41   0.02   0.59) =   0.018%
          QB    ALA   88 - HN    THR   77  11.70 +/- 2.18   1.688% *  0.7441% (0.95   0.02   0.02) =   0.017%
          HB3   ASP-  44 - HN    THR   77   8.97 +/- 2.00   1.981% *  0.1751% (0.22   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    THR   77  24.28 +/- 4.10   0.198% *  0.7591% (0.97   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    THR   77  14.30 +/- 2.94   0.406% *  0.2428% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    THR   77  18.71 +/- 3.08   0.167% *  0.5089% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    THR   77  22.04 +/- 2.39   0.115% *  0.7055% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.38 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 = 0.876, support = 1.06, residual support = 1.66:
          QB    ALA   47 - HN    THR   77   8.15 +/- 2.84  45.734% * 67.0589% (0.90   1.17   2.01) =  79.842%  kept
          QG1   VAL   42 - HN    THR   77  10.50 +/- 0.83  23.799% * 31.8919% (0.80   0.63   0.29) =  19.760%  kept
          QB    ALA   64 - HN    THR   77  10.37 +/- 1.34  22.810% *  0.4781% (0.38   0.02   0.02) =   0.284%  kept
          HG2   LYS+ 112 - HN    THR   77  14.70 +/- 2.48   7.657% *  0.5711% (0.45   0.02   0.02) =   0.114%  kept
    Distance limit 4.40 A violated in 14 structures by 2.72 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 83.0:
      O   HA    VAL   75 - HN    VAL   75   2.91 +/- 0.02  89.458% * 99.8428% (0.97  10.0   5.23  82.98) =  99.995%  kept
          HA    ALA   61 - HN    VAL   75   8.44 +/- 2.44   8.200% *  0.0353% (0.34   1.0   0.02   0.02) =   0.003%
          HD3   PRO   58 - HN    VAL   75  15.30 +/- 2.81   0.891% *  0.1014% (0.98   1.0   0.02   0.02) =   0.001%
          HD2   PRO   68 - HN    VAL   75  12.77 +/- 1.95   1.451% *  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 = 0.841, support = 0.708, residual support = 0.948:
          HB2   ASP-  44 - HN    VAL   75   5.01 +/- 1.79  48.553% * 50.3299% (0.87   0.72   0.65) =  74.170%  kept
          HB3   PHE   72 - HN    VAL   75   7.85 +/- 0.97  18.809% * 43.1457% (0.76   0.70   1.90) =  24.632%  kept
          QG    GLU-  15 - HN    VAL   75  14.42 +/- 3.58  10.850% *  1.5215% (0.95   0.02   0.02) =   0.501%  kept
          QB    MET   11 - HN    VAL   75  19.42 +/- 5.60   9.431% *  1.4425% (0.90   0.02   0.02) =   0.413%  kept
          QG    GLU-  14 - HN    VAL   75  14.94 +/- 3.69   3.199% *  1.3435% (0.84   0.02   0.02) =   0.130%  kept
          QG    GLN   90 - HN    VAL   75  13.74 +/- 1.40   2.348% *  1.1049% (0.69   0.02   0.02) =   0.079%
          HG12  ILE  119 - HN    VAL   75  14.85 +/- 2.60   1.969% *  0.5487% (0.34   0.02   0.02) =   0.033%
          HG2   MET   92 - HN    VAL   75  13.20 +/- 3.14   3.485% *  0.2817% (0.18   0.02   0.02) =   0.030%
          HG3   GLU-  36 - HN    VAL   75  20.55 +/- 2.98   1.357% *  0.2817% (0.18   0.02   0.02) =   0.012%
    Distance limit 4.62 A violated in 0 structures by 0.20 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.39, support = 3.47, residual support = 21.6:
          HB3   LYS+  74 - HN    VAL   75   4.46 +/- 0.17  35.246% * 39.8883% (0.20   4.49  31.83) =  65.942%  kept
          HG    LEU   73 - HN    VAL   75   6.91 +/- 1.12  12.967% * 53.5247% (0.76   1.56   1.79) =  32.553%  kept
          QB    ALA   61 - HN    VAL   75   8.36 +/- 2.02   9.833% *  0.8805% (0.98   0.02   0.02) =   0.406%  kept
          HG    LEU   80 - HN    VAL   75   8.14 +/- 2.17  10.678% *  0.7792% (0.87   0.02   0.34) =   0.390%  kept
          HB3   LEU   67 - HN    VAL   75   9.87 +/- 2.57   5.593% *  0.8963% (1.00   0.02   0.02) =   0.235%  kept
          HG12  ILE   19 - HN    VAL   75  10.35 +/- 3.03   4.243% *  0.6865% (0.76   0.02   0.02) =   0.137%  kept
          HB2   LEU   80 - HN    VAL   75   8.48 +/- 1.81   7.114% *  0.3064% (0.34   0.02   0.34) =   0.102%  kept
          QG    LYS+  66 - HN    VAL   75  12.20 +/- 1.87   2.101% *  0.8292% (0.92   0.02   0.02) =   0.082%
          HG    LEU   67 - HN    VAL   75  10.40 +/- 2.82   6.328% *  0.1778% (0.20   0.02   0.02) =   0.053%
          QB    ALA  110 - HN    VAL   75  15.75 +/- 2.44   1.040% *  0.7503% (0.84   0.02   0.02) =   0.037%
          HB3   LEU  115 - HN    VAL   75  13.11 +/- 2.13   1.878% *  0.2498% (0.28   0.02   0.02) =   0.022%
          HG    LEU   40 - HN    VAL   75  12.20 +/- 0.85   1.858% *  0.2498% (0.28   0.02   0.02) =   0.022%
          HG2   LYS+ 102 - HN    VAL   75  19.71 +/- 2.73   0.535% *  0.5811% (0.65   0.02   0.02) =   0.015%
          HD3   LYS+ 121 - HN    VAL   75  19.18 +/- 2.99   0.587% *  0.2000% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.9, residual support = 31.7:
          HG2   LYS+  74 - HN    VAL   75   3.40 +/- 0.67  63.754% * 95.4041% (0.45   5.92  31.83) =  99.696%  kept
          QB    ALA   34 - HN    VAL   75  10.82 +/- 2.70  18.119% *  0.4940% (0.69   0.02   0.02) =   0.147%  kept
          QG2   THR   39 - HN    VAL   75  11.40 +/- 2.24   4.842% *  0.6940% (0.97   0.02   0.02) =   0.055%
          QG2   ILE   56 - HN    VAL   75  12.34 +/- 2.55   2.532% *  0.6238% (0.87   0.02   0.02) =   0.026%
          HG13  ILE   19 - HN    VAL   75  10.73 +/- 3.06   3.155% *  0.4940% (0.69   0.02   0.02) =   0.026%
          QB    ALA   91 - HN    VAL   75  12.78 +/- 1.77   1.913% *  0.6940% (0.97   0.02   0.02) =   0.022%
          QG2   THR   23 - HN    VAL   75  11.02 +/- 1.80   2.618% *  0.2453% (0.34   0.02   0.02) =   0.011%
          HG    LEU   71 - HN    VAL   75  12.35 +/- 1.73   2.081% *  0.2957% (0.41   0.02   0.02) =   0.010%
          HG3   LYS+  38 - HN    VAL   75  20.11 +/- 3.04   0.482% *  0.7049% (0.98   0.02   0.02) =   0.006%
          HG3   LYS+  99 - HN    VAL   75  17.84 +/- 1.68   0.505% *  0.3501% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.931, support = 4.5, residual support = 81.3:
      O   HB    VAL   75 - HN    VAL   75   2.46 +/- 0.55  75.144% * 85.5843% (0.95  10.0   4.44  82.98) =  96.818%  kept
          HG3   LYS+  74 - HN    VAL   75   4.67 +/- 0.67  14.836% * 14.2034% (0.49   1.0   6.45  31.83) =   3.172%  kept
          QD1   LEU   67 - HN    VAL   75   7.49 +/- 2.24   6.823% *  0.0657% (0.73   1.0   0.02   0.02) =   0.007%
          QD2   LEU   40 - HN    VAL   75  11.07 +/- 0.89   1.328% *  0.0691% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   75  12.93 +/- 1.80   0.979% *  0.0549% (0.61   1.0   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    VAL   75  12.06 +/- 2.55   0.890% *  0.0226% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.528, support = 1.53, residual support = 1.53:
          QD2   LEU   73 - HN    VAL   75   5.46 +/- 1.36  22.572% * 61.3207% (0.41   2.11   1.79) =  67.564%  kept
          QG2   THR   46 - HN    VAL   75   5.80 +/- 1.96  22.648% * 18.9554% (0.69   0.39   1.54) =  20.956%  kept
          QG1   VAL   43 - HN    VAL   75   6.57 +/- 1.72  12.807% * 15.3056% (0.97   0.22   0.02) =   9.568%  kept
          QG2   VAL   18 - HN    VAL   75   7.38 +/- 3.67  15.403% *  1.1317% (0.80   0.02   0.02) =   0.851%  kept
          QG1   VAL   41 - HN    VAL   75   9.77 +/- 1.86   7.002% *  1.4101% (1.00   0.02   0.02) =   0.482%  kept
          HG    LEU   31 - HN    VAL   75  10.54 +/- 3.08  10.517% *  0.8001% (0.57   0.02   0.02) =   0.411%  kept
          QD1   ILE   19 - HN    VAL   75   9.42 +/- 2.33   4.333% *  0.4821% (0.34   0.02   0.02) =   0.102%  kept
          QD1   ILE   56 - HN    VAL   75  11.21 +/- 1.99   3.311% *  0.2797% (0.20   0.02   0.02) =   0.045%
          QD2   LEU  104 - HN    VAL   75  13.95 +/- 2.50   1.408% *  0.3146% (0.22   0.02   0.02) =   0.022%
    Distance limit 4.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.23, residual support = 83.0:
          QG1   VAL   75 - HN    VAL   75   3.39 +/- 0.29  95.675% * 99.6845% (0.92   5.23  82.98) =  99.986%  kept
          QD1   LEU  115 - HN    VAL   75  10.44 +/- 1.45   4.325% *  0.3155% (0.76   0.02   0.02) =   0.014%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 82.9:
          QG2   VAL   75 - HN    VAL   75   3.00 +/- 0.53  86.901% * 99.5140% (0.49   4.97  82.98) =  99.964%  kept
          QG2   VAL   42 - HN    VAL   75   8.27 +/- 0.93   6.043% *  0.2808% (0.34   0.02   0.02) =   0.020%
          QD1   ILE   89 - HN    VAL   75   8.55 +/- 1.76   7.056% *  0.2052% (0.25   0.02   0.02) =   0.017%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.695, support = 4.34, residual support = 183.2:
      O   HB3   LYS+  74 - HN    LYS+  74   2.51 +/- 0.27  55.680% * 90.3016% (0.71  10.0   4.33 186.67) =  97.711%  kept
          HB3   LEU   73 - HN    LYS+  74   3.58 +/- 0.68  25.200% *  3.8111% (0.11   1.0   5.46  41.36) =   1.866%  kept
          HG12  ILE   19 - HN    LYS+  74   7.28 +/- 2.99   3.934% *  5.3802% (0.43   1.0   1.96   8.38) =   0.411%  kept
          HB2   LEU   80 - HN    LYS+  74   9.95 +/- 2.12   1.266% *  0.0873% (0.68   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    LYS+  74   9.18 +/- 2.61   2.148% *  0.0441% (0.34   1.0   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    LYS+  74  12.32 +/- 2.11   1.197% *  0.0785% (0.61   1.0   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+  74   9.11 +/- 1.88   4.000% *  0.0179% (0.14   1.0   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    LYS+  74   8.66 +/- 1.54   2.281% *  0.0279% (0.22   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+  74  14.90 +/- 3.96   0.738% *  0.0549% (0.43   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LYS+  74  20.32 +/- 3.93   0.248% *  0.0905% (0.71   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  10.01 +/- 2.21   1.226% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  11.31 +/- 2.21   1.066% *  0.0179% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.53 +/- 2.09   0.770% *  0.0226% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  18.01 +/- 3.00   0.244% *  0.0476% (0.37   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 = 5.93, residual support = 41.3:
          QD2   LEU   73 - HN    LYS+  74   3.87 +/- 0.57  84.125% * 97.3359% (0.20   5.94  41.36) =  99.907%  kept
          QD1   ILE   56 - HN    LYS+  74  12.69 +/- 2.18   6.011% *  0.6206% (0.37   0.02   0.02) =   0.046%
          HG3   LYS+ 121 - HN    LYS+  74  20.57 +/- 4.16   1.310% *  1.1691% (0.70   0.02   0.02) =   0.019%
          HG    LEU   31 - HN    LYS+  74   9.95 +/- 1.81   7.298% *  0.2066% (0.12   0.02   0.02) =   0.018%
          QD2   LEU  123 - HN    LYS+  74  18.06 +/- 2.96   1.257% *  0.6678% (0.40   0.02   0.02) =   0.010%
    Distance limit 3.88 A violated in 0 structures by 0.24 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.68, residual support = 41.3:
          HB2   LEU   73 - HN    LYS+  74   2.89 +/- 0.98  86.845% * 97.9498% (0.64   5.68  41.36) =  99.962%  kept
          QD    LYS+ 106 - HN    LYS+  74  16.43 +/- 2.01   2.060% *  0.3813% (0.70   0.02   0.02) =   0.009%
          QD    LYS+  99 - HN    LYS+  74  16.06 +/- 2.35   1.797% *  0.3839% (0.71   0.02   0.02) =   0.008%
          QG1   ILE   56 - HN    LYS+  74  13.58 +/- 2.24   2.280% *  0.2178% (0.40   0.02   0.02) =   0.006%
          HB3   MET   92 - HN    LYS+  74  15.76 +/- 1.95   1.263% *  0.2940% (0.54   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HN    LYS+  74  16.95 +/- 2.34   1.528% *  0.1725% (0.32   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    LYS+  74  15.56 +/- 2.67   1.908% *  0.1312% (0.24   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    LYS+  74  22.34 +/- 3.73   0.929% *  0.2489% (0.46   0.02   0.02) =   0.003%
          HB2   LEU  123 - HN    LYS+  74  21.78 +/- 3.65   0.576% *  0.1444% (0.27   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LYS+  74  18.53 +/- 2.81   0.814% *  0.0761% (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 = 0.546, support = 0.02, residual support = 0.0459:
          HB    VAL   41 - HN    LYS+  74  10.45 +/- 2.43  19.848% * 15.4986% (0.71   0.02   0.02) =  29.987%  kept
          QB    LYS+  66 - HN    LYS+  74  11.66 +/- 0.69  11.930% * 14.9905% (0.68   0.02   0.02) =  17.434%  kept
          QB    LYS+  65 - HN    LYS+  74   9.51 +/- 1.51  25.733% *  6.3858% (0.29   0.02   0.02) =  16.019%  kept
          HB2   LEU   71 - HN    LYS+  74  10.08 +/- 1.32  20.949% *  5.8297% (0.27   0.02   0.24) =  11.905%  kept
          HG12  ILE  103 - HN    LYS+  74  15.34 +/- 2.37   5.370% * 14.6936% (0.67   0.02   0.02) =   7.691%  kept
          HG2   PRO   93 - HN    LYS+  74  16.02 +/- 2.54   6.037% * 11.8708% (0.54   0.02   0.02) =   6.986%  kept
          HB3   PRO   52 - HN    LYS+  74  18.83 +/- 3.42   3.861% * 11.2793% (0.51   0.02   0.02) =   4.245%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.51 +/- 2.37   3.838% *  8.1723% (0.37   0.02   0.02) =   3.058%  kept
          HG    LEU  123 - HN    LYS+  74  21.12 +/- 3.62   2.434% * 11.2793% (0.51   0.02   0.02) =   2.676%  kept
    Distance limit 4.62 A violated in 19 structures by 2.85 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.779, support = 4.92, residual support = 38.3:
          HB3   PHE   72 - HN    LEU   73   3.72 +/- 0.62  60.787% * 71.6937% (0.76   5.45  44.16) =  85.523%  kept
          HB2   ASP-  44 - HN    LEU   73   6.67 +/- 2.12  27.303% * 26.9103% (0.87   1.80   3.86) =  14.419%  kept
          QG    GLU-  15 - HN    LEU   73  11.37 +/- 3.16   3.856% *  0.3255% (0.95   0.02   0.02) =   0.025%
          QG    GLU-  14 - HN    LEU   73  12.52 +/- 3.55   2.977% *  0.2875% (0.84   0.02   0.02) =   0.017%
          QB    MET   11 - HN    LEU   73  17.52 +/- 4.38   1.460% *  0.3086% (0.90   0.02   0.02) =   0.009%
          QG    GLN   90 - HN    LEU   73  16.75 +/- 1.73   0.731% *  0.2364% (0.69   0.02   0.02) =   0.003%
          HG12  ILE  119 - HN    LEU   73  14.84 +/- 3.33   1.221% *  0.1174% (0.34   0.02   0.02) =   0.003%
          HG3   GLU-  36 - HN    LEU   73  16.69 +/- 2.43   0.979% *  0.0603% (0.18   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    LEU   73  17.27 +/- 2.13   0.687% *  0.0603% (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 = 6.21, residual support = 173.0:
      O   HB2   LEU   73 - HN    LEU   73   3.35 +/- 0.50  84.893% * 99.3783% (0.99  10.0   6.21 172.97) =  99.991%  kept
          QD    LYS+  99 - HN    LEU   73  13.33 +/- 2.13   1.924% *  0.0870% (0.87   1.0   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    LEU   73  14.63 +/- 1.20   1.176% *  0.0899% (0.90   1.0   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    LEU   73  16.48 +/- 2.05   0.998% *  0.0994% (0.99   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    LEU   73  16.05 +/- 3.19   2.007% *  0.0488% (0.49   1.0   0.02   0.02) =   0.001%
          QG1   ILE   56 - HN    LEU   73  12.88 +/- 2.77   3.733% *  0.0250% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    LEU   73  16.04 +/- 3.10   1.218% *  0.0689% (0.69   1.0   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    LEU   73  21.44 +/- 4.74   0.544% *  0.0948% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    LEU   73  20.04 +/- 3.76   0.627% *  0.0728% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    LEU   73  13.92 +/- 2.00   1.692% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  14.82 +/- 1.37   1.186% *  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 = 0.453, support = 6.17, residual support = 155.6:
      O   HB3   LEU   73 - HN    LEU   73   3.06 +/- 0.46  52.935% * 58.9378% (0.41  10.0   6.48 172.97) =  87.778%  kept
          HB3   LYS+  74 - HN    LEU   73   6.21 +/- 0.83  11.620% * 27.3005% (0.87   1.0   4.39  41.36) =   8.926%  kept
          HB    VAL   42 - HN    LEU   73   6.46 +/- 1.48   8.561% * 11.3828% (0.49   1.0   3.26   0.45) =   2.742%  kept
          HG12  ILE   19 - HN    LEU   73   6.58 +/- 3.16  12.029% *  1.5441% (0.28   1.0   0.77   5.45) =   0.523%  kept
          QB    LEU   98 - HN    LEU   73   9.91 +/- 2.06   1.934% *  0.1430% (1.00   1.0   0.02   0.02) =   0.008%
          HG3   LYS+  33 - HN    LEU   73  10.75 +/- 3.00   1.965% *  0.0812% (0.57   1.0   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    LEU   73  11.23 +/- 2.16   1.491% *  0.0985% (0.69   1.0   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HN    LEU   73  16.76 +/- 4.88   2.701% *  0.0442% (0.31   1.0   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    LEU   73  18.40 +/- 3.64   0.946% *  0.1197% (0.84   1.0   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    LEU   73  15.49 +/- 3.60   0.771% *  0.1323% (0.92   1.0   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   73  11.88 +/- 1.28   1.353% *  0.0698% (0.49   1.0   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    LEU   73  10.66 +/- 2.50   2.040% *  0.0284% (0.20   1.0   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    LEU   73  17.27 +/- 3.31   0.664% *  0.0319% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   73  17.48 +/- 2.80   0.389% *  0.0538% (0.38   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LEU   73  14.70 +/- 1.32   0.601% *  0.0319% (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 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.969, support = 7.91, residual support = 170.0:
          QD2   LEU   73 - HN    LEU   73   1.97 +/- 0.52  77.160% * 84.5554% (0.98   8.00 172.97) =  98.258%  kept
          QG1   VAL   43 - HN    LEU   73   6.44 +/- 2.12   7.936% * 14.0104% (0.38   3.46   2.76) =   1.674%  kept
          QG1   VAL   41 - HN    LEU   73   7.04 +/- 2.12   3.443% *  0.9497% (0.57   0.16   0.02) =   0.049%
          HG    LEU   31 - HN    LEU   73   8.15 +/- 2.48   2.268% *  0.2153% (1.00   0.02   1.62) =   0.007%
          QD1   ILE   56 - HN    LEU   73  12.12 +/- 2.72   2.602% *  0.1728% (0.80   0.02   0.02) =   0.007%
          QG2   VAL   18 - HN    LEU   73   6.65 +/- 2.67   6.133% *  0.0427% (0.20   0.02   0.81) =   0.004%
          HG3   LYS+ 121 - HN    LEU   73  18.62 +/- 3.90   0.458% *  0.0538% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.584, support = 5.97, residual support = 156.7:
          QD1   LEU   73 - HN    LEU   73   3.26 +/- 0.90  47.479% * 65.8867% (0.57   6.50 172.97) =  90.613%  kept
          QD2   LEU   63 - HN    LEU   73   7.94 +/- 1.39   7.864% * 16.7060% (1.00   0.93   0.02) =   3.805%  kept
          QG2   VAL   41 - HN    LEU   73   6.28 +/- 2.04  19.656% *  6.3358% (0.61   0.58   0.02) =   3.607%  kept
          QD1   LEU   63 - HN    LEU   73   8.58 +/- 1.52   6.219% * 10.6085% (0.57   1.05   0.02) =   1.911%  kept
          QD2   LEU   98 - HN    LEU   73   8.98 +/- 2.52   5.662% *  0.1471% (0.41   0.02   0.02) =   0.024%
          QD1   LEU   80 - HN    LEU   73   9.34 +/- 2.51   3.703% *  0.1471% (0.41   0.02   0.02) =   0.016%
          QD2   LEU  115 - HN    LEU   73  11.84 +/- 3.45   5.541% *  0.0892% (0.25   0.02   0.02) =   0.014%
          QD2   LEU   80 - HN    LEU   73   8.60 +/- 1.93   3.876% *  0.0797% (0.22   0.02   0.02) =   0.009%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.69, support = 2.8, residual support = 3.02:
          QB    ALA   64 - HN    LEU   73   4.86 +/- 0.55  46.092% * 85.9010% (0.73   3.10   3.40) =  86.997%  kept
          QG1   VAL   42 - HN    LEU   73   5.26 +/- 1.42  43.568% * 13.5340% (0.45   0.79   0.45) =  12.956%  kept
          QB    ALA   47 - HN    LEU   73  13.37 +/- 1.89   2.564% *  0.4316% (0.57   0.02   0.02) =   0.024%
          HG2   LYS+ 112 - HN    LEU   73  15.93 +/- 4.90   7.777% *  0.1335% (0.18   0.02   0.02) =   0.023%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.289, support = 1.65, residual support = 2.67:
          QG2   VAL   43 - HN    LEU   73   6.26 +/- 2.13  38.220% * 90.9587% (0.25   1.75   2.76) =  94.052%  kept
          QD2   LEU   31 - HN    LEU   73   6.20 +/- 2.33  40.502% *  4.1579% (1.00   0.02   1.62) =   4.556%  kept
          QG2   VAL   83 - HN    LEU   73   9.82 +/- 1.87  10.190% *  3.0193% (0.73   0.02   0.02) =   0.832%  kept
          QD1   ILE   89 - HN    LEU   73  10.61 +/- 1.42  11.088% *  1.8641% (0.45   0.02   0.02) =   0.559%  kept
    Distance limit 4.62 A violated in 5 structures by 0.73 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.576, support = 4.73, residual support = 85.2:
      O   HB2   PHE   72 - HN    PHE   72   3.65 +/- 0.28  63.098% * 79.7012% (0.53  10.0   4.98  90.10) =  88.735%  kept
          HA    ALA   64 - HN    PHE   72   5.07 +/- 1.00  31.527% * 20.2454% (0.97   1.0   2.77  46.61) =  11.262%  kept
          HB3   ASN   69 - HN    PHE   72   9.11 +/- 0.64   4.254% *  0.0234% (0.15   1.0   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    PHE   72  14.57 +/- 1.12   1.121% *  0.0300% (0.20   1.0   0.02   0.02) =   0.001%
    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 = 90.0:
      O   HB3   PHE   72 - HN    PHE   72   3.12 +/- 0.40  71.186% * 98.9833% (0.76  10.0   5.27  90.10) =  99.872%  kept
          HB2   ASP-  44 - HN    PHE   72   7.67 +/- 1.80  15.706% *  0.4913% (0.87   1.0   0.09   0.02) =   0.109%  kept
          QG    GLU-  15 - HN    PHE   72   9.51 +/- 3.46   4.690% *  0.1225% (0.95   1.0   0.02   0.02) =   0.008%
          QG    GLU-  14 - HN    PHE   72  11.45 +/- 3.49   3.924% *  0.1082% (0.84   1.0   0.02   0.02) =   0.006%
          QB    MET   11 - HN    PHE   72  16.57 +/- 4.49   1.345% *  0.1162% (0.90   1.0   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    PHE   72  14.27 +/- 3.58   1.714% *  0.0442% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    PHE   72  19.01 +/- 1.92   0.414% *  0.0890% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    PHE   72  16.00 +/- 1.70   0.654% *  0.0227% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  19.31 +/- 1.74   0.367% *  0.0227% (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 = 0.982, support = 3.8, residual support = 18.4:
          HG    LEU   71 - HN    PHE   72   5.01 +/- 0.45  33.514% * 89.5141% (0.99   3.96  19.23) =  95.685%  kept
          QG2   THR   39 - HN    PHE   72   6.11 +/- 1.67  23.426% *  3.4563% (0.65   0.23   0.02) =   2.583%  kept
          HG2   LYS+  74 - HN    PHE   72   8.54 +/- 1.17   7.808% *  5.2315% (1.00   0.23   1.31) =   1.303%  kept
          HG13  ILE   19 - HN    PHE   72   6.70 +/- 3.09  26.768% *  0.4314% (0.95   0.02   1.14) =   0.368%  kept
          HG3   LYS+  99 - HN    PHE   72  13.50 +/- 2.03   1.905% *  0.4560% (1.00   0.02   0.02) =   0.028%
          QG2   ILE   56 - HN    PHE   72  13.91 +/- 2.08   2.562% *  0.1015% (0.22   0.02   0.02) =   0.008%
          HG3   LYS+  38 - HN    PHE   72  14.40 +/- 2.24   1.514% *  0.1712% (0.38   0.02   0.02) =   0.008%
          QB    ALA   91 - HN    PHE   72  17.42 +/- 1.61   0.858% *  0.2950% (0.65   0.02   0.02) =   0.008%
          HG12  ILE   89 - HN    PHE   72  16.61 +/- 1.49   0.957% *  0.1875% (0.41   0.02   0.02) =   0.006%
          HG3   LYS+ 111 - HN    PHE   72  21.56 +/- 4.13   0.687% *  0.1556% (0.34   0.02   0.02) =   0.003%
    Distance limit 4.29 A violated in 0 structures by 0.13 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.927, support = 5.0, residual support = 19.6:
          QD2   LEU   71 - HN    PHE   72   3.65 +/- 0.49  46.675% * 89.5101% (0.97   5.24  19.23) =  94.086%  kept
          QD1   LEU   67 - HN    PHE   72   4.99 +/- 1.94  33.392% *  7.4071% (0.31   1.35  26.85) =   5.570%  kept
          HG3   LYS+  74 - HN    PHE   72   9.15 +/- 1.55   6.028% *  2.1432% (0.53   0.23   1.31) =   0.291%  kept
          QD2   LEU   40 - HN    PHE   72   7.29 +/- 0.95   8.308% *  0.0985% (0.28   0.02   0.02) =   0.018%
          QG2   ILE  119 - HN    PHE   72  12.51 +/- 3.24   1.897% *  0.3419% (0.97   0.02   0.02) =   0.015%
          QD1   ILE  103 - HN    PHE   72  11.94 +/- 1.80   1.762% *  0.3535% (1.00   0.02   0.02) =   0.014%
          QG2   ILE  103 - HN    PHE   72  12.30 +/- 1.88   1.938% *  0.1457% (0.41   0.02   0.02) =   0.006%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.3, residual support = 34.4:
          HB    VAL   70 - HN    LEU   71   4.17 +/- 0.29  73.285% * 98.0685% (0.98   6.31  34.42) =  99.805%  kept
          QG    GLN   17 - HN    LEU   71   9.86 +/- 2.90   9.978% *  1.1982% (1.00   0.08   0.02) =   0.166%  kept
          HB2   MET   96 - HN    LEU   71  11.44 +/- 1.69   4.918% *  0.2050% (0.65   0.02   0.02) =   0.014%
          HB2   LYS+  38 - HN    LEU   71  11.33 +/- 1.76   4.468% *  0.0881% (0.28   0.02   0.02) =   0.005%
          HG2   GLU- 100 - HN    LEU   71  12.59 +/- 2.63   5.174% *  0.0706% (0.22   0.02   0.02) =   0.005%
          HB2   GLU-  25 - HN    LEU   71  18.98 +/- 1.22   0.845% *  0.3141% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  76 - HN    LEU   71  16.87 +/- 1.81   1.332% *  0.0555% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 6.35, residual support = 137.5:
      O   HB2   LEU   71 - HN    LEU   71   2.70 +/- 0.52  81.281% * 96.2786% (0.98  10.0   6.36 137.77) =  99.761%  kept
          HB    VAL   41 - HN    LEU   71   7.67 +/- 1.36   5.405% *  3.2924% (0.45   1.0   1.50   3.11) =   0.227%  kept
          QB    LYS+  66 - HN    LEU   71   9.72 +/- 1.33   5.645% *  0.0635% (0.65   1.0   0.02   0.02) =   0.005%
          QB    LYS+  65 - HN    LEU   71  10.68 +/- 1.08   2.504% *  0.0974% (0.99   1.0   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HN    LEU   71  13.58 +/- 2.32   1.549% *  0.0980% (1.00   1.0   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LEU   71  10.99 +/- 3.14   1.908% *  0.0517% (0.53   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   71  12.54 +/- 2.03   1.305% *  0.0303% (0.31   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   71  19.63 +/- 2.86   0.404% *  0.0881% (0.90   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 = 5.76, residual support = 134.5:
          HG    LEU   71 - HN    LEU   71   3.28 +/- 0.50  54.710% * 84.2475% (0.99   5.89 137.77) =  97.617%  kept
          HG13  ILE   19 - HN    LEU   71   9.07 +/- 2.68   4.320% * 12.9381% (0.95   0.95   0.40) =   1.184%  kept
          QG2   THR   39 - HN    LEU   71   4.73 +/- 1.70  33.198% *  1.6609% (0.65   0.18   0.17) =   1.168%  kept
          HG3   LYS+  99 - HN    LEU   71  10.96 +/- 2.32   2.350% *  0.2888% (1.00   0.02   0.02) =   0.014%
          HG2   LYS+  74 - HN    LEU   71  12.09 +/- 1.29   1.397% *  0.2881% (1.00   0.02   0.24) =   0.009%
          HG3   LYS+  38 - HN    LEU   71  11.88 +/- 1.99   1.666% *  0.1084% (0.38   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    LEU   71  14.87 +/- 2.36   1.167% *  0.0643% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   71  18.93 +/- 1.88   0.386% *  0.1868% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   89 - HN    LEU   71  18.03 +/- 1.70   0.459% *  0.1187% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  22.36 +/- 4.61   0.345% *  0.0985% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.907, support = 5.9, residual support = 83.5:
          QG1   VAL   70 - HN    LEU   71   3.96 +/- 0.58  36.084% * 48.3052% (0.98   5.95  34.42) =  49.554%  kept
          QD1   LEU   71 - HN    LEU   71   3.69 +/- 0.63  40.241% * 42.1281% (0.84   6.09 137.77) =  48.197%  kept
          HB3   LEU   63 - HN    LEU   71   8.73 +/- 2.58  14.373% *  2.8510% (0.69   0.50   0.02) =   1.165%  kept
          QG1   VAL   18 - HN    LEU   71   7.89 +/- 2.20   5.845% *  6.4641% (1.00   0.78   0.02) =   1.074%  kept
          QD1   LEU  123 - HN    LEU   71  13.47 +/- 4.19   1.515% *  0.1383% (0.84   0.02   0.02) =   0.006%
          HB3   LEU  104 - HN    LEU   71  12.69 +/- 2.39   1.547% *  0.0806% (0.49   0.02   0.02) =   0.004%
          QG1   VAL  108 - HN    LEU   71  17.55 +/- 2.80   0.395% *  0.0328% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.43, residual support = 34.4:
          QG2   VAL   70 - HN    LEU   71   2.92 +/- 0.51 100.000% *100.0000% (0.73   6.43  34.42) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 81.9:
      O   HB    VAL   70 - HN    VAL   70   2.71 +/- 0.46  86.102% * 99.6297% (0.76  10.0   4.63  81.95) =  99.984%  kept
          QG    GLN   17 - HN    VAL   70   9.08 +/- 3.52  11.121% *  0.1089% (0.84   1.0   0.02   0.02) =   0.014%
          HB2   LYS+  38 - HN    VAL   70  13.20 +/- 1.55   1.151% *  0.0738% (0.57   1.0   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   70  12.72 +/- 1.28   1.125% *  0.0445% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   70  21.05 +/- 2.24   0.231% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.47 +/- 2.11   0.271% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.791, support = 0.663, residual support = 10.7:
          HB3   LEU   67 - HN    VAL   70   4.40 +/- 1.04  34.064% * 29.4267% (0.87   0.61   0.02) =  59.289%  kept
          HG    LEU   40 - HN    VAL   70   6.33 +/- 1.60  16.117% * 31.0618% (0.61   0.93  35.94) =  29.611%  kept
          QG    LYS+  66 - HN    VAL   70   7.45 +/- 1.26  11.311% *  9.1981% (0.98   0.17   0.02) =   6.153%  kept
          HG    LEU   73 - HN    VAL   70  12.05 +/- 1.58   1.948% * 23.4503% (0.99   0.43   0.76) =   2.701%  kept
          HG12  ILE   19 - HN    VAL   70  10.51 +/- 2.87   7.926% *  2.6922% (0.41   0.12   0.02) =   1.262%  kept
          HG    LEU   67 - HN    VAL   70   5.32 +/- 1.24  22.510% *  0.5373% (0.49   0.02   0.02) =   0.715%  kept
          QB    ALA   61 - HN    VAL   70  10.36 +/- 0.84   3.138% *  0.8016% (0.73   0.02   0.02) =   0.149%  kept
          HB3   LEU  115 - HN    VAL   70  14.50 +/- 2.80   0.968% *  0.6696% (0.61   0.02   0.02) =   0.038%
          HG    LEU   80 - HN    VAL   70  17.03 +/- 3.52   1.112% *  0.5808% (0.53   0.02   0.02) =   0.038%
          HG2   LYS+ 102 - HN    VAL   70  17.82 +/- 2.19   0.456% *  1.0443% (0.95   0.02   0.02) =   0.028%
          QB    ALA  110 - HN    VAL   70  18.37 +/- 2.58   0.451% *  0.5373% (0.49   0.02   0.02) =   0.014%
    Distance limit 4.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.929, support = 5.01, residual support = 77.8:
          QG1   VAL   70 - HN    VAL   70   2.55 +/- 0.55  67.798% * 54.9541% (0.92   5.13  81.95) =  91.377%  kept
          QD1   LEU   71 - HN    VAL   70   6.23 +/- 1.07   7.843% * 44.3470% (1.00   3.82  34.42) =   8.530%  kept
          QG1   VAL   18 - HN    VAL   70   7.88 +/- 3.03  13.569% *  0.1938% (0.84   0.02   0.02) =   0.065%
          HB3   LEU   63 - HN    VAL   70   7.48 +/- 1.71   8.577% *  0.0792% (0.34   0.02   0.02) =   0.017%
          QD1   LEU  123 - HN    VAL   70  12.16 +/- 4.50   1.490% *  0.2321% (1.00   0.02   0.02) =   0.008%
          HB3   LEU  104 - HN    VAL   70  13.72 +/- 2.95   0.723% *  0.1938% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.21, residual support = 81.9:
          QG2   VAL   70 - HN    VAL   70   3.57 +/- 0.37 100.000% *100.0000% (0.98   4.21  81.95) = 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 = 2.97, residual support = 61.0:
      O   HB2   ASN   69 - HD22  ASN   69   3.90 +/- 0.28  75.408% * 99.7633% (0.55  10.0   2.97  60.99) =  99.992%  kept
          QE    LYS+  66 - HD22  ASN   69  10.46 +/- 3.23  19.183% *  0.0227% (0.12   1.0   0.02   0.02) =   0.006%
          QE    LYS+  33 - HD22  ASN   69  14.08 +/- 3.36   3.130% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD22  ASN   69  20.58 +/- 2.32   0.641% *  0.1018% (0.56   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   69  24.38 +/- 3.04   0.409% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  20.88 +/- 3.67   1.229% *  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 = 3.17, residual support = 26.2:
          QG1   VAL   70 - HD22  ASN   69   4.41 +/- 0.93  48.936% * 92.2752% (0.56   3.27  27.05) =  96.824%  kept
          QD1   LEU   71 - HD22  ASN   69   7.46 +/- 1.81  22.870% *  5.9778% (0.53   0.22   0.02) =   2.931%  kept
          QD1   LEU  123 - HD22  ASN   69  12.32 +/- 5.35   6.745% *  0.5359% (0.53   0.02   0.02) =   0.078%
          HB3   LEU   63 - HD22  ASN   69   9.99 +/- 3.06  11.620% *  0.2980% (0.30   0.02   0.02) =   0.074%
          HB3   LEU  104 - HD22  ASN   69  13.46 +/- 4.56   5.899% *  0.3664% (0.36   0.02   0.02) =   0.046%
          QG1   VAL   18 - HD22  ASN   69  11.19 +/- 2.07   3.929% *  0.5467% (0.54   0.02   0.02) =   0.046%
    Distance limit 4.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.95, residual support = 2.95:
          HA    LEU   67 - HN    ASN   69   3.90 +/- 0.74 100.000% *100.0000% (0.92   2.95   2.95) = 100.000%  kept
    Distance limit 4.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.2:
          HD2   PRO   68 - HN    ASN   69   3.25 +/- 0.69  93.047% * 99.1833% (0.80   5.97  31.17) =  99.978%  kept
          HA    ALA   61 - HN    ASN   69  11.45 +/- 1.52   3.681% *  0.3925% (0.95   0.02   0.02) =   0.016%
          HA    VAL   75 - HN    ASN   69  14.67 +/- 2.28   2.193% *  0.1557% (0.38   0.02   0.02) =   0.004%
          HD3   PRO   58 - HN    ASN   69  16.94 +/- 1.93   1.079% *  0.2684% (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 = 5.97, residual support = 31.2:
          HD3   PRO   68 - HN    ASN   69   3.50 +/- 0.71  92.362% * 98.4639% (0.99   5.97  31.17) =  99.975%  kept
          HD2   ARG+  54 - HN    ASN   69  20.84 +/- 5.90   2.479% *  0.3072% (0.92   0.02   0.02) =   0.008%
          QB    PHE   55 - HN    ASN   69  17.86 +/- 3.09   1.670% *  0.3212% (0.97   0.02   0.02) =   0.006%
          HB2   PHE   59 - HN    ASN   69  14.29 +/- 1.89   1.968% *  0.2544% (0.76   0.02   0.02) =   0.006%
          HB3   CYS   53 - HN    ASN   69  19.62 +/- 3.28   1.018% *  0.3212% (0.97   0.02   0.02) =   0.004%
          HD3   PRO   93 - HN    ASN   69  21.76 +/- 1.48   0.504% *  0.3321% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.689, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.15 +/- 1.65  36.922% * 39.8620% (0.87   0.02   0.02) =  59.070%  kept
          HA    ALA   64 - HN    ASN   69   6.55 +/- 1.18  59.138% * 14.1837% (0.31   0.02   0.02) =  33.665%  kept
          HB3   ASN   35 - HN    ASN   69  17.39 +/- 2.66   3.939% * 45.9543% (1.00   0.02   0.02) =   7.266%  kept
    Distance limit 3.97 A violated in 15 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.155, support = 3.82, residual support = 26.9:
          HB    VAL   70 - HN    ASN   69   4.27 +/- 0.55  73.306% * 89.1777% (0.15   3.84  27.05) =  99.586%  kept
          QG    GLN   17 - HN    ASN   69   9.55 +/- 3.39  15.148% *  0.5956% (0.20   0.02   0.02) =   0.137%  kept
          HB2   LYS+  38 - HN    ASN   69  13.78 +/- 1.94   2.895% *  2.9830% (0.99   0.02   0.02) =   0.132%  kept
          HB3   GLU-  29 - HN    ASN   69  19.55 +/- 3.32   2.624% *  1.2373% (0.41   0.02   0.02) =   0.049%
          HG3   GLU-  29 - HN    ASN   69  20.91 +/- 3.17   1.317% *  2.4099% (0.80   0.02   0.02) =   0.048%
          QB    GLU-  36 - HN    ASN   69  15.37 +/- 2.22   2.136% *  0.5271% (0.18   0.02   0.02) =   0.017%
          HB2   GLU-  25 - HN    ASN   69  22.53 +/- 3.32   1.074% *  0.8368% (0.28   0.02   0.02) =   0.014%
          HB2   GLN   90 - HN    ASN   69  26.38 +/- 1.37   0.336% *  1.8254% (0.61   0.02   0.02) =   0.009%
          HB3   GLU-  79 - HN    ASN   69  19.66 +/- 3.34   1.164% *  0.4073% (0.14   0.02   0.02) =   0.007%
    Distance limit 4.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.95, support = 6.03, residual support = 31.2:
      O   HB3   PRO   68 - HN    ASN   69   4.13 +/- 0.63  36.160% * 95.4499% (0.99  10.0   6.03  31.17) =  95.229%  kept
          HG2   PRO   68 - HN    ASN   69   3.84 +/- 1.19  43.704% *  3.9296% (0.14   1.0   6.03  31.17) =   4.738%  kept
          HB2   GLN   17 - HN    ASN   69  11.04 +/- 3.19   3.593% *  0.0699% (0.73   1.0   0.02   0.02) =   0.007%
          QB    GLU-  15 - HN    ASN   69  11.53 +/- 2.55   2.906% *  0.0699% (0.73   1.0   0.02   0.02) =   0.006%
          HG3   GLN   30 - HN    ASN   69  14.88 +/- 3.08   2.323% *  0.0835% (0.87   1.0   0.02   0.02) =   0.005%
          HB2   GLN   30 - HN    ASN   69  14.35 +/- 2.78   3.035% *  0.0545% (0.57   1.0   0.02   0.02) =   0.005%
          HB    ILE  119 - HN    ASN   69  14.77 +/- 4.50   2.992% *  0.0545% (0.57   1.0   0.02   0.02) =   0.005%
          HB3   GLU- 100 - HN    ASN   69  16.31 +/- 2.72   0.970% *  0.0623% (0.65   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    ASN   69  21.62 +/- 3.79   0.359% *  0.0771% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASN   69  13.14 +/- 2.00   1.505% *  0.0169% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ASN   69  20.24 +/- 5.54   0.871% *  0.0268% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ASN   69  23.06 +/- 3.29   0.370% *  0.0507% (0.53   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ASN   69  17.32 +/- 3.02   0.745% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  20.65 +/- 3.34   0.467% *  0.0328% (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 = 0.374, support = 5.48, residual support = 31.1:
          HG3   PRO   68 - HN    ASN   69   3.71 +/- 0.61  72.735% * 92.7610% (0.38   5.49  31.17) =  99.754%  kept
          HB3   GLN   30 - HN    ASN   69  14.60 +/- 2.68   6.028% *  0.7206% (0.80   0.02   0.02) =   0.064%
          QB    LYS+  33 - HN    ASN   69  14.67 +/- 2.59   5.689% *  0.5458% (0.61   0.02   0.02) =   0.046%
          HB3   LYS+  38 - HN    ASN   69  12.92 +/- 2.00   2.898% *  0.8513% (0.95   0.02   0.02) =   0.036%
          HB3   ASP- 105 - HN    ASN   69  14.14 +/- 3.63   4.229% *  0.4380% (0.49   0.02   0.02) =   0.027%
          QB    LYS+ 106 - HN    ASN   69  15.62 +/- 3.00   2.194% *  0.7206% (0.80   0.02   0.02) =   0.023%
          HB    ILE   56 - HN    ASN   69  17.13 +/- 1.86   1.049% *  0.8979% (1.00   0.02   0.02) =   0.014%
          HB3   PRO   58 - HN    ASN   69  15.63 +/- 2.06   1.515% *  0.4034% (0.45   0.02   0.02) =   0.009%
          HB    ILE  103 - HN    ASN   69  17.39 +/- 3.05   1.276% *  0.3700% (0.41   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HN    ASN   69  20.19 +/- 5.07   1.103% *  0.4034% (0.45   0.02   0.02) =   0.007%
          QB    LYS+  81 - HN    ASN   69  22.25 +/- 2.88   0.645% *  0.6877% (0.76   0.02   0.02) =   0.007%
          HB2   MET   92 - HN    ASN   69  22.86 +/- 1.52   0.381% *  0.5821% (0.65   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    ASN   69  26.11 +/- 1.48   0.258% *  0.6181% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 4.34, residual support = 26.4:
          QG1   VAL   70 - HN    ASN   69   3.30 +/- 0.93  60.616% * 87.7353% (0.73   4.43  27.05) =  97.591%  kept
          QD1   LEU   71 - HN    ASN   69   7.49 +/- 1.43  11.235% * 10.6427% (0.49   0.80   0.02) =   2.194%  kept
          HB3   LEU   63 - HN    ASN   69   8.16 +/- 1.82  10.298% *  0.5267% (0.97   0.02   0.02) =   0.100%
          QG1   VAL   18 - HN    ASN   69   9.05 +/- 2.94   9.313% *  0.4559% (0.84   0.02   0.02) =   0.078%
          QD1   LEU  123 - HN    ASN   69  11.92 +/- 4.97   5.546% *  0.2657% (0.49   0.02   0.02) =   0.027%
          QG1   VAL  108 - HN    ASN   69  18.71 +/- 2.90   1.521% *  0.2657% (0.49   0.02   0.02) =   0.007%
          HB3   LEU  104 - HN    ASN   69  14.49 +/- 3.43   1.470% *  0.1080% (0.20   0.02   0.02) =   0.003%
    Distance limit 4.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.987, support = 3.93, residual support = 20.0:
          HD2   PRO   68 - HN    LEU   67   3.79 +/- 0.85  59.126% * 96.2057% (1.00   3.95  19.91) =  98.860%  kept
          HA    VAL   24 - HE3   TRP   27   5.86 +/- 0.33  20.936% *  2.8669% (0.04   2.74  26.96) =   1.043%  kept
          HA    ALA   61 - HN    LEU   67   7.37 +/- 0.62  10.081% *  0.4710% (0.97   0.02   0.02) =   0.083%
          HD3   PRO   58 - HN    LEU   67  13.51 +/- 1.84   1.782% *  0.1506% (0.31   0.02   0.02) =   0.005%
          HA    ALA   61 - HE3   TRP   27  12.00 +/- 1.80   3.468% *  0.0592% (0.12   0.02   0.02) =   0.004%
          HD2   PRO   68 - HE3   TRP   27  14.34 +/- 2.44   3.081% *  0.0612% (0.13   0.02   0.02) =   0.003%
          HA    VAL   24 - HN    LEU   67  17.35 +/- 2.56   0.844% *  0.1665% (0.34   0.02   0.02) =   0.002%
          HD3   PRO   58 - HE3   TRP   27  19.03 +/- 2.46   0.683% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.41, residual support = 19.9:
          HD3   PRO   68 - HN    LEU   67   3.65 +/- 0.90  79.430% * 97.4542% (0.76   4.41  19.91) =  99.936%  kept
          HB2   PHE   59 - HN    LEU   67  10.95 +/- 1.52   5.054% *  0.2378% (0.41   0.02   0.02) =   0.016%
          HD2   ARG+  54 - HN    LEU   67  17.56 +/- 5.01   2.110% *  0.5669% (0.98   0.02   0.02) =   0.015%
          HB3   CYS   53 - HN    LEU   67  16.06 +/- 3.16   1.802% *  0.5471% (0.95   0.02   0.02) =   0.013%
          QB    PHE   55 - HN    LEU   67  15.14 +/- 1.95   1.629% *  0.3973% (0.69   0.02   0.02) =   0.008%
          HD3   PRO   93 - HN    LEU   67  18.51 +/- 2.64   0.952% *  0.4631% (0.80   0.02   0.02) =   0.006%
          HD3   PRO   68 - HE3   TRP   27  14.57 +/- 2.44   2.641% *  0.0556% (0.10   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HE3   TRP   27  21.46 +/- 3.86   1.432% *  0.0713% (0.12   0.02   0.02) =   0.001%
          HB3   CYS   53 - HE3   TRP   27  18.03 +/- 2.82   1.456% *  0.0688% (0.12   0.02   0.02) =   0.001%
          HD3   PRO   93 - HE3   TRP   27  18.04 +/- 2.46   1.083% *  0.0582% (0.10   0.02   0.02) =   0.001%
          QB    PHE   55 - HE3   TRP   27  18.75 +/- 2.46   1.185% *  0.0499% (0.09   0.02   0.02) =   0.001%
          HB2   PHE   59 - HE3   TRP   27  16.98 +/- 2.31   1.225% *  0.0299% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.593, support = 2.73, residual support = 8.95:
          HA    ALA   64 - HN    LEU   67   3.44 +/- 0.54  71.392% * 23.5451% (0.65   1.18   3.95) =  55.732%  kept
          QE    LYS+  66 - HN    LEU   67   5.82 +/- 0.43  17.607% * 75.7848% (0.53   4.68  15.26) =  44.241%  kept
          HA    ALA   64 - HE3   TRP   27  10.22 +/- 1.92   7.810% *  0.0501% (0.08   0.02   0.02) =   0.013%
          HB3   ASN   35 - HN    LEU   67  19.67 +/- 2.24   0.551% *  0.5146% (0.84   0.02   0.02) =   0.009%
          HB3   ASN   35 - HE3   TRP   27  12.52 +/- 0.83   1.694% *  0.0647% (0.10   0.02   0.02) =   0.004%
          QE    LYS+  66 - HE3   TRP   27  16.15 +/- 1.88   0.946% *  0.0407% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.609, support = 5.05, residual support = 57.9:
      O   HB2   LEU   67 - HN    LEU   67   3.43 +/- 0.52  46.307% * 82.2917% (0.61  10.0   5.13  60.56) =  93.533%  kept
          HG2   PRO   68 - HN    LEU   67   5.64 +/- 0.89  15.306% * 17.1284% (0.65   1.0   3.90  19.91) =   6.435%  kept
          HB    VAL   18 - HN    LEU   67   7.37 +/- 3.79  11.262% *  0.0463% (0.34   1.0   0.02   0.02) =   0.013%
          HB    ILE   19 - HN    LEU   67  11.84 +/- 1.93   3.405% *  0.0768% (0.57   1.0   0.02   0.02) =   0.006%
          HB2   LEU  115 - HN    LEU   67  13.24 +/- 2.12   1.180% *  0.1283% (0.95   1.0   0.02   0.02) =   0.004%
          HG3   PRO   58 - HN    LEU   67  13.90 +/- 2.02   0.996% *  0.1309% (0.97   1.0   0.02   0.02) =   0.003%
          HB    ILE   19 - HE3   TRP   27   7.16 +/- 1.75   8.541% *  0.0097% (0.07   1.0   0.02   0.02) =   0.002%
          HB3   ARG+  54 - HN    LEU   67  16.31 +/- 5.12   2.351% *  0.0209% (0.15   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LEU   67  15.55 +/- 2.51   0.697% *  0.0660% (0.49   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HE3   TRP   27  15.88 +/- 3.09   2.045% *  0.0110% (0.08   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HE3   TRP   27   9.93 +/- 1.61   2.968% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  12.31 +/- 1.73   1.436% *  0.0103% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  17.40 +/- 2.32   0.474% *  0.0161% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  21.90 +/- 2.42   0.231% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.52 +/- 0.22   1.751% *  0.0034% (0.02   1.0   0.02   0.66) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.08 +/- 2.30   0.275% *  0.0165% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.84 +/- 2.18   0.342% *  0.0083% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  20.10 +/- 3.43   0.433% *  0.0026% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.10 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.93, support = 4.61, residual support = 14.1:
          QB    LYS+  66 - HN    LEU   67   2.93 +/- 0.46  57.826% * 74.6184% (0.95   4.86  15.26) =  91.893%  kept
          QB    LYS+  65 - HN    LEU   67   4.76 +/- 0.25  16.305% * 22.8432% (0.76   1.84   0.45) =   7.932%  kept
          HB    VAL   41 - HE3   TRP   27   7.55 +/- 2.77  10.077% *  0.6711% (0.10   0.41   0.02) =   0.144%  kept
          HB2   LEU   71 - HN    LEU   67  10.17 +/- 0.80   1.538% *  0.2358% (0.73   0.02   0.02) =   0.008%
          HB    VAL   41 - HN    LEU   67  12.64 +/- 1.86   0.901% *  0.2601% (0.80   0.02   0.02) =   0.005%
          HB3   GLN   17 - HN    LEU   67  10.06 +/- 2.78   2.027% *  0.0723% (0.22   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    LEU   67  17.51 +/- 2.81   0.408% *  0.3219% (0.99   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    LEU   67  13.91 +/- 4.69   1.062% *  0.1219% (0.38   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HN    LEU   67  18.09 +/- 2.05   0.320% *  0.2817% (0.87   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    LEU   67  16.52 +/- 2.16   0.406% *  0.2101% (0.65   0.02   0.02) =   0.002%
          HB2   LEU   71 - HE3   TRP   27  10.11 +/- 1.50   2.794% *  0.0296% (0.09   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU   67  19.16 +/- 2.99   0.345% *  0.1219% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HE3   TRP   27  14.50 +/- 3.28   0.993% *  0.0354% (0.11   0.02   0.02) =   0.001%
          HG12  ILE  103 - HE3   TRP   27  12.75 +/- 3.11   1.258% *  0.0264% (0.08   0.02   0.02) =   0.001%
          QB    LYS+  65 - HE3   TRP   27  12.45 +/- 1.85   1.008% *  0.0312% (0.10   0.02   0.02) =   0.001%
          QB    LYS+  66 - HE3   TRP   27  13.97 +/- 1.67   0.690% *  0.0386% (0.12   0.02   0.02) =   0.001%
          HG    LEU  123 - HE3   TRP   27  22.40 +/- 4.90   0.833% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  18.13 +/- 2.64   0.302% *  0.0405% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  13.14 +/- 1.02   0.723% *  0.0091% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  21.77 +/- 3.22   0.184% *  0.0153% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.58, support = 5.23, residual support = 54.7:
      O   HB3   LEU   67 - HN    LEU   67   3.14 +/- 0.63  26.842% * 36.9470% (0.25  10.0   4.52  60.56) =  45.030%  kept
          HG    LEU   67 - HN    LEU   67   3.69 +/- 0.85  20.570% * 44.7632% (1.00   1.0   6.06  60.56) =  41.807%  kept
          QG    LYS+  66 - HN    LEU   67   3.98 +/- 0.48  16.235% * 16.2977% (0.41   1.0   5.35  15.26) =  12.014%  kept
          HG    LEU   73 - HE3   TRP   27   4.41 +/- 3.03  22.414% *  1.0899% (0.08   1.0   1.93  21.30) =   1.109%  kept
          HG    LEU   40 - HN    LEU   67   9.80 +/- 1.55   2.867% *  0.1469% (0.99   1.0   0.02   0.02) =   0.019%
          HB3   LEU   40 - HN    LEU   67   9.82 +/- 1.53   2.512% *  0.0664% (0.45   1.0   0.02   0.02) =   0.008%
          HB3   LEU  115 - HN    LEU   67  12.74 +/- 1.92   0.471% *  0.1469% (0.99   1.0   0.02   0.02) =   0.003%
          QB    ALA  120 - HN    LEU   67  13.02 +/- 3.61   0.477% *  0.1018% (0.69   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    LEU   67  12.51 +/- 1.25   0.497% *  0.0899% (0.61   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    LEU   67   7.47 +/- 0.67   1.887% *  0.0229% (0.15   1.0   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LEU   67  13.51 +/- 1.91   0.365% *  0.1018% (0.69   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HE3   TRP   27  10.80 +/- 1.15   0.860% *  0.0185% (0.12   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   67  20.85 +/- 2.03   0.095% *  0.1076% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  12.58 +/- 1.70   0.430% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  11.64 +/- 1.26   0.633% *  0.0084% (0.06   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  19.36 +/- 3.34   0.407% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  16.94 +/- 2.27   0.243% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  16.87 +/- 4.01   0.265% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  17.55 +/- 2.48   0.256% *  0.0128% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  14.76 +/- 1.60   0.359% *  0.0077% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  11.97 +/- 1.94   0.547% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  11.33 +/- 1.72   0.768% *  0.0029% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.309, support = 4.19, residual support = 59.6:
          QD1   LEU   67 - HN    LEU   67   3.42 +/- 0.86  45.151% * 88.6686% (0.31   4.25  60.56) =  98.389%  kept
          HG3   LYS+  74 - HE3   TRP   27   9.45 +/- 2.17   7.728% *  3.8532% (0.07   0.86   0.02) =   0.732%  kept
          QG2   ILE  119 - HN    LEU   67   9.34 +/- 3.56  10.577% *  1.3047% (0.97   0.02   0.02) =   0.339%  kept
          QD2   LEU   71 - HE3   TRP   27   8.66 +/- 1.59   5.512% *  1.3736% (0.12   0.17   0.02) =   0.186%  kept
          QD2   LEU   71 - HN    LEU   67   8.37 +/- 1.26   5.337% *  1.3047% (0.97   0.02   0.02) =   0.171%  kept
          QD2   LEU   40 - HN    LEU   67   9.38 +/- 1.54   5.463% *  0.3759% (0.28   0.02   0.02) =   0.050%
          HG3   LYS+  74 - HN    LEU   67  10.83 +/- 2.55   2.558% *  0.7113% (0.53   0.02   0.02) =   0.045%
          QD1   ILE  103 - HN    LEU   67  14.83 +/- 2.10   1.022% *  1.3490% (1.00   0.02   0.02) =   0.034%
          QD1   ILE  103 - HE3   TRP   27  10.95 +/- 3.34   4.203% *  0.1696% (0.13   0.02   0.02) =   0.018%
          QG2   ILE  103 - HN    LEU   67  14.36 +/- 1.92   1.062% *  0.5558% (0.41   0.02   0.02) =   0.015%
          QG2   ILE  119 - HE3   TRP   27  15.93 +/- 3.54   2.549% *  0.1640% (0.12   0.02   0.02) =   0.010%
          QD1   LEU   67 - HE3   TRP   27   9.40 +/- 1.64   3.794% *  0.0525% (0.04   0.02   0.02) =   0.005%
          QD2   LEU   40 - HE3   TRP   27   9.71 +/- 1.40   3.330% *  0.0473% (0.03   0.02   0.02) =   0.004%
          QG2   ILE  103 - HE3   TRP   27  12.25 +/- 2.15   1.716% *  0.0699% (0.05   0.02   0.02) =   0.003%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 6.03, residual support = 30.9:
      O   HA    LYS+  65 - HN    LYS+  66   3.55 +/- 0.08  75.307% * 98.9277% (0.61  10.0   6.04  30.87) =  99.953%  kept
          QB    SER   48 - HN    LYS+  66  15.93 +/- 4.73   9.447% *  0.1617% (0.99   1.0   0.02   0.02) =   0.020%
          HA2   GLY   51 - HN    LYS+  66  17.88 +/- 5.37   4.979% *  0.1362% (0.84   1.0   0.02   0.02) =   0.009%
          HA    ALA  120 - HN    LYS+  66  14.10 +/- 3.77   2.166% *  0.1574% (0.97   1.0   0.02   0.02) =   0.005%
          HA2   GLY   16 - HN    LYS+  66  11.80 +/- 3.29   2.972% *  0.1120% (0.69   1.0   0.02   0.02) =   0.004%
          HA    LYS+ 121 - HN    LYS+  66  15.76 +/- 3.56   1.661% *  0.1463% (0.90   1.0   0.02   0.02) =   0.003%
          QB    SER  117 - HN    LYS+  66  14.52 +/- 2.36   2.111% *  0.0923% (0.57   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    LYS+  66  16.24 +/- 2.96   1.045% *  0.1543% (0.95   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    LYS+  66  22.62 +/- 1.92   0.310% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.57, residual support = 7.44:
          HA    LEU   63 - HN    LYS+  66   3.63 +/- 0.52  97.818% * 99.1157% (0.99   2.57   7.44) =  99.989%  kept
          HB2   HIS   22 - HN    LYS+  66  18.24 +/- 2.55   1.600% *  0.5351% (0.69   0.02   0.02) =   0.009%
          HA2   GLY  101 - HN    LYS+  66  21.33 +/- 1.75   0.582% *  0.3492% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 0 structures by 0.05 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.84, residual support = 25.9:
          HA    ALA   64 - HN    LYS+  66   4.15 +/- 0.51  56.913% * 77.3028% (0.95   4.69   9.29) =  84.626%  kept
          QE    LYS+  66 - HN    LYS+  66   5.04 +/- 0.57  36.130% * 22.0313% (0.22   5.68 118.00) =  15.311%  kept
          HB2   PHE   72 - HN    LYS+  66   9.30 +/- 1.40   6.418% *  0.4964% (0.22   0.13   0.61) =   0.061%
          HB3   ASN   35 - HN    LYS+  66  21.18 +/- 2.16   0.539% *  0.1695% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.713, support = 5.44, residual support = 101.2:
      O   QB    LYS+  66 - HN    LYS+  66   2.30 +/- 0.14  64.162% * 68.1337% (0.65  10.0   5.30 118.00) =  80.663%  kept
          QB    LYS+  65 - HN    LYS+  66   3.00 +/- 0.40  33.339% * 31.4284% (0.99   1.0   6.02  30.87) =  19.334%  kept
          HB3   GLN   17 - HN    LYS+  66  10.11 +/- 2.77   1.100% *  0.0554% (0.53   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LYS+  66  11.58 +/- 0.98   0.545% *  0.1032% (0.98   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  66  17.02 +/- 3.37   0.227% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  14.14 +/- 1.70   0.328% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  19.46 +/- 2.00   0.129% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  17.80 +/- 2.29   0.170% *  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 = 0.643, support = 4.1, residual support = 47.4:
          HG    LEU   67 - HN    LYS+  66   5.27 +/- 1.31  29.999% * 78.4916% (0.87   3.68  15.26) =  68.553%  kept
          QG    LYS+  66 - HN    LYS+  66   3.31 +/- 0.71  56.630% * 18.9983% (0.15   5.01 118.00) =  31.323%  kept
          HG    LEU  115 - HN    LYS+  66  13.13 +/- 1.93   1.773% *  0.4740% (0.97   0.02   0.02) =   0.024%
          QB    ALA  120 - HN    LYS+  66  12.88 +/- 3.00   1.746% *  0.4740% (0.97   0.02   0.02) =   0.024%
          HB3   LEU   40 - HN    LYS+  66  11.66 +/- 1.51   1.886% *  0.3933% (0.80   0.02   0.02) =   0.022%
          HB3   LEU  115 - HN    LYS+  66  12.48 +/- 1.86   1.831% *  0.3754% (0.76   0.02   0.02) =   0.020%
          HG    LEU   40 - HN    LYS+  66  11.50 +/- 1.54   1.790% *  0.3754% (0.76   0.02   0.02) =   0.020%
          HB2   LYS+  74 - HN    LYS+  66  10.45 +/- 2.00   3.025% *  0.0972% (0.20   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    LYS+  66  12.94 +/- 1.12   1.097% *  0.1366% (0.28   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    LYS+  66  22.39 +/- 2.04   0.223% *  0.1843% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.09 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.05, residual support = 9.29:
          QB    ALA   64 - HN    LYS+  66   4.51 +/- 0.29 100.000% *100.0000% (0.95   4.05   9.29) = 100.000%  kept
    Distance limit 4.59 A violated in 0 structures by 0.08 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 157.7:
      O   HA    LYS+  65 - HN    LYS+  65   2.81 +/- 0.06  89.113% * 99.3218% (0.64  10.0   6.08 157.75) =  99.991%  kept
          QB    SER   48 - HN    LYS+  65  14.71 +/- 4.18   2.594% *  0.0822% (0.53   1.0   0.02   0.02) =   0.002%
          HA2   GLY   16 - HN    LYS+  65  11.99 +/- 3.59   2.022% *  0.1038% (0.67   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  65  14.75 +/- 2.57   0.797% *  0.1018% (0.65   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LYS+  65  14.90 +/- 3.44   1.059% *  0.0696% (0.45   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    LYS+  65  16.92 +/- 4.39   1.351% *  0.0524% (0.34   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  65  16.36 +/- 2.45   0.642% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  16.51 +/- 3.15   0.712% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.60 +/- 1.67   0.968% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  21.32 +/- 2.44   0.232% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  19.90 +/- 1.93   0.297% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  22.73 +/- 3.39   0.214% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.649, support = 4.89, residual support = 29.2:
      O   HA    ALA   64 - HN    LYS+  65   3.56 +/- 0.05  76.945% * 94.4783% (0.65  10.0   4.90  29.18) =  99.121%  kept
          QE    LYS+  66 - HN    LYS+  65   6.99 +/- 0.89  11.990% *  4.6393% (0.15   1.0   4.17  30.87) =   0.758%  kept
          HB2   PHE   72 - HN    LYS+  65   7.95 +/- 1.34  10.619% *  0.8338% (0.15   1.0   0.75   0.02) =   0.121%  kept
          HB3   ASN   35 - HN    LYS+  65  20.70 +/- 1.99   0.446% *  0.0486% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 6.59, residual support = 153.5:
      O   QB    LYS+  65 - HN    LYS+  65   2.16 +/- 0.15  85.382% * 77.5604% (0.53  10.0   6.66 157.75) =  96.671%  kept
          QB    LYS+  66 - HN    LYS+  65   4.47 +/- 0.23  10.390% * 21.9316% (0.65   1.0   4.57  30.87) =   3.326%  kept
          HB2   LEU   71 - HN    LYS+  65  11.41 +/- 1.17   0.684% *  0.0737% (0.50   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LYS+  65   9.74 +/- 3.08   1.720% *  0.0226% (0.15   1.0   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LYS+  65  13.52 +/- 1.86   0.459% *  0.0813% (0.55   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LYS+  65  15.83 +/- 3.42   0.351% *  0.1006% (0.68   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LYS+  65  17.18 +/- 2.85   0.243% *  0.0657% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  14.41 +/- 2.87   0.408% *  0.0381% (0.26   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.17 +/- 2.31   0.150% *  0.0880% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  17.17 +/- 2.60   0.212% *  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 = 0.198, support = 4.27, residual support = 114.3:
          HG2   LYS+  65 - HN    LYS+  65   3.85 +/- 0.55  53.930% * 50.2467% (0.14   5.23 157.75) =  72.373%  kept
          HG    LEU   67 - HN    LYS+  65   6.28 +/- 1.55  22.561% * 45.2874% (0.36   1.77   0.45) =  27.288%  kept
          HB2   LYS+  74 - HN    LYS+  65   8.81 +/- 2.02   8.155% *  0.4723% (0.34   0.02   0.02) =   0.103%  kept
          HB3   LEU   40 - HN    LYS+  65  11.90 +/- 1.46   2.379% *  0.9682% (0.69   0.02   0.02) =   0.062%
          HG    LEU  115 - HN    LYS+  65  12.47 +/- 1.74   2.172% *  0.9179% (0.65   0.02   0.02) =   0.053%
          QB    ALA  120 - HN    LYS+  65  13.38 +/- 1.98   1.825% *  0.9179% (0.65   0.02   0.02) =   0.045%
          HG    LEU   40 - HN    LYS+  65  11.47 +/- 1.60   2.880% *  0.3989% (0.28   0.02   0.02) =   0.031%
          HB3   LEU  115 - HN    LYS+  65  11.88 +/- 1.53   2.375% *  0.3989% (0.28   0.02   0.02) =   0.025%
          QG2   THR   26 - HN    LYS+  65  13.29 +/- 1.66   2.049% *  0.2420% (0.17   0.02   0.02) =   0.013%
          HD2   LYS+ 121 - HN    LYS+  65  15.08 +/- 2.41   1.675% *  0.1497% (0.11   0.02   0.02) =   0.007%
    Distance limit 3.84 A violated in 0 structures by 0.13 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.296, support = 4.05, residual support = 99.1:
          HG3   LYS+  65 - HN    LYS+  65   3.74 +/- 0.77  44.526% * 43.3904% (0.17   5.25 157.75) =  62.071%  kept
          HB2   LEU   63 - HN    LYS+  65   5.06 +/- 0.44  22.856% * 51.0399% (0.50   2.12   3.06) =  37.480%  kept
          HB3   ASP-  44 - HN    LYS+  65   8.72 +/- 3.54  14.379% *  0.5538% (0.58   0.02   0.02) =   0.256%  kept
          HB3   PRO   93 - HN    LYS+  65  13.68 +/- 3.23   1.889% *  0.6571% (0.68   0.02   0.02) =   0.040%
          HB    VAL   42 - HN    LYS+  65   9.70 +/- 1.64   4.346% *  0.1653% (0.17   0.02   0.02) =   0.023%
          HG    LEU   98 - HN    LYS+  65  16.47 +/- 2.76   1.067% *  0.6571% (0.68   0.02   0.02) =   0.023%
          HB3   LEU   73 - HN    LYS+  65  10.48 +/- 1.40   3.073% *  0.2046% (0.21   0.02   0.02) =   0.020%
          QB    ALA  124 - HN    LYS+  65  15.72 +/- 3.01   0.928% *  0.6272% (0.65   0.02   0.02) =   0.019%
          HB2   LYS+ 112 - HN    LYS+  65  14.09 +/- 2.70   2.067% *  0.2726% (0.28   0.02   0.02) =   0.018%
          QB    ALA   84 - HN    LYS+  65  16.52 +/- 2.63   0.831% *  0.6615% (0.69   0.02   0.02) =   0.018%
          HB3   LEU   80 - HN    LYS+  65  16.77 +/- 2.52   0.683% *  0.4021% (0.42   0.02   0.02) =   0.009%
          HG3   LYS+ 106 - HN    LYS+  65  17.36 +/- 1.88   0.574% *  0.3488% (0.36   0.02   0.02) =   0.006%
          HB2   LEU   31 - HN    LYS+  65  17.36 +/- 2.11   0.650% *  0.2972% (0.31   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HN    LYS+  65  19.16 +/- 2.65   0.565% *  0.2488% (0.26   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HN    LYS+  65  16.77 +/- 1.92   0.767% *  0.1312% (0.14   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    LYS+  65  22.22 +/- 2.47   0.302% *  0.2262% (0.24   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HN    LYS+  65  17.97 +/- 2.13   0.497% *  0.1161% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.86, residual support = 29.2:
          QB    ALA   64 - HN    LYS+  65   2.85 +/- 0.21 100.000% *100.0000% (0.65   4.86  29.18) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.746, residual support = 6.22:
          HA    ALA   61 - HN    ALA   64   3.65 +/- 0.30  77.759% * 95.1123% (0.95   0.75   6.25) =  99.441%  kept
          HD2   PRO   68 - HN    ALA   64   7.41 +/- 1.41  14.497% *  2.1470% (0.80   0.02   0.02) =   0.418%  kept
          HD3   PRO   58 - HN    ALA   64  10.58 +/- 0.96   3.599% *  1.7345% (0.65   0.02   0.02) =   0.084%
          HA    VAL   75 - HN    ALA   64  10.25 +/- 1.19   4.146% *  1.0063% (0.38   0.02   0.02) =   0.056%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.21, residual support = 20.6:
      O   HA    ALA   64 - HN    ALA   64   2.79 +/- 0.08  80.324% * 99.0515% (0.95  10.0   4.21  20.58) =  99.830%  kept
          HB2   PHE   72 - HN    ALA   64   6.43 +/- 1.52  15.413% *  0.8742% (0.22   1.0   0.75  46.61) =   0.169%  kept
          QE    LYS+  66 - HN    ALA   64   8.02 +/- 0.94   4.021% *  0.0233% (0.22   1.0   0.02   9.29) =   0.001%
          HB3   ASN   35 - HN    ALA   64  19.75 +/- 1.75   0.242% *  0.0510% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.01, residual support = 27.3:
          QB    LYS+  65 - HN    ALA   64   4.37 +/- 0.27  52.180% * 83.5678% (0.92   5.27  29.18) =  90.432%  kept
          QB    LYS+  66 - HN    ALA   64   5.33 +/- 0.42  30.239% * 15.1278% (0.34   2.58   9.29) =   9.487%  kept
          HB2   LEU   71 - HN    ALA   64  10.28 +/- 1.14   4.783% *  0.3252% (0.95   0.02   0.02) =   0.032%
          HB3   GLN   17 - HN    ALA   64  10.73 +/- 2.41   4.478% *  0.2872% (0.84   0.02   1.03) =   0.027%
          HG2   PRO   93 - HN    ALA   64  14.64 +/- 2.84   2.130% *  0.2085% (0.61   0.02   0.02) =   0.009%
          QB    LYS+ 102 - HN    ALA   64  17.62 +/- 2.21   1.002% *  0.2872% (0.84   0.02   0.02) =   0.006%
          HB    VAL   41 - HN    ALA   64  12.03 +/- 1.85   3.164% *  0.0680% (0.20   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HN    ALA   64  15.92 +/- 2.04   1.451% *  0.0680% (0.20   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    ALA   64  20.02 +/- 1.58   0.574% *  0.0602% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.704, support = 7.42, residual support = 53.3:
          HB2   LEU   63 - HN    ALA   64   3.21 +/- 0.52  53.086% * 82.6152% (0.73   7.59  54.44) =  95.502%  kept
          HG3   LYS+  65 - HN    ALA   64   6.06 +/- 1.00  13.465% * 14.8666% (0.25   3.98  29.18) =   4.359%  kept
          HB3   ASP-  44 - HN    ALA   64   7.02 +/- 2.98  15.352% *  0.2504% (0.84   0.02   0.02) =   0.084%
          HG    LEU   98 - HN    ALA   64  14.70 +/- 2.61   1.653% *  0.2971% (0.99   0.02   0.02) =   0.011%
          HB    VAL   42 - HN    ALA   64   7.92 +/- 1.55   6.216% *  0.0747% (0.25   0.02   0.02) =   0.010%
          HB3   PRO   93 - HN    ALA   64  12.47 +/- 2.61   1.340% *  0.2971% (0.99   0.02   0.02) =   0.009%
          HB2   LYS+ 112 - HN    ALA   64  12.94 +/- 2.32   1.809% *  0.1232% (0.41   0.02   0.02) =   0.005%
          HB3   LEU   73 - HN    ALA   64   9.66 +/- 1.22   2.355% *  0.0925% (0.31   0.02   3.40) =   0.005%
          QB    ALA   84 - HN    ALA   64  15.54 +/- 1.88   0.612% *  0.2991% (1.00   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    ALA   64  15.44 +/- 2.69   0.619% *  0.2836% (0.95   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    ALA   64  15.81 +/- 1.98   0.580% *  0.1818% (0.61   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ALA   64  15.44 +/- 1.52   0.594% *  0.1577% (0.53   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    ALA   64  16.20 +/- 2.09   0.480% *  0.1344% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ALA   64  17.95 +/- 2.13   0.430% *  0.1125% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ALA   64  16.50 +/- 2.08   0.640% *  0.0525% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    ALA   64  20.49 +/- 2.34   0.292% *  0.1022% (0.34   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    ALA   64  16.18 +/- 1.60   0.479% *  0.0593% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 6.67, residual support = 54.2:
          HG    LEU   63 - HN    ALA   64   4.01 +/- 1.09  59.875% * 97.8193% (0.53   6.71  54.44) =  99.533%  kept
          QD1   ILE  119 - HN    ALA   64   7.40 +/- 2.12  23.753% *  0.8756% (0.20   0.16   0.02) =   0.353%  kept
          HG3   LYS+ 112 - HN    ALA   64  12.50 +/- 2.54   9.699% *  0.5119% (0.92   0.02   0.02) =   0.084%
          QG2   VAL   24 - HN    ALA   64  14.38 +/- 2.22   2.979% *  0.2081% (0.38   0.02   0.02) =   0.011%
          QG2   VAL  108 - HN    ALA   64  14.43 +/- 1.35   1.808% *  0.3364% (0.61   0.02   0.02) =   0.010%
          HB2   LEU  104 - HN    ALA   64  14.46 +/- 1.94   1.886% *  0.2486% (0.45   0.02   0.02) =   0.008%
    Distance limit 4.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.68, residual support = 54.4:
          HB3   LEU   63 - HN    ALA   64   3.29 +/- 0.75  49.852% * 99.3281% (0.97   6.69  54.44) =  99.862%  kept
          QG1   VAL   18 - HN    ALA   64   5.60 +/- 2.73  20.285% *  0.1619% (0.53   0.02   9.19) =   0.066%
          QG1   VAL   70 - HN    ALA   64   5.30 +/- 1.51  24.327% *  0.1265% (0.41   0.02   0.02) =   0.062%
          QD1   LEU  123 - HN    ALA   64  10.73 +/- 2.16   2.464% *  0.0685% (0.22   0.02   0.02) =   0.003%
          QD1   LEU   71 - HN    ALA   64   9.99 +/- 1.32   2.433% *  0.0685% (0.22   0.02   0.02) =   0.003%
          QG1   VAL  108 - HN    ALA   64  15.84 +/- 1.60   0.640% *  0.2464% (0.80   0.02   0.02) =   0.003%
    Distance limit 4.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.859, support = 6.12, residual support = 54.4:
          QD2   LEU   63 - HN    ALA   64   3.62 +/- 0.86  47.005% * 60.3081% (1.00   5.84  54.44) =  67.498%  kept
          QD1   LEU   63 - HN    ALA   64   4.13 +/- 0.58  34.797% * 39.1826% (0.57   6.70  54.44) =  32.464%  kept
          QD1   LEU   73 - HN    ALA   64   9.05 +/- 1.35   6.004% *  0.1169% (0.57   0.02   3.40) =   0.017%
          QG2   VAL   41 - HN    ALA   64  10.42 +/- 1.28   2.495% *  0.1252% (0.61   0.02   0.02) =   0.007%
          QD2   LEU  115 - HN    ALA   64   8.48 +/- 0.84   4.891% *  0.0515% (0.25   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    ALA   64  11.87 +/- 2.23   1.712% *  0.0849% (0.41   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ALA   64  13.08 +/- 2.35   1.663% *  0.0849% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   64  12.83 +/- 1.56   1.433% *  0.0460% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.21, residual support = 20.6:
      O   QB    ALA   64 - HN    ALA   64   2.05 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.21  20.58) = 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 = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.57 +/- 0.05  95.675% * 99.8321% (0.97  10.0   5.24  42.39) =  99.998%  kept
          HA    SER  117 - HN    LEU   63  12.54 +/- 1.97   2.825% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HB    THR   26 - HN    LEU   63  18.19 +/- 2.41   1.131% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   82 - HN    LEU   63  23.10 +/- 1.78   0.369% *  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 = 0.689, support = 1.48, residual support = 10.1:
          HA    PHE   60 - HN    LEU   63   3.53 +/- 0.46  84.116% * 74.4749% (0.69   1.50  10.22) =  98.766%  kept
          QB    SER  117 - HN    LEU   63  11.84 +/- 1.74   3.222% * 20.9083% (0.99   0.29   0.02) =   1.062%  kept
          QB    SER   48 - HN    LEU   63  14.61 +/- 3.26   3.212% *  0.8184% (0.57   0.02   0.02) =   0.041%
          HA2   GLY   51 - HN    LEU   63  15.36 +/- 3.72   1.999% *  1.2075% (0.84   0.02   0.02) =   0.038%
          HA    LYS+ 121 - HN    LEU   63  13.84 +/- 2.08   1.872% *  1.1048% (0.76   0.02   0.02) =   0.033%
          HB    THR   94 - HN    LEU   63  13.68 +/- 2.79   2.054% *  0.9930% (0.69   0.02   0.02) =   0.032%
          HA    ALA  120 - HN    LEU   63  12.01 +/- 2.25   3.524% *  0.4931% (0.34   0.02   0.02) =   0.027%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.53, residual support = 240.6:
      O   HA    LEU   63 - HN    LEU   63   2.79 +/- 0.06  96.679% * 99.8508% (0.76  10.0   7.53 240.61) =  99.998%  kept
          HB2   HIS   22 - HN    LEU   63  18.01 +/- 3.89   3.053% *  0.0446% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY  101 - HN    LEU   63  21.01 +/- 2.24   0.268% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 42.4:
          HB2   ASP-  62 - HN    LEU   63   3.42 +/- 0.50  96.149% * 99.7489% (0.98   5.24  42.39) =  99.995%  kept
          HB2   PRO   52 - HN    LEU   63  14.68 +/- 2.15   1.742% *  0.1742% (0.45   0.02   0.02) =   0.003%
          QB    ASP- 113 - HN    LEU   63  13.08 +/- 1.36   2.109% *  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 = 5.24, residual support = 42.4:
          HB3   ASP-  62 - HN    LEU   63   3.00 +/- 0.38  97.833% * 98.9508% (0.95   5.24  42.39) =  99.993%  kept
          HG3   MET   96 - HN    LEU   63  14.60 +/- 2.13   1.235% *  0.3688% (0.92   0.02   0.38) =   0.005%
          HB3   ASP-  86 - HN    LEU   63  20.93 +/- 2.12   0.360% *  0.2262% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HN    LEU   63  23.83 +/- 2.22   0.235% *  0.2901% (0.73   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    LEU   63  21.88 +/- 2.43   0.338% *  0.1642% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 8.05, residual support = 240.6:
      O   HB2   LEU   63 - HN    LEU   63   2.16 +/- 0.19  86.146% * 98.8228% (0.73  10.0   8.05 240.61) =  99.988%  kept
          HB3   ASP-  44 - HN    LEU   63   8.09 +/- 3.16   3.702% *  0.1137% (0.84   1.0   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HN    LEU   63   6.57 +/- 0.93   3.915% *  0.0339% (0.25   1.0   0.02   3.06) =   0.002%
          HB3   PRO   93 - HN    LEU   63  11.94 +/- 3.07   0.864% *  0.1349% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   63  11.39 +/- 2.36   1.049% *  0.0559% (0.41   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   63  14.27 +/- 2.14   0.404% *  0.1287% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   63  16.06 +/- 2.65   0.370% *  0.1349% (0.99   1.0   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LEU   63   9.56 +/- 1.56   1.314% *  0.0339% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   63  11.95 +/- 1.34   0.683% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  16.47 +/- 2.02   0.209% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.77 +/- 1.73   0.240% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  17.49 +/- 1.93   0.177% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  18.30 +/- 2.33   0.215% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.70 +/- 2.10   0.224% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.67 +/- 2.43   0.220% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.60 +/- 2.50   0.099% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  18.53 +/- 1.81   0.169% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 7.56, residual support = 240.5:
          HG    LEU   63 - HN    LEU   63   3.34 +/- 0.65  79.291% * 99.5035% (1.00   7.56 240.61) =  99.956%  kept
          HG3   LYS+ 112 - HN    LEU   63  11.22 +/- 2.86  15.046% *  0.1916% (0.73   0.02   0.02) =   0.037%
          QG2   VAL   24 - HN    LEU   63  15.93 +/- 2.62   1.427% *  0.2586% (0.98   0.02   0.02) =   0.005%
          QG1   VAL  107 - HN    LEU   63  10.45 +/- 1.38   4.236% *  0.0462% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.37 A violated in 0 structures by 0.24 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.59, residual support = 240.6:
      O   HB3   LEU   63 - HN    LEU   63   3.30 +/- 0.23  66.475% * 99.7743% (0.97  10.0   7.59 240.61) =  99.979%  kept
          QG1   VAL   70 - HN    LEU   63   6.35 +/- 1.52  14.373% *  0.0425% (0.41   1.0   0.02   0.02) =   0.009%
          QG1   VAL   18 - HN    LEU   63   7.46 +/- 2.13   9.904% *  0.0544% (0.53   1.0   0.02   0.02) =   0.008%
          QD1   LEU  123 - HN    LEU   63   9.13 +/- 2.05   5.182% *  0.0230% (0.22   1.0   0.02   0.02) =   0.002%
          QD1   LEU   71 - HN    LEU   63  11.42 +/- 2.01   3.358% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    LEU   63  15.46 +/- 1.76   0.710% *  0.0828% (0.80   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 = 0.869, support = 6.91, residual support = 240.5:
          QD1   LEU   63 - HN    LEU   63   3.45 +/- 0.63  49.042% * 47.5078% (0.90   6.41 240.61) =  55.329%  kept
          QD2   LEU   63 - HN    LEU   63   3.96 +/- 0.45  36.139% * 52.0157% (0.84   7.54 240.61) =  44.642%  kept
          QD2   LEU  115 - HN    LEU   63   7.12 +/- 0.76   7.645% *  0.0935% (0.57   0.02   0.02) =   0.017%
          QD1   LEU   73 - HN    LEU   63  10.93 +/- 1.49   1.817% *  0.1482% (0.90   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    LEU   63  14.48 +/- 1.49   0.808% *  0.0869% (0.53   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    LEU   63  12.21 +/- 1.19   1.296% *  0.0459% (0.28   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   63  13.58 +/- 2.28   1.022% *  0.0510% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    LEU   63  13.19 +/- 2.20   1.290% *  0.0255% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   63  14.66 +/- 2.29   0.939% *  0.0255% (0.15   0.02   0.02) =   0.001%
    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   2.80 +/- 0.55  97.655% * 99.9341% (0.84  10.0   3.83  41.01) =  99.999%  kept
          HB2   PRO   52 - HN    ASP-  62  14.25 +/- 1.28   0.956% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  12.86 +/- 1.11   1.389% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.08 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   2.48 +/- 0.40  98.132% * 99.7231% (0.82  10.0   3.83  41.01) =  99.998%  kept
          HG3   MET   96 - HN    ASP-  62  15.82 +/- 3.36   1.383% *  0.0973% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    ASP-  62  21.88 +/- 2.87   0.225% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  25.30 +/- 2.46   0.110% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  22.87 +/- 2.38   0.150% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.338, support = 0.834, residual support = 0.788:
          QB    LYS+  66 - HN    ASP-  62   6.23 +/- 1.43  37.399% * 70.3168% (0.32   0.88   0.83) =  94.447%  kept
          HG    LEU  123 - HN    ASP-  62  12.44 +/- 1.79   6.544% *  4.0201% (0.82   0.02   0.02) =   0.945%  kept
          HG3   PRO   68 - HN    ASP-  62  11.53 +/- 1.99   8.411% *  2.7492% (0.56   0.02   0.02) =   0.830%  kept
          HG12  ILE  103 - HN    ASP-  62  17.74 +/- 3.92   6.608% *  3.0860% (0.63   0.02   0.02) =   0.732%  kept
          HG2   ARG+  54 - HN    ASP-  62  11.71 +/- 2.45   8.396% *  2.4060% (0.49   0.02   0.02) =   0.725%  kept
          HB3   PRO   52 - HN    ASP-  62  14.30 +/- 1.82   4.467% *  4.0201% (0.82   0.02   0.02) =   0.645%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.92 +/- 2.96   6.479% *  2.2359% (0.45   0.02   0.02) =   0.520%  kept
          HB    VAL   41 - HN    ASP-  62  15.63 +/- 2.04   3.436% *  2.4060% (0.49   0.02   0.02) =   0.297%  kept
          HB    ILE  103 - HN    ASP-  62  19.56 +/- 3.47   2.857% *  2.5776% (0.52   0.02   0.02) =   0.264%  kept
          QB    LYS+ 106 - HN    ASP-  62  14.98 +/- 2.36   4.685% *  1.0597% (0.21   0.02   0.02) =   0.178%  kept
          HG2   PRO   93 - HN    ASP-  62  13.91 +/- 3.51   6.036% *  0.7443% (0.15   0.02   0.02) =   0.161%  kept
          QB    LYS+  33 - HN    ASP-  62  19.09 +/- 2.22   2.119% *  1.7471% (0.35   0.02   0.02) =   0.133%  kept
          HB3   GLN   90 - HN    ASP-  62  21.90 +/- 3.24   1.259% *  1.4496% (0.29   0.02   0.02) =   0.066%
          QB    LYS+  81 - HN    ASP-  62  20.14 +/- 1.82   1.304% *  1.1816% (0.24   0.02   0.02) =   0.055%
    Distance limit 4.41 A violated in 10 structures by 1.50 A, kept.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.791, support = 2.75, residual support = 8.1:
          QB    ALA   61 - HN    ASP-  62   2.69 +/- 0.23  82.197% * 77.3726% (0.80   2.79   8.23) =  98.242%  kept
          QG    LYS+  66 - HN    ASP-  62   7.06 +/- 1.53   7.239% * 13.6746% (0.52   0.75   0.83) =   1.529%  kept
          HB3   LEU   67 - HN    ASP-  62   9.53 +/- 1.71   2.196% *  5.5512% (0.69   0.23   0.02) =   0.188%  kept
          HG12  ILE   19 - HN    ASP-  62  13.74 +/- 1.63   0.820% *  0.5959% (0.85   0.02   0.02) =   0.008%
          QB    ALA  110 - HN    ASP-  62  14.56 +/- 2.01   0.670% *  0.6012% (0.86   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    ASP-  62  11.21 +/- 1.91   1.367% *  0.2926% (0.42   0.02   0.02) =   0.006%
          QB    LEU   98 - HN    ASP-  62  15.16 +/- 3.19   2.390% *  0.1499% (0.21   0.02   0.02) =   0.006%
          HG    LEU   73 - HN    ASP-  62  13.14 +/- 2.20   1.356% *  0.2472% (0.35   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    ASP-  62  14.21 +/- 2.29   0.851% *  0.3163% (0.45   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ASP-  62  17.79 +/- 2.16   0.333% *  0.5999% (0.86   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  18.01 +/- 2.00   0.316% *  0.4130% (0.59   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ASP-  62  23.04 +/- 3.80   0.265% *  0.1856% (0.27   0.02   0.02) =   0.001%
    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 = 0.847, support = 2.29, residual support = 5.08:
          QB    LYS+  65 - HN    LEU   63   4.69 +/- 0.42  42.721% * 47.8802% (0.76   2.54   3.06) =  53.291%  kept
          QB    LYS+  66 - HN    LEU   63   5.00 +/- 0.80  37.489% * 47.4562% (0.95   2.03   7.44) =  46.351%  kept
          HB2   LEU   71 - HN    LEU   63  12.19 +/- 1.67   3.631% *  2.5486% (0.73   0.14   0.02) =   0.241%  kept
          HG2   PRO   93 - HN    LEU   63  13.96 +/- 3.37   2.678% *  0.4899% (0.99   0.02   0.02) =   0.034%
          HB    VAL   41 - HN    LEU   63  14.03 +/- 1.69   1.879% *  0.3957% (0.80   0.02   0.02) =   0.019%
          HG    LEU  123 - HN    LEU   63  11.94 +/- 2.45   3.523% *  0.1855% (0.38   0.02   0.02) =   0.017%
          HG12  ILE  103 - HN    LEU   63  16.34 +/- 2.76   2.000% *  0.3197% (0.65   0.02   0.02) =   0.017%
          HB3   PRO   52 - HN    LEU   63  14.78 +/- 2.46   2.357% *  0.1855% (0.38   0.02   0.02) =   0.011%
          QB    LYS+ 102 - HN    LEU   63  18.64 +/- 2.24   0.963% *  0.4287% (0.87   0.02   0.02) =   0.011%
          HB3   GLN   17 - HN    LEU   63  12.54 +/- 2.08   2.759% *  0.1100% (0.22   0.02   0.02) =   0.008%
    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 = 5.0, residual support = 41.5:
      O   HA    PHE   60 - HN    ALA   61   3.62 +/- 0.03  87.853% * 99.3945% (0.69  10.0   5.00  41.47) =  99.986%  kept
          QB    SER  117 - HN    ALA   61  12.59 +/- 1.28   2.397% *  0.1434% (0.99   1.0   0.02   0.02) =   0.004%
          HA2   GLY   51 - HN    ALA   61  13.48 +/- 1.82   2.050% *  0.1209% (0.84   1.0   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ALA   61  13.33 +/- 2.65   2.419% *  0.0994% (0.69   1.0   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ALA   61  13.41 +/- 2.35   2.400% *  0.0819% (0.57   1.0   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    ALA   61  15.47 +/- 1.10   1.202% *  0.1106% (0.76   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    ALA   61  13.71 +/- 0.77   1.679% *  0.0494% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 2.74, residual support = 17.8:
      O   HA    ALA   61 - HN    ALA   61   2.80 +/- 0.06  87.476% * 94.5331% (0.95  10.0   2.75  17.90) =  99.400%  kept
          HD3   PRO   58 - HN    ALA   61   6.31 +/- 0.89   9.292% *  5.3494% (0.65   1.0   1.65   0.88) =   0.597%  kept
          HD2   PRO   68 - HN    ALA   61  11.39 +/- 1.73   1.587% *  0.0800% (0.80   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    ALA   61  11.95 +/- 1.90   1.645% *  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 = 4.86, residual support = 41.3:
          HB2   PHE   60 - HN    ALA   61   3.22 +/- 0.49  87.738% * 97.2068% (0.84   4.87  41.47) =  99.681%  kept
          HB    THR   46 - HN    ALA   61   9.51 +/- 3.14  11.364% *  2.3648% (0.20   0.50   0.02) =   0.314%  kept
          HB2   TRP   87 - HN    ALA   61  18.21 +/- 3.76   0.898% *  0.4284% (0.90   0.02   0.02) =   0.004%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 41.5:
          HB3   PHE   60 - HN    ALA   61   3.15 +/- 0.70  93.102% * 99.1927% (0.98   5.00  41.47) =  99.986%  kept
          HB2   PHE   97 - HN    ALA   61  13.86 +/- 3.57   3.719% *  0.1664% (0.41   0.02   0.02) =   0.007%
          QE    LYS+ 106 - HN    ALA   61  16.58 +/- 2.33   1.005% *  0.3510% (0.87   0.02   0.02) =   0.004%
          HB3   TRP   27 - HN    ALA   61  14.60 +/- 2.23   1.814% *  0.1519% (0.38   0.02   0.02) =   0.003%
          HB2   ASN   35 - HN    ALA   61  23.12 +/- 2.93   0.360% *  0.1380% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.19 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 = 4.0, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.06 +/- 0.09  91.146% * 99.0576% (0.73  10.0   4.00  17.90) =  99.990%  kept
          QG    LYS+  66 - HN    ALA   61   8.89 +/- 1.21   1.475% *  0.1337% (0.98   1.0   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ALA   61  12.18 +/- 2.77   1.219% *  0.1352% (0.99   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ALA   61  13.20 +/- 3.59   1.597% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ALA   61   9.26 +/- 1.66   1.400% *  0.0827% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA   61  10.47 +/- 1.81   0.885% *  0.1183% (0.87   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   61  10.90 +/- 1.98   1.067% *  0.0664% (0.49   1.0   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ALA   61  13.46 +/- 2.05   0.479% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  14.26 +/- 2.00   0.382% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  22.58 +/- 4.42   0.135% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  16.68 +/- 2.29   0.215% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.754, support = 6.07, residual support = 39.3:
          HD3   PRO   58 - HN    PHE   59   3.07 +/- 0.71  88.381% * 95.4346% (0.76   6.10  39.45) =  99.565%  kept
          HA    ALA   61 - HN    PHE   59   7.16 +/- 0.32   8.677% *  4.1939% (0.26   0.77   0.68) =   0.430%  kept
          HA    VAL   75 - HN    PHE   59  15.40 +/- 1.87   1.231% *  0.3083% (0.74   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    PHE   59  13.13 +/- 2.55   1.710% *  0.0632% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.35, residual support = 58.4:
      O   HB2   PHE   59 - HN    PHE   59   2.38 +/- 0.45  88.626% * 99.5977% (0.76  10.0   4.35  58.37) =  99.990%  kept
          QB    PHE   55 - HN    PHE   59   7.81 +/- 0.66   3.233% *  0.0951% (0.73   1.0   0.02   0.02) =   0.003%
          HB3   CYS   53 - HN    PHE   59   9.30 +/- 1.67   3.980% *  0.0690% (0.53   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    PHE   59  10.98 +/- 2.01   2.198% *  0.0609% (0.47   1.0   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    PHE   59  13.02 +/- 2.34   0.992% *  0.0901% (0.69   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    PHE   59  13.86 +/- 3.39   0.971% *  0.0872% (0.67   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 = 58.4:
      O   HB3   PHE   59 - HN    PHE   59   2.60 +/- 0.45  96.885% * 99.9594% (0.67  10.0   4.97  58.37) =  99.999%  kept
          HB2   PHE   95 - HN    PHE   59  10.96 +/- 2.40   2.480% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  16.16 +/- 2.42   0.635% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.196, support = 6.5, residual support = 39.1:
      O   HB2   PRO   58 - HN    PHE   59   3.88 +/- 0.60  62.800% * 96.6734% (0.19  10.0   6.56  39.45) =  99.118%  kept
          HB2   GLN  116 - HN    PHE   59   7.47 +/- 2.09  22.739% *  2.2033% (0.64   1.0   0.14   0.66) =   0.818%  kept
          HB3   PHE   97 - HN    PHE   59  14.15 +/- 3.84  12.968% *  0.2663% (0.53   1.0   0.02   0.02) =   0.056%
          QG    GLU-  79 - HN    PHE   59  18.81 +/- 3.10   0.801% *  0.3104% (0.62   1.0   0.02   0.02) =   0.004%
          HB2   GLU- 100 - HN    PHE   59  23.73 +/- 3.86   0.377% *  0.3579% (0.71   1.0   0.02   0.02) =   0.002%
          QG    GLN   32 - HN    PHE   59  24.12 +/- 2.17   0.316% *  0.1887% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.29, residual support = 39.4:
          HG2   PRO   58 - HN    PHE   59   2.96 +/- 0.30  91.065% * 98.7273% (0.76   6.30  39.45) =  99.987%  kept
          HB2   PRO   93 - HN    PHE   59  11.45 +/- 2.83   3.075% *  0.1315% (0.32   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    PHE   59  13.57 +/- 1.31   1.127% *  0.3136% (0.76   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    PHE   59  10.07 +/- 1.01   2.716% *  0.0560% (0.14   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HN    PHE   59  22.47 +/- 3.55   0.356% *  0.3193% (0.77   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    PHE   59  15.50 +/- 2.21   0.869% *  0.0890% (0.21   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    PHE   59  27.48 +/- 4.15   0.177% *  0.3200% (0.77   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   59  16.60 +/- 1.95   0.616% *  0.0433% (0.10   0.02   0.02) =   0.000%
    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 = 0.681, support = 6.19, residual support = 39.0:
      O   HB3   PRO   58 - HN    PHE   59   3.77 +/- 0.36  46.971% * 97.6194% (0.69  10.0   6.30  39.45) =  97.832%  kept
          HB    ILE   56 - HN    PHE   59   4.05 +/- 1.54  49.832% *  2.0356% (0.19   1.0   1.50  20.27) =   2.164%  kept
          HB2   MET   92 - HN    PHE   59  15.99 +/- 3.27   1.079% *  0.0790% (0.56   1.0   0.02   0.02) =   0.002%
          HB3   MET   96 - HN    PHE   59  14.89 +/- 2.48   1.023% *  0.0271% (0.19   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   59  22.39 +/- 3.57   0.393% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  19.74 +/- 2.17   0.340% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  28.06 +/- 3.89   0.152% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  23.67 +/- 2.93   0.211% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.02 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   3.33 +/- 0.93  86.766% * 97.7311% (0.67   4.26  20.27) =  99.961%  kept
          HB2   LEU   73 - HN    PHE   59  14.98 +/- 2.98   2.463% *  0.3207% (0.47   0.02   0.02) =   0.009%
          HB3   MET   92 - HN    PHE   59  14.63 +/- 3.19   2.619% *  0.2370% (0.35   0.02   0.02) =   0.007%
          QD    LYS+ 106 - HN    PHE   59  15.96 +/- 2.35   1.171% *  0.4233% (0.62   0.02   0.02) =   0.006%
          QD    LYS+  99 - HN    PHE   59  17.70 +/- 3.88   0.891% *  0.4416% (0.64   0.02   0.02) =   0.005%
          HB3   LYS+  99 - HN    PHE   59  18.86 +/- 4.26   0.789% *  0.4040% (0.59   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    PHE   59  14.91 +/- 1.66   1.711% *  0.1803% (0.26   0.02   0.02) =   0.004%
          HB2   LEU  123 - HN    PHE   59  11.98 +/- 1.32   2.764% *  0.0816% (0.12   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    PHE   59  18.68 +/- 2.21   0.826% *  0.1803% (0.26   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.51, support = 0.02, residual support = 0.638:
          HA    ALA   61 - HN    ALA   57   8.22 +/- 0.85  71.170% * 14.7090% (0.34   0.02   1.12) =  56.034%  kept
          HA    VAL   24 - HN    ALA   57  20.46 +/- 3.76   9.161% * 41.6148% (0.97   0.02   0.02) =  20.405%  kept
          HD2   PRO   68 - HN    ALA   57  15.17 +/- 2.65  16.102% * 22.6869% (0.53   0.02   0.02) =  19.553%  kept
          HA    LYS+  38 - HN    ALA   57  24.88 +/- 3.48   3.568% * 20.9893% (0.49   0.02   0.02) =   4.008%  kept
    Distance limit 3.62 A violated in 20 structures by 4.50 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.398, support = 0.175, residual support = 0.02:
          HD2   ARG+  54 - HN    ALA   57   8.24 +/- 2.01  32.661% * 85.0375% (0.41   0.20   0.02) =  87.189%  kept
          HB3   CYS   53 - HN    ALA   57   7.24 +/- 1.25  43.917% *  7.1469% (0.34   0.02   0.02) =   9.853%  kept
          HD3   PRO   93 - HN    ALA   57  12.84 +/- 4.23  17.366% *  4.1463% (0.20   0.02   0.02) =   2.260%  kept
          HD3   PRO   68 - HN    ALA   57  15.09 +/- 2.53   6.056% *  3.6693% (0.18   0.02   0.02) =   0.698%  kept
    Distance limit 4.62 A violated in 11 structures by 1.72 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.557, support = 4.8, residual support = 28.6:
          HB    ILE   56 - HN    ALA   57   3.24 +/- 1.14  72.069% * 25.7186% (0.25   5.34  31.96) =  52.459%  kept
          HB3   PRO   58 - HN    ALA   57   5.66 +/- 0.59  22.978% * 73.0561% (0.90   4.21  24.90) =  47.510%  kept
          HB2   MET   92 - HN    ALA   57  15.04 +/- 3.96   2.596% *  0.2807% (0.73   0.02   0.02) =   0.021%
          HB3   GLN   30 - HN    ALA   57  20.65 +/- 2.54   0.473% *  0.2189% (0.57   0.02   0.02) =   0.003%
          HB3   MET   96 - HN    ALA   57  15.96 +/- 1.80   1.002% *  0.0964% (0.25   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    ALA   57  23.48 +/- 4.01   0.462% *  0.2034% (0.53   0.02   0.02) =   0.003%
          HG3   MET   11 - HN    ALA   57  28.93 +/- 4.40   0.200% *  0.2807% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    ALA   57  25.49 +/- 3.71   0.220% *  0.1451% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.84, residual support = 24.1:
      O   QB    ALA   57 - HN    ALA   57   2.75 +/- 0.42  92.094% * 99.4737% (0.92  10.0   4.84  24.14) =  99.994%  kept
          HD2   LYS+  74 - HN    ALA   57  13.61 +/- 3.11   1.829% *  0.1068% (0.99   1.0   0.02   0.02) =   0.002%
          QD    LYS+  65 - HN    ALA   57  11.16 +/- 1.50   2.014% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ALA   57  14.73 +/- 2.87   0.909% *  0.0966% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HN    ALA   57  13.55 +/- 2.54   1.486% *  0.0567% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   LEU  123 - HN    ALA   57  15.21 +/- 2.56   0.943% *  0.0697% (0.65   1.0   0.02   0.02) =   0.001%
          QD    LYS+  33 - HN    ALA   57  22.00 +/- 2.01   0.230% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.97 +/- 2.11   0.261% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  23.67 +/- 3.84   0.234% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.33, residual support = 31.9:
          QG2   ILE   56 - HN    ALA   57   3.57 +/- 0.49  84.871% * 97.4847% (0.87   5.34  31.96) =  99.955%  kept
          HG2   LYS+  74 - HN    ALA   57  13.21 +/- 3.45   6.046% *  0.1888% (0.45   0.02   0.02) =   0.014%
          QB    ALA   91 - HN    ALA   57  14.51 +/- 2.46   2.016% *  0.4065% (0.97   0.02   0.02) =   0.010%
          QG2   THR   39 - HN    ALA   57  17.56 +/- 2.42   1.023% *  0.4065% (0.97   0.02   0.02) =   0.005%
          HG13  ILE   19 - HN    ALA   57  18.06 +/- 2.77   1.036% *  0.2893% (0.69   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    ALA   57  19.01 +/- 3.96   1.843% *  0.1437% (0.34   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    ALA   57  18.25 +/- 2.15   0.860% *  0.2893% (0.69   0.02   0.02) =   0.003%
          HG    LEU   71 - HN    ALA   57  18.04 +/- 3.77   1.076% *  0.1732% (0.41   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    ALA   57  22.52 +/- 4.59   0.902% *  0.2050% (0.49   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ALA   57  26.60 +/- 4.12   0.327% *  0.4129% (0.98   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.09 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.62, residual support = 61.0:
      O   HB2   ASN   69 - HD21  ASN   69   3.06 +/- 0.57  87.086% * 99.6854% (0.36  10.0   3.62  60.99) =  99.982%  kept
          QE    LYS+  66 - HD21  ASN   69  10.24 +/- 2.77  10.919% *  0.1287% (0.47   1.0   0.02   0.02) =   0.016%
          HB3   ASN   35 - HD21  ASN   69  16.43 +/- 3.14   1.144% *  0.0811% (0.30   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HD21  ASN   69  19.84 +/- 2.41   0.523% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  23.66 +/- 3.14   0.328% *  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 = 0.315, support = 4.02, residual support = 26.3:
          QG1   VAL   70 - HD21  ASN   69   3.99 +/- 0.83  53.103% * 88.4644% (0.32   4.12  27.05) =  97.321%  kept
          QD1   LEU   71 - HD21  ASN   69   6.90 +/- 1.74  21.491% *  2.9528% (0.19   0.23   0.02) =   1.315%  kept
          QD1   LEU  123 - HD21  ASN   69  12.33 +/- 5.25   7.878% *  6.8126% (0.19   0.53   0.02) =   1.112%  kept
          HB3   LEU   63 - HD21  ASN   69   9.72 +/- 2.79  12.975% *  0.7585% (0.56   0.02   0.02) =   0.204%  kept
          QG1   VAL   18 - HD21  ASN   69  10.70 +/- 2.18   3.825% *  0.5210% (0.39   0.02   0.02) =   0.041%
          QG1   VAL  108 - HD21  ASN   69  19.08 +/- 3.48   0.727% *  0.4907% (0.36   0.02   0.02) =   0.007%
    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 = 0.413, support = 0.02, residual support = 0.02:
          HA    LYS+  99 - HD21  ASN   69  10.92 +/- 3.29  16.754% * 19.7883% (0.53   0.02   0.02) =  29.255%  kept
          HA    LEU  123 - HD21  ASN   69  14.73 +/- 7.72  19.488% * 14.3693% (0.39   0.02   0.02) =  24.710%  kept
          HA    ILE   56 - HD21  ASN   69  19.60 +/- 3.32   7.934% * 16.7505% (0.45   0.02   0.02) =  11.727%  kept
          HA    ASN   35 - HD21  ASN   69  13.97 +/- 3.05   7.215% * 17.4728% (0.47   0.02   0.02) =  11.124%  kept
          HA    PHE   59 - HD21  ASN   69  14.45 +/- 2.70  12.220% *  8.6000% (0.23   0.02   0.02) =   9.273%  kept
          HA    LEU   40 - HD21  ASN   69   8.26 +/- 2.54  33.244% *  2.8311% (0.08   0.02   0.02) =   8.305%  kept
          HA    ASP- 113 - HD21  ASN   69  20.55 +/- 3.82   3.146% * 20.1881% (0.54   0.02   0.02) =   5.604%  kept
    Distance limit 4.95 A violated in 10 structures by 2.15 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.959, support = 4.02, residual support = 21.2:
          QB    PHE   55 - HN    ILE   56   2.98 +/- 0.43  59.664% * 60.3862% (0.97   4.32  22.92) =  90.622%  kept
          HD2   ARG+  54 - HN    ILE   56   6.52 +/- 0.97   9.114% * 20.1940% (0.92   1.51   0.02) =   4.629%  kept
          HB3   CYS   53 - HN    ILE   56   5.64 +/- 0.50  10.649% * 10.4770% (0.97   0.75   0.02) =   2.806%  kept
          HB2   PHE   59 - HN    ILE   56   6.50 +/- 1.24   9.088% *  8.2966% (0.76   0.75  20.27) =   1.896%  kept
          HD3   PRO   93 - HN    ILE   56  11.62 +/- 4.40   5.261% *  0.2889% (1.00   0.02   0.02) =   0.038%
          HD3   PRO   68 - HN    ILE   56  16.82 +/- 3.27   0.816% *  0.2869% (0.99   0.02   0.02) =   0.006%
          HD3   PRO   93 - HZ2   TRP   87  15.96 +/- 2.91   3.778% *  0.0125% (0.04   0.02   0.02) =   0.001%
          HB3   CYS   53 - HZ2   TRP   87  19.50 +/- 3.13   0.428% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  18.42 +/- 2.00   0.343% *  0.0125% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.94 +/- 3.11   0.338% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  23.94 +/- 4.07   0.238% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  19.02 +/- 1.89   0.283% *  0.0096% (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 = 6.0, residual support = 124.6:
      O   HB    ILE   56 - HN    ILE   56   3.63 +/- 0.28  45.003% * 94.6912% (0.87  10.0   6.04 125.40) =  99.351%  kept
          HB3   PRO   58 - HN    ILE   56   8.47 +/- 0.93   4.254% *  4.1890% (0.80   1.0   0.96   0.02) =   0.415%  kept
          HG2   ARG+  54 - HN    ILE   56   5.28 +/- 0.78  17.708% *  0.5383% (0.18   1.0   0.56   0.02) =   0.222%  kept
          HB2   MET   92 - HN    ILE   56  13.75 +/- 4.17   2.681% *  0.1033% (0.95   1.0   0.02   0.02) =   0.006%
          QB    LYS+ 106 - HN    ILE   56  16.24 +/- 1.54   0.577% *  0.0489% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ILE   56  22.21 +/- 2.21   0.237% *  0.1089% (1.00   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HZ2   TRP   87  10.02 +/- 2.51   7.179% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.67 +/- 2.78   3.221% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  20.06 +/- 3.40   0.375% *  0.0372% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.53 +/- 3.37   0.129% *  0.1053% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  12.42 +/- 5.69   2.878% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  20.69 +/- 3.04   0.298% *  0.0449% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  17.91 +/- 4.09   0.747% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  17.76 +/- 2.47   0.490% *  0.0216% (0.20   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.56 +/- 2.05   0.165% *  0.0304% (0.28   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87   9.56 +/- 3.87   6.456% *  0.0007% (0.01   1.0   0.02   0.39) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  20.24 +/- 3.32   0.873% *  0.0041% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.63 +/- 2.22   0.209% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.56 +/- 0.92   1.543% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  18.28 +/- 3.50   0.460% *  0.0046% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  30.57 +/- 4.73   0.094% *  0.0168% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  13.98 +/- 1.25   0.910% *  0.0016% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  13.17 +/- 2.78   1.492% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  14.86 +/- 4.28   1.020% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  22.00 +/- 2.81   0.253% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  23.23 +/- 3.53   0.260% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  19.66 +/- 1.91   0.329% *  0.0006% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  28.81 +/- 7.53   0.159% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.21 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 125.3:
          QG1   ILE   56 - HN    ILE   56   3.35 +/- 0.59  57.085% * 97.6538% (0.87   5.27 125.40) =  99.934%  kept
          HD2   LYS+ 111 - HN    ILE   56  13.54 +/- 3.56   2.496% *  0.5628% (0.34   0.08   0.02) =   0.025%
          HB3   MET   92 - HN    ILE   56  12.40 +/- 4.03   4.355% *  0.1915% (0.45   0.02   0.02) =   0.015%
          HB2   LEU   73 - HN    ILE   56  16.69 +/- 4.05   1.795% *  0.2591% (0.61   0.02   0.02) =   0.008%
          QD    LYS+  99 - HN    ILE   56  21.10 +/- 3.72   0.500% *  0.3569% (0.84   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HZ2   TRP   87  10.18 +/- 2.88  11.593% *  0.0148% (0.03   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    ILE   56  17.67 +/- 1.57   0.498% *  0.3421% (0.80   0.02   0.02) =   0.003%
          HB3   LYS+  99 - HN    ILE   56  22.54 +/- 3.74   0.368% *  0.3265% (0.76   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    ILE   56  18.47 +/- 2.69   0.629% *  0.1457% (0.34   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    ILE   56  15.80 +/- 2.77   0.908% *  0.0659% (0.15   0.02   0.02) =   0.001%
          HB2   LEU   73 - HZ2   TRP   87  12.35 +/- 4.20   4.733% *  0.0112% (0.03   0.02   0.02) =   0.001%
          HB3   MET   92 - HZ2   TRP   87  15.51 +/- 2.58   4.423% *  0.0083% (0.02   0.02   0.02) =   0.001%
          HB    ILE   89 - HZ2   TRP   87   8.16 +/- 0.74   5.597% *  0.0063% (0.01   0.02  18.94) =   0.001%
          QD    LYS+  99 - HZ2   TRP   87  13.74 +/- 3.04   1.590% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  13.38 +/- 3.02   1.625% *  0.0142% (0.03   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  17.07 +/- 2.46   1.194% *  0.0161% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  21.63 +/- 3.19   0.405% *  0.0063% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  24.32 +/- 2.83   0.205% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.72, support = 0.735, residual support = 0.69:
          HB3   LEU  115 - HN    ILE   56   9.28 +/- 1.67   9.199% * 61.2968% (0.92   0.81   0.12) =  63.925%  kept
          QB    ALA   61 - HN    ILE   56   8.12 +/- 0.95  11.667% * 21.4703% (0.38   0.70   2.14) =  28.399%  kept
          QB    ALA  110 - HN    ILE   56  11.85 +/- 2.94   6.187% *  4.8501% (0.20   0.30   0.14) =   3.402%  kept
          HG    LEU   73 - HZ2   TRP   87  11.66 +/- 4.58   8.426% *  1.3053% (0.04   0.41   0.02) =   1.247%  kept
          HG    LEU  115 - HN    ILE   56   8.29 +/- 1.47  11.987% *  0.6133% (0.38   0.02   0.12) =   0.833%  kept
          HG    LEU   73 - HN    ILE   56  17.44 +/- 4.28   2.766% *  1.4655% (0.90   0.02   0.02) =   0.460%  kept
          QG    LYS+  66 - HN    ILE   56  13.43 +/- 2.27   3.100% *  1.1866% (0.73   0.02   0.02) =   0.417%  kept
          HG    LEU   67 - HN    ILE   56  16.91 +/- 2.77   1.732% *  1.3649% (0.84   0.02   0.02) =   0.268%  kept
          QB    ALA  120 - HN    ILE   56  12.55 +/- 1.58   3.386% *  0.6133% (0.38   0.02   0.02) =   0.235%  kept
          HG    LEU   40 - HZ2   TRP   87  12.80 +/- 2.82   3.585% *  0.5329% (0.04   0.16   0.02) =   0.217%  kept
          HG    LEU   40 - HN    ILE   56  18.89 +/- 3.09   1.114% *  1.5084% (0.92   0.02   0.02) =   0.191%  kept
          HB3   LEU   67 - HN    ILE   56  16.69 +/- 2.20   1.324% *  0.8597% (0.53   0.02   0.02) =   0.129%  kept
          HG2   LYS+ 102 - HN    ILE   56  26.94 +/- 3.16   0.327% *  1.5770% (0.97   0.02   0.02) =   0.058%
          HG2   LYS+ 102 - HZ2   TRP   87  13.11 +/- 4.43   5.242% *  0.0684% (0.04   0.02   0.02) =   0.041%
          HG    LEU   80 - HN    ILE   56  20.40 +/- 2.99   0.837% *  0.3638% (0.22   0.02   0.02) =   0.035%
          HG12  ILE   19 - HN    ILE   56  19.73 +/- 2.72   1.110% *  0.2521% (0.15   0.02   0.02) =   0.032%
          HB3   LEU   40 - HN    ILE   56  20.30 +/- 3.05   0.845% *  0.3234% (0.20   0.02   0.02) =   0.031%
          HG    LEU   80 - HZ2   TRP   87   9.09 +/- 1.67   9.200% *  0.0158% (0.01   0.02   0.02) =   0.016%
          HG    LEU   67 - HZ2   TRP   87  16.56 +/- 3.07   1.831% *  0.0592% (0.04   0.02   0.02) =   0.012%
          HB3   LEU  115 - HZ2   TRP   87  16.64 +/- 1.57   1.580% *  0.0655% (0.04   0.02   0.02) =   0.012%
          HB3   LEU   67 - HZ2   TRP   87  15.97 +/- 2.49   1.927% *  0.0373% (0.02   0.02   0.02) =   0.008%
          QG    LYS+  66 - HZ2   TRP   87  18.55 +/- 2.18   1.298% *  0.0515% (0.03   0.02   0.02) =   0.008%
          QB    ALA   61 - HZ2   TRP   87  15.20 +/- 3.19   2.444% *  0.0266% (0.02   0.02   0.02) =   0.007%
          HG    LEU  115 - HZ2   TRP   87  17.29 +/- 2.26   1.908% *  0.0266% (0.02   0.02   0.02) =   0.006%
          HB3   LEU   40 - HZ2   TRP   87  14.13 +/- 2.98   2.437% *  0.0140% (0.01   0.02   0.02) =   0.004%
          QB    ALA  110 - HZ2   TRP   87  16.60 +/- 2.46   1.864% *  0.0140% (0.01   0.02   0.02) =   0.003%
          QB    ALA  120 - HZ2   TRP   87  19.68 +/- 1.90   0.854% *  0.0266% (0.02   0.02   0.02) =   0.003%
          HG12  ILE   19 - HZ2   TRP   87  16.74 +/- 5.27   1.822% *  0.0109% (0.01   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 14 structures by 1.77 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 125.4:
          QG2   ILE   56 - HN    ILE   56   2.57 +/- 0.78  79.911% * 98.4744% (1.00   6.74 125.40) =  99.989%  kept
          QB    ALA   91 - HN    ILE   56  13.61 +/- 2.75   1.476% *  0.2122% (0.73   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    ILE   56  19.78 +/- 3.79   0.568% *  0.1890% (0.65   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   56  19.80 +/- 1.77   0.298% *  0.2764% (0.95   0.02   0.02) =   0.001%
          QG2   THR   39 - HN    ILE   56  19.25 +/- 2.29   0.321% *  0.2122% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ILE   56  14.26 +/- 3.46   0.871% *  0.0578% (0.20   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    ILE   56  19.87 +/- 2.72   0.459% *  0.1097% (0.38   0.02   0.02) =   0.001%
          QB    ALA   34 - HZ2   TRP   87  10.85 +/- 3.63   2.794% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  28.66 +/- 3.69   0.097% *  0.2764% (0.95   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  19.79 +/- 3.67   0.523% *  0.0512% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  13.89 +/- 3.07   5.474% *  0.0025% (0.01   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  13.04 +/- 3.07   1.422% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  12.60 +/- 1.71   1.135% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.33 +/- 3.85   0.126% *  0.0651% (0.22   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  14.33 +/- 4.46   0.965% *  0.0082% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  17.08 +/- 3.26   0.564% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  19.05 +/- 3.49   0.370% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  14.63 +/- 3.24   1.057% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  15.67 +/- 3.28   1.068% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  17.33 +/- 4.96   0.498% *  0.0048% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.10 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.908, support = 5.61, residual support = 84.9:
          HD2   ARG+  54 - HN    ARG+  54   4.28 +/- 0.61  23.138% * 43.9989% (0.95   6.59 169.89) =  41.851%  kept
          HB3   CYS   53 - HN    ARG+  54   3.95 +/- 0.38  27.256% * 36.6484% (0.94   5.54  31.86) =  41.063%  kept
          QB    PHE   55 - HN    ARG+  54   4.22 +/- 0.29  22.176% * 18.4399% (0.76   3.45   4.18) =  16.811%  kept
          HB2   PHE   59 - HN    ASP-  62   5.52 +/- 0.75  11.870% *  0.4930% (0.09   0.75   6.31) =   0.241%  kept
          HD3   PRO   93 - HN    ARG+  54  11.00 +/- 3.46   2.885% *  0.1198% (0.85   0.02   0.02) =   0.014%
          HB2   PHE   59 - HN    ARG+  54   9.74 +/- 1.80   2.776% *  0.0703% (0.50   0.02   0.02) =   0.008%
          HD3   PRO   68 - HN    ARG+  54  18.49 +/- 4.94   0.863% *  0.1158% (0.82   0.02   0.02) =   0.004%
          HB3   CYS   53 - HN    ASP-  62  10.90 +/- 2.77   2.620% *  0.0248% (0.18   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    ASP-  62  12.78 +/- 3.08   2.195% *  0.0250% (0.18   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ASP-  62   9.97 +/- 1.66   2.140% *  0.0217% (0.15   0.02   0.02) =   0.002%
          QB    PHE   55 - HN    ASP-  62  10.54 +/- 0.68   1.409% *  0.0200% (0.14   0.02   0.02) =   0.001%
          HD3   PRO   93 - HN    ASP-  62  15.00 +/- 3.22   0.672% *  0.0224% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.6, residual support = 169.9:
      O   HB2   ARG+  54 - HN    ARG+  54   2.50 +/- 0.41  82.380% * 96.9633% (0.26  10.0   6.60 169.89) =  99.983%  kept
          HB2   LYS+ 111 - HN    ARG+  54  13.48 +/- 3.10   1.085% *  0.2793% (0.76   1.0   0.02   0.02) =   0.004%
          HB3   PRO   68 - HN    ARG+  54  20.15 +/- 5.37   0.466% *  0.3457% (0.94   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ARG+  54  14.24 +/- 2.44   0.677% *  0.1974% (0.54   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    ASP-  62   9.44 +/- 1.27   2.551% *  0.0369% (0.10   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP-  62  12.82 +/- 3.18   1.616% *  0.0474% (0.13   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ASP-  62  12.12 +/- 1.48   1.029% *  0.0647% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ARG+  54  20.53 +/- 4.11   0.248% *  0.2532% (0.69   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ARG+  54  13.27 +/- 1.53   0.687% *  0.0776% (0.21   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ARG+  54  23.36 +/- 2.47   0.159% *  0.3025% (0.82   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ARG+  54  25.75 +/- 4.34   0.203% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  23.08 +/- 3.57   0.144% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  22.78 +/- 2.36   0.174% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  19.49 +/- 5.67   0.711% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  11.73 +/- 2.84   1.828% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  18.78 +/- 2.30   0.274% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.73 +/- 1.80   0.453% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  17.17 +/- 2.35   0.391% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  16.08 +/- 2.57   0.464% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  20.04 +/- 3.10   0.267% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  29.60 +/- 3.45   0.067% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  16.67 +/- 1.83   0.378% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.81 +/- 1.96   0.933% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.34 +/- 2.12   1.276% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.62 +/- 2.04   0.867% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.56 +/- 3.33   0.187% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.93 +/- 2.43   0.317% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  22.77 +/- 2.60   0.167% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.912, support = 6.47, residual support = 163.0:
          HG2   ARG+  54 - HN    ARG+  54   3.13 +/- 0.51  61.389% * 81.7389% (0.94   6.61 169.89) =  95.926%  kept
          HB3   PRO   52 - HN    ARG+  54   5.27 +/- 0.40  14.851% * 13.3968% (0.29   3.48   1.91) =   3.803%  kept
          HB    ILE   56 - HN    ARG+  54   7.59 +/- 0.65   5.114% *  2.5391% (0.46   0.42   0.02) =   0.248%  kept
          HG3   PRO   68 - HN    ARG+  54  19.64 +/- 5.72   0.852% *  0.2409% (0.91   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    ARG+  54  19.07 +/- 3.55   0.474% *  0.2409% (0.91   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    ASP-  62  11.71 +/- 2.45   2.405% *  0.0463% (0.18   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    ASP-  62   8.00 +/- 1.03   4.812% *  0.0227% (0.09   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ARG+  54  17.76 +/- 1.68   0.436% *  0.2238% (0.85   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ARG+  54  19.36 +/- 3.18   0.368% *  0.2304% (0.87   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    ASP-  62  11.53 +/- 1.99   1.845% *  0.0451% (0.17   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ARG+  54  20.12 +/- 2.38   0.266% *  0.2490% (0.94   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ARG+  54  18.10 +/- 4.03   0.579% *  0.0770% (0.29   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASP-  62  14.92 +/- 2.96   0.860% *  0.0466% (0.18   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ARG+  54  24.18 +/- 2.58   0.158% *  0.2446% (0.93   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ARG+  54  25.25 +/- 2.25   0.151% *  0.2474% (0.94   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ASP-  62  14.98 +/- 2.36   0.671% *  0.0419% (0.16   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ASP-  62  12.44 +/- 1.79   1.441% *  0.0144% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.09 +/- 2.22   0.443% *  0.0463% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  19.56 +/- 3.47   0.377% *  0.0458% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.30 +/- 1.82   0.881% *  0.0144% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  20.14 +/- 1.82   0.263% *  0.0431% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.70 +/- 2.40   0.228% *  0.0494% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.90 +/- 3.24   0.210% *  0.0451% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  29.39 +/- 3.78   0.091% *  0.0851% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  16.86 +/- 1.92   0.600% *  0.0092% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  21.30 +/- 2.49   0.236% *  0.0159% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.167, support = 2.72, residual support = 8.02:
          QB    ALA   61 - HN    ASP-  62   2.69 +/- 0.23  74.169% * 55.0015% (0.16   2.79   8.23) =  97.261%  kept
          QG    LYS+  66 - HN    ASP-  62   7.06 +/- 1.53   6.538% *  9.7208% (0.11   0.75   0.83) =   1.515%  kept
          QB    ALA   61 - HN    ARG+  54   9.40 +/- 1.50   2.418% * 12.7760% (0.87   0.12   0.02) =   0.737%  kept
          HB3   LEU   67 - HN    ASP-  62   9.53 +/- 1.71   1.982% *  3.9461% (0.14   0.23   0.02) =   0.186%  kept
          QG    LYS+  66 - HN    ARG+  54  14.85 +/- 4.12   2.820% *  1.3854% (0.57   0.02   0.02) =   0.093%
          QB    ALA  110 - HN    ARG+  54  12.78 +/- 2.60   1.068% *  2.2841% (0.95   0.02   0.02) =   0.058%
          HB3   LYS+  74 - HN    ARG+  54  15.42 +/- 2.91   0.801% *  1.1118% (0.46   0.02   0.02) =   0.021%
          HB3   LEU   67 - HN    ARG+  54  18.12 +/- 3.31   0.413% *  1.8290% (0.76   0.02   0.02) =   0.018%
          HG    LEU   73 - HN    ARG+  54  17.75 +/- 4.27   0.785% *  0.9390% (0.39   0.02   0.02) =   0.018%
          HG12  ILE   19 - HN    ARG+  54  20.44 +/- 3.13   0.318% *  2.2639% (0.94   0.02   0.02) =   0.017%
          HG    LEU   80 - HN    ARG+  54  19.77 +/- 2.85   0.222% *  2.2790% (0.94   0.02   0.02) =   0.012%
          HD3   LYS+ 121 - HN    ARG+  54  19.70 +/- 3.44   0.327% *  1.2017% (0.50   0.02   0.02) =   0.009%
          HB2   LEU   80 - HN    ARG+  54  19.31 +/- 2.40   0.241% *  1.5690% (0.65   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    ASP-  62  13.74 +/- 1.63   0.740% *  0.4236% (0.18   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    ASP-  62  14.56 +/- 2.01   0.604% *  0.4274% (0.18   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HN    ASP-  62  11.21 +/- 1.91   1.234% *  0.2080% (0.09   0.02   0.02) =   0.006%
          QB    LEU   98 - HN    ASP-  62  15.16 +/- 3.19   2.158% *  0.1066% (0.04   0.02   0.02) =   0.005%
          HG    LEU   73 - HN    ASP-  62  13.14 +/- 2.20   1.224% *  0.1757% (0.07   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    ASP-  62  14.21 +/- 2.29   0.768% *  0.2249% (0.09   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    ARG+  54  20.30 +/- 2.48   0.266% *  0.5695% (0.24   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ASP-  62  17.79 +/- 2.16   0.300% *  0.4264% (0.18   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ASP-  62  18.01 +/- 2.00   0.286% *  0.2936% (0.12   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ARG+  54  28.65 +/- 3.25   0.079% *  0.7050% (0.29   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ASP-  62  23.04 +/- 3.80   0.239% *  0.1319% (0.05   0.02   0.02) =   0.001%
    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 = 0.461, support = 2.73, residual support = 10.8:
      O   HA2   GLY   51 - HN    GLY   51   2.57 +/- 0.27  45.184% * 83.6625% (0.49  10.0   2.21  10.18) =  82.607%  kept
          HD2   PRO   52 - HN    GLY   51   2.63 +/- 0.91  52.214% * 15.2377% (0.34   1.0   5.20  13.51) =  17.386%  kept
          QB    SER   48 - HN    GLY   51   7.64 +/- 0.84   1.540% *  0.1314% (0.76   1.0   0.02   0.02) =   0.004%
          HA    LYS+  65 - HN    GLY   51  18.14 +/- 4.11   0.211% *  0.1587% (0.92   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  14.63 +/- 1.76   0.235% *  0.1112% (0.65   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    GLY   51  21.25 +/- 3.61   0.108% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  20.53 +/- 2.76   0.103% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.67 +/- 4.64   0.052% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  23.45 +/- 3.47   0.073% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  17.18 +/- 2.40   0.149% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  21.09 +/- 3.15   0.103% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.63 +/- 2.73   0.028% *  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 = 1.58, residual support = 7.7:
      O   QB    CYS   50 - HN    CYS   50   2.96 +/- 0.33  88.178% * 99.6277% (0.69  10.0   1.58   7.70) =  99.983%  kept
          QE    LYS+  74 - HN    CYS   50  10.91 +/- 3.52   5.834% *  0.1335% (0.73   1.0   0.02   0.02) =   0.009%
          HB3   ASP-  78 - HN    CYS   50  14.00 +/- 5.60   4.362% *  0.1536% (0.84   1.0   0.02   0.02) =   0.008%
          HB3   HIS  122 - HN    CYS   50  20.23 +/- 4.29   1.314% *  0.0284% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  23.09 +/- 3.83   0.313% *  0.0568% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.565, support = 1.99, residual support = 6.6:
          QB    ALA   47 - HN    CYS   50   2.92 +/- 1.15  77.015% * 96.7990% (0.57   2.00   6.62) =  99.642%  kept
          HG2   LYS+ 112 - HN    CYS   50   9.76 +/- 3.07  17.630% *  1.1907% (0.18   0.08   0.02) =   0.281%  kept
          QB    ALA   64 - HN    CYS   50  12.90 +/- 2.08   3.560% *  1.2429% (0.73   0.02   0.02) =   0.059%
          QG1   VAL   42 - HN    CYS   50  13.89 +/- 1.32   1.795% *  0.7674% (0.45   0.02   0.02) =   0.018%
    Distance limit 4.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.295, support = 3.46, residual support = 14.3:
      O   HA    SER   48 - HN    TRP   49   3.53 +/- 0.07  35.935% * 70.3922% (0.22  10.0   3.25  14.36) =  67.596%  kept
          QB    SER   48 - HN    TRP   49   3.28 +/- 0.40  43.606% * 27.7246% (0.45   1.0   3.91  14.36) =  32.306%  kept
          HD2   PRO   52 - HN    TRP   49   6.05 +/- 1.31  12.376% *  0.2045% (0.65   1.0   0.02   3.11) =   0.068%
          HA    LYS+  65 - HN    TRP   49  17.57 +/- 5.35   1.285% *  0.3134% (0.99   1.0   0.02   0.02) =   0.011%
          HA2   GLY   51 - HN    TRP   49   7.40 +/- 0.88   4.369% *  0.0704% (0.22   1.0   0.02   0.02) =   0.008%
          QB    SER   85 - HN    TRP   49  17.38 +/- 2.62   0.443% *  0.3051% (0.97   1.0   0.02   0.02) =   0.004%
          HB    THR   94 - HN    TRP   49  12.55 +/- 1.19   0.801% *  0.1079% (0.34   1.0   0.02   0.02) =   0.002%
          HA    ALA   88 - HN    TRP   49  17.94 +/- 3.17   0.609% *  0.1300% (0.41   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    TRP   49  22.58 +/- 3.64   0.213% *  0.2172% (0.69   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    TRP   49  25.50 +/- 5.34   0.139% *  0.3051% (0.97   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    TRP   49  27.53 +/- 3.14   0.091% *  0.1418% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  24.40 +/- 3.00   0.132% *  0.0879% (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 = 4.1, residual support = 85.9:
      O   HB3   TRP   49 - HN    TRP   49   2.95 +/- 0.52  98.565% * 99.8958% (0.80  10.0   4.10  85.92) =  99.998%  kept
          HB3   PHE   59 - HN    TRP   49  14.65 +/- 2.38   1.435% *  0.1042% (0.84   1.0   0.02   0.02) =   0.002%
    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 = 0.393, support = 2.46, residual support = 9.17:
      O   QB    SER   48 - HN    SER   48   2.36 +/- 0.21  56.489% * 66.2308% (0.45  10.0   2.41   9.17) =  75.619%  kept
      O   HA    SER   48 - HN    SER   48   2.74 +/- 0.05  36.658% * 32.8893% (0.22  10.0   2.61   9.17) =  24.369%  kept
          HD2   PRO   52 - HN    SER   48   7.94 +/- 1.75   3.219% *  0.0956% (0.65   1.0   0.02   0.02) =   0.006%
          HA    LYS+  65 - HN    SER   48  16.99 +/- 5.31   0.724% *  0.1464% (0.99   1.0   0.02   0.02) =   0.002%
          QB    SER   85 - HN    SER   48  15.59 +/- 2.76   0.324% *  0.1426% (0.97   1.0   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    SER   48  16.13 +/- 3.48   0.655% *  0.0607% (0.41   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER   48  11.15 +/- 1.67   0.710% *  0.0504% (0.34   1.0   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.48 +/- 0.92   0.962% *  0.0329% (0.22   1.0   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    SER   48  24.89 +/- 5.16   0.065% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  22.95 +/- 3.28   0.082% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  25.81 +/- 3.28   0.054% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  24.51 +/- 2.74   0.058% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 4.04, residual support = 6.2:
          QB    ALA   47 - HN    SER   48   2.88 +/- 0.28  89.646% * 98.3955% (0.90   4.04   6.20) =  99.908%  kept
          HG2   LYS+ 112 - HN    SER   48  11.37 +/- 3.16   7.531% *  0.9663% (0.45   0.08   0.02) =   0.082%
          QG1   VAL   42 - HN    SER   48  13.19 +/- 1.03   1.114% *  0.4345% (0.80   0.02   0.02) =   0.005%
          QB    ALA   64 - HN    SER   48  12.61 +/- 2.40   1.710% *  0.2037% (0.38   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 = 0.812, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.12 +/- 3.15  64.850% * 52.2208% (0.84   0.02   0.02) =  66.849%  kept
          HB2   TRP   87 - HN    ALA   47  14.61 +/- 2.68  35.150% * 47.7792% (0.76   0.02   0.02) =  33.151%  kept
    Distance limit 4.30 A violated in 18 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.967, support = 1.29, residual support = 5.45:
          QB    CYS   50 - HN    ALA   47   4.55 +/- 1.05  59.948% * 68.6119% (0.97   1.44   6.62) =  81.994%  kept
          QE    LYS+  74 - HN    ALA   47   8.58 +/- 3.36  29.909% * 30.0495% (0.98   0.62   0.10) =  17.917%  kept
          HB3   ASP-  78 - HN    ALA   47  11.88 +/- 4.27   7.618% *  0.4804% (0.49   0.02   0.02) =   0.073%
          HB2   PHE   72 - HN    ALA   47  14.49 +/- 1.39   1.902% *  0.2197% (0.22   0.02   0.02) =   0.008%
          HB3   ASN   69 - HN    ALA   47  21.09 +/- 2.10   0.623% *  0.6385% (0.65   0.02   0.02) =   0.008%
    Distance limit 4.05 A violated in 0 structures by 0.23 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 11.0:
          QG2   THR   46 - HN    ALA   47   3.43 +/- 0.66  90.253% * 97.5681% (0.97   3.20  11.05) =  99.946%  kept
          QG2   VAL   18 - HN    ALA   47  12.94 +/- 3.86   3.474% *  0.5662% (0.90   0.02   0.02) =   0.022%
          QG1   VAL   43 - HN    ALA   47  11.20 +/- 1.24   3.449% *  0.4337% (0.69   0.02   0.02) =   0.017%
          QD1   ILE   19 - HN    ALA   47  16.47 +/- 1.98   0.981% *  0.5973% (0.95   0.02   0.02) =   0.007%
          QD2   LEU  104 - HN    ALA   47  18.06 +/- 2.50   0.845% *  0.5274% (0.84   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    ALA   47  16.57 +/- 1.07   0.998% *  0.3073% (0.49   0.02   0.02) =   0.003%
    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 = 2.3, residual support = 10.8:
      O   QB    ALA   47 - HN    ALA   47   2.25 +/- 0.16  92.648% * 99.7622% (0.57  10.0   2.30  10.77) =  99.996%  kept
          QB    ALA   64 - HN    ALA   47  10.86 +/- 2.24   1.384% *  0.1280% (0.73   1.0   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    ALA   47   8.61 +/- 2.51   5.134% *  0.0309% (0.18   1.0   0.02   0.02) =   0.002%
          QG1   VAL   42 - HN    ALA   47  11.12 +/- 0.69   0.834% *  0.0790% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.22, residual support = 34.1:
      O   HB    THR   46 - HN    THR   46   3.54 +/- 0.33  93.081% * 99.3656% (0.25  10.0   3.22  34.15) =  99.982%  kept
          HA    LYS+ 112 - HN    THR   46  11.19 +/- 1.60   4.097% *  0.3045% (0.76   1.0   0.02   0.02) =   0.013%
          HB2   HIS   22 - HN    THR   46  14.75 +/- 2.82   1.966% *  0.1359% (0.34   1.0   0.02   0.02) =   0.003%
          HB2   HIS  122 - HN    THR   46  18.69 +/- 2.47   0.855% *  0.1940% (0.49   1.0   0.02   0.02) =   0.002%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.573, support = 3.46, residual support = 9.92:
          QG2   THR   77 - HN    THR   46   4.20 +/- 2.39  56.033% * 75.1514% (0.61   3.64  10.98) =  90.250%  kept
          HB3   ASP-  44 - HN    THR   46   5.70 +/- 0.92  29.492% * 14.4096% (0.22   1.90   0.17) =   9.108%  kept
          QB    ALA   88 - HN    THR   46  11.23 +/- 2.21   3.354% *  7.8575% (0.95   0.24   0.02) =   0.565%  kept
          HB3   LEU   80 - HN    THR   46   9.41 +/- 1.97   4.676% *  0.2797% (0.41   0.02   0.02) =   0.028%
          HG2   LYS+ 111 - HN    THR   46  14.59 +/- 2.61   2.271% *  0.4401% (0.65   0.02   0.02) =   0.021%
          HB2   LEU   63 - HN    THR   46  11.45 +/- 2.94   2.643% *  0.2100% (0.31   0.02   0.02) =   0.012%
          HB2   LEU   31 - HN    THR   46  17.22 +/- 2.56   0.877% *  0.3852% (0.57   0.02   0.02) =   0.007%
          HG2   LYS+  99 - HN    THR   46  21.07 +/- 1.14   0.386% *  0.6101% (0.90   0.02   0.02) =   0.005%
          HG2   LYS+  38 - HN    THR   46  24.56 +/- 1.35   0.268% *  0.6565% (0.97   0.02   0.02) =   0.004%
    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 = 0.82, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  11.18 +/- 2.06  28.415% * 32.0586% (0.99   0.02   0.02) =  40.792%  kept
          QD1   ILE  119 - HN    THR   46  11.68 +/- 2.19  27.012% * 25.8997% (0.80   0.02   0.02) =  31.329%  kept
          HG3   LYS+ 112 - HN    THR   46  10.03 +/- 1.86  36.528% *  9.9831% (0.31   0.02   0.02) =  16.330%  kept
          HB2   LEU  104 - HN    THR   46  17.31 +/- 2.09   8.045% * 32.0586% (0.99   0.02   0.02) =  11.549%  kept
    Distance limit 4.75 A violated in 19 structures by 3.42 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.34, residual support = 34.1:
          QG2   THR   46 - HN    THR   46   2.57 +/- 0.38  87.835% * 97.3654% (0.97   3.34  34.15) =  99.942%  kept
          QG1   VAL   43 - HN    THR   46   7.89 +/- 1.31   4.157% *  0.5715% (0.95   0.02   0.02) =   0.028%
          QG2   VAL   18 - HN    THR   46  11.41 +/- 3.79   2.229% *  0.6028% (1.00   0.02   0.02) =   0.016%
          QG1   VAL   41 - HN    THR   46  13.47 +/- 1.09   0.712% *  0.4837% (0.80   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    THR   46  14.30 +/- 1.85   0.684% *  0.4150% (0.69   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    THR   46   9.55 +/- 1.88   3.023% *  0.0932% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    THR   46  15.52 +/- 2.37   0.730% *  0.3178% (0.53   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    THR   46  15.15 +/- 2.49   0.631% *  0.1506% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.65, residual support = 1.53:
          QG1   VAL   75 - HN    THR   46   4.61 +/- 2.10  73.686% * 99.0074% (0.92   1.65   1.54) =  99.643%  kept
          QD1   LEU  115 - HN    THR   46   8.49 +/- 1.16  26.314% *  0.9926% (0.76   0.02   0.02) =   0.357%  kept
    Distance limit 4.59 A violated in 2 structures by 0.45 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 3.29, residual support = 27.1:
          HB    THR   94 - HN    PHE   45   3.94 +/- 0.71  68.324% * 94.1909% (0.65   3.30  27.16) =  99.701%  kept
          HA    LYS+  65 - HN    PHE   45  13.13 +/- 4.08  12.763% *  0.8150% (0.92   0.02   0.02) =   0.161%  kept
          QB    SER   48 - HN    PHE   45  10.86 +/- 0.86   3.692% *  0.6747% (0.76   0.02   0.02) =   0.039%
          QB    SER   85 - HN    PHE   45  12.69 +/- 0.68   2.245% *  0.8520% (0.97   0.02   0.02) =   0.030%
          HA    ALA  120 - HN    PHE   45  17.80 +/- 2.11   1.038% *  0.8352% (0.95   0.02   0.02) =   0.013%
          HD2   PRO   52 - HN    PHE   45  12.95 +/- 1.73   2.759% *  0.3012% (0.34   0.02   0.02) =   0.013%
          HA2   GLY   51 - HN    PHE   45  14.77 +/- 1.36   1.667% *  0.4297% (0.49   0.02   0.02) =   0.011%
          HA2   GLY   16 - HN    PHE   45  20.62 +/- 3.77   0.645% *  0.8520% (0.97   0.02   0.02) =   0.009%
          HA    LYS+ 121 - HN    PHE   45  18.10 +/- 2.29   0.977% *  0.4998% (0.57   0.02   0.02) =   0.008%
          QB    SER  117 - HN    PHE   45  13.45 +/- 1.19   2.196% *  0.2201% (0.25   0.02   0.02) =   0.007%
          HA    ALA   88 - HN    PHE   45  12.03 +/- 1.21   2.934% *  0.1546% (0.18   0.02   0.02) =   0.007%
          HA    GLN   32 - HN    PHE   45  19.14 +/- 2.08   0.760% *  0.1747% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.63, residual support = 80.2:
      O   HB2   PHE   45 - HN    PHE   45   3.06 +/- 0.59  96.187% * 99.8561% (0.99  10.0   3.63  80.15) =  99.997%  kept
          QE    LYS+ 111 - HN    PHE   45  13.09 +/- 2.23   1.870% *  0.0988% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   CYS   21 - HN    PHE   45  13.55 +/- 2.49   1.943% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 80.1:
      O   HB3   PHE   45 - HN    PHE   45   3.06 +/- 0.58  79.721% * 99.6079% (0.87  10.0   3.95  80.15) =  99.981%  kept
          QE    LYS+ 112 - HN    PHE   45   8.20 +/- 2.00   8.955% *  0.0996% (0.87   1.0   0.02   0.02) =   0.011%
          HB    VAL  107 - HN    PHE   45   8.44 +/- 0.79   5.274% *  0.0515% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    PHE   45  12.25 +/- 3.35   4.066% *  0.0431% (0.38   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HN    PHE   45  12.30 +/- 0.89   1.551% *  0.0919% (0.80   1.0   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    PHE   45  19.68 +/- 2.50   0.434% *  0.1060% (0.92   1.0   0.02   0.02) =   0.001%
    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 = 0.45, support = 3.7, residual support = 16.3:
          HB3   ASP-  44 - HN    PHE   45   3.83 +/- 0.48  42.512% * 52.4445% (0.49   4.10  18.49) =  79.025%  kept
          QG2   THR   77 - HN    PHE   45   5.87 +/- 1.99  21.356% * 20.8949% (0.31   2.58  10.43) =  15.817%  kept
          HB3   PRO   93 - HN    PHE   45   6.30 +/- 1.20  13.846% *  4.3988% (0.15   1.08   0.02) =   2.159%  kept
          QB    ALA   88 - HN    PHE   45  10.24 +/- 1.57   3.598% * 13.1501% (0.69   0.73   0.02) =   1.677%  kept
          QB    ALA   84 - HN    PHE   45   8.34 +/- 1.48   5.345% *  6.1281% (0.18   1.33   0.61) =   1.161%  kept
          HB2   LEU   63 - HN    PHE   45   9.87 +/- 3.01   4.957% *  0.3188% (0.61   0.02   0.02) =   0.056%
          HB3   LEU   80 - HN    PHE   45   9.77 +/- 1.65   3.376% *  0.3817% (0.73   0.02   0.02) =   0.046%
          HG2   LYS+ 111 - HN    PHE   45  13.66 +/- 2.20   1.370% *  0.4852% (0.92   0.02   0.02) =   0.024%
          HB2   LEU   31 - HN    PHE   45  15.47 +/- 2.35   0.779% *  0.4559% (0.87   0.02   0.02) =   0.013%
          HG2   LYS+  99 - HN    PHE   45  17.66 +/- 0.97   0.469% *  0.5244% (1.00   0.02   0.02) =   0.009%
          HG    LEU   98 - HN    PHE   45  12.60 +/- 1.75   1.783% *  0.1311% (0.25   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HN    PHE   45  21.97 +/- 1.07   0.235% *  0.5072% (0.97   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    PHE   45  19.78 +/- 2.40   0.375% *  0.1793% (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 = 0.844, support = 1.04, residual support = 10.8:
          QD1   ILE   89 - HN    PHE   45   4.49 +/- 1.08  67.284% * 52.7971% (0.80   1.12  13.52) =  75.767%  kept
          QG2   VAL   83 - HN    PHE   45   7.41 +/- 1.14  24.406% * 46.2204% (0.98   0.80   2.12) =  24.059%  kept
          QD2   LEU   31 - HN    PHE   45  10.86 +/- 1.80   8.310% *  0.9824% (0.84   0.02   0.02) =   0.174%  kept
    Distance limit 4.44 A violated in 0 structures by 0.28 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.09, residual support = 12.4:
          HB3   PHE   45 - HN    THR   46   3.94 +/- 0.55  76.122% * 98.4412% (1.00   4.10  12.38) =  99.892%  kept
          QE    LYS+ 112 - HN    THR   46   8.59 +/- 1.75  11.126% *  0.4803% (1.00   0.02   0.02) =   0.071%
          HB    VAL  107 - HN    THR   46  11.70 +/- 1.31   4.236% *  0.3855% (0.80   0.02   0.02) =   0.022%
          HB3   ASP-  86 - HN    THR   46  13.94 +/- 1.66   2.448% *  0.2158% (0.45   0.02   0.02) =   0.007%
          HB3   ASP-  62 - HN    THR   46  13.26 +/- 3.42   4.548% *  0.0652% (0.14   0.02   0.02) =   0.004%
          HG2   GLU-  29 - HN    THR   46  20.32 +/- 3.09   0.846% *  0.2920% (0.61   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    THR   46  20.57 +/- 2.10   0.674% *  0.1200% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.746, residual support = 7.86:
          HN    CYS   50 - HN    CYS   53   4.62 +/- 0.87  98.346% * 77.1198% (0.87  1.00   0.75   7.90) =  99.503%  kept
        T HN    VAL   83 - HN    CYS   53  20.79 +/- 3.34   1.654% * 22.8802% (0.97 10.00   0.02   0.02) =   0.497%  kept
    Distance limit 4.87 A violated in 0 structures by 0.18 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.606, support = 7.18, residual support = 55.7:
      O   HA    PRO   52 - HN    CYS   53   3.45 +/- 0.02  95.740% * 99.8358% (0.61  10.0   7.18  55.67) =  99.993%  kept
          HA    LYS+ 111 - HN    CYS   53  11.92 +/- 3.25   4.260% *  0.1642% (1.00   1.0   0.02   0.02) =   0.007%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.77, residual support = 44.4:
      O   HA    CYS   53 - HN    CYS   53   2.75 +/- 0.05  98.126% * 99.7036% (0.90  10.0   4.77  44.36) =  99.999%  kept
          HA    GLU- 114 - HN    CYS   53  14.54 +/- 2.42   0.859% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  20.09 +/- 3.48   0.405% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  25.16 +/- 3.72   0.172% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.16 +/- 4.49   0.214% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  28.59 +/- 2.72   0.099% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.42 +/- 2.43   0.125% *  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 = 0.351, support = 7.85, residual support = 51.7:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.02  84.555% * 60.8829% (0.34   8.19  55.67) =  92.826%  kept
          HA2   GLY   51 - HN    CYS   53   4.53 +/- 0.19  10.914% * 36.3293% (0.49   3.43   0.24) =   7.150%  kept
          QB    SER   48 - HN    CYS   53   8.76 +/- 1.34   2.095% *  0.3330% (0.76   0.02   0.02) =   0.013%
          HB    THR   94 - HN    CYS   53  13.29 +/- 1.97   0.626% *  0.2818% (0.65   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    CYS   53  18.33 +/- 3.69   0.357% *  0.4121% (0.95   0.02   0.02) =   0.003%
          HA    LYS+  65 - HN    CYS   53  16.90 +/- 3.06   0.322% *  0.4022% (0.92   0.02   0.02) =   0.002%
          QB    SER   85 - HN    CYS   53  20.36 +/- 2.77   0.154% *  0.4205% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    CYS   53  20.40 +/- 3.67   0.246% *  0.2467% (0.57   0.02   0.02) =   0.001%
          QB    SER  117 - HN    CYS   53  14.54 +/- 2.17   0.409% *  0.1086% (0.25   0.02   0.02) =   0.001%
          HA2   GLY   16 - HN    CYS   53  24.39 +/- 4.06   0.102% *  0.4205% (0.97   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    CYS   53  20.58 +/- 3.07   0.173% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.45 +/- 2.33   0.047% *  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 = 0.954, support = 4.98, residual support = 45.1:
      O   HB2   CYS   53 - HN    CYS   53   2.58 +/- 0.38  70.048% * 84.9020% (0.98  10.0   4.91  44.36) =  93.594%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.00  27.325% * 14.8913% (0.57   1.0   6.07  55.67) =   6.404%  kept
          HD2   PRO   58 - HN    CYS   53   9.64 +/- 1.50   2.145% *  0.0560% (0.65   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HN    CYS   53  21.40 +/- 3.36   0.329% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.26 +/- 2.40   0.091% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.33 +/- 2.60   0.063% *  0.0456% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 6.04, residual support = 43.2:
      O   HB3   CYS   53 - HN    CYS   53   2.70 +/- 0.58  67.766% * 77.3978% (0.97  10.0   6.18  44.36) =  95.519%  kept
          HD2   ARG+  54 - HN    CYS   53   6.49 +/- 0.94   8.672% * 15.9702% (0.92   1.0   4.31  31.86) =   2.522%  kept
          QB    PHE   55 - HN    CYS   53   4.87 +/- 0.42  16.697% *  6.4112% (0.97   1.0   1.66   0.02) =   1.950%  kept
          HD3   PRO   93 - HN    CYS   53   9.89 +/- 3.28   2.953% *  0.0800% (1.00   1.0   0.02   0.02) =   0.004%
          HB2   PHE   59 - HN    CYS   53  10.44 +/- 1.94   3.061% *  0.0613% (0.76   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    CYS   53  19.23 +/- 4.13   0.852% *  0.0795% (0.99   1.0   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.686, support = 2.93, residual support = 7.89:
          QB    CYS   50 - HN    CYS   53   4.22 +/- 0.75  75.146% * 98.0287% (0.69   2.93   7.90) =  99.859%  kept
          QE    LYS+  74 - HN    CYS   53  11.86 +/- 3.12   7.141% *  0.7071% (0.73   0.02   0.02) =   0.068%
          HB3   ASP-  78 - HN    CYS   53  16.71 +/- 5.59   3.905% *  0.8134% (0.84   0.02   0.02) =   0.043%
          HB3   HIS  122 - HN    CYS   53  17.71 +/- 4.91  13.059% *  0.1503% (0.15   0.02   0.02) =   0.027%
          HB3   ASN   69 - HN    CYS   53  22.28 +/- 3.51   0.748% *  0.3006% (0.31   0.02   0.02) =   0.003%
    Distance limit 4.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 55.6:
          HG2   PRO   52 - HN    CYS   53   3.11 +/- 0.29  87.174% * 94.9799% (0.25   7.20  55.67) =  99.909%  kept
          HG2   MET   92 - HN    CYS   53  11.34 +/- 4.04   5.539% *  0.8083% (0.76   0.02   0.02) =   0.054%
          QG    GLU- 114 - HN    CYS   53  12.30 +/- 1.91   1.885% *  0.7265% (0.69   0.02   0.02) =   0.017%
          HB2   ASP-  44 - HN    CYS   53  12.55 +/- 1.14   1.633% *  0.2637% (0.25   0.02   0.02) =   0.005%
          HB2   GLU-  79 - HN    CYS   53  18.06 +/- 4.02   0.653% *  0.6415% (0.61   0.02   0.02) =   0.005%
          QB    MET   11 - HN    CYS   53  27.64 +/- 4.98   0.222% *  0.8469% (0.80   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYS   53  17.47 +/- 3.13   1.012% *  0.1852% (0.18   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    CYS   53  15.90 +/- 3.38   1.135% *  0.1431% (0.14   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    CYS   53  23.02 +/- 3.32   0.365% *  0.3608% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  36 - HN    CYS   53  32.83 +/- 2.47   0.094% *  0.8083% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    CYS   53  23.65 +/- 3.59   0.287% *  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 = 0.936, support = 7.01, residual support = 54.3:
          HG3   PRO   52 - HN    CYS   53   4.16 +/- 0.24  53.913% * 90.6579% (0.98   7.20  55.67) =  94.458%  kept
          HB2   ARG+  54 - HN    CYS   53   4.95 +/- 0.47  34.091% *  8.3655% (0.18   3.72  31.86) =   5.511%  kept
          HG2   PRO   58 - HN    CYS   53  11.57 +/- 1.31   2.774% *  0.2517% (0.98   0.02   0.02) =   0.013%
          HB2   PRO   93 - HN    CYS   53   9.71 +/- 2.16   6.417% *  0.1056% (0.41   0.02   0.02) =   0.013%
          HB2   GLU-  14 - HN    CYS   53  26.89 +/- 3.77   0.255% *  0.2563% (1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    CYS   53  21.41 +/- 4.61   0.834% *  0.0714% (0.28   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  17.91 +/- 2.88   1.520% *  0.0348% (0.14   0.02   0.02) =   0.001%
          HG2   MET   11 - HN    CYS   53  31.10 +/- 5.88   0.196% *  0.2568% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.671, support = 7.24, residual support = 53.4:
      O   HB3   PRO   52 - HN    CYS   53   3.82 +/- 0.41  61.948% * 77.7303% (0.65  10.0   7.58  55.67) =  90.372%  kept
          HG2   ARG+  54 - HN    CYS   53   5.44 +/- 0.66  23.880% * 21.4490% (0.90   1.0   3.98  31.86) =   9.613%  kept
          HB    ILE   56 - HN    CYS   53   8.29 +/- 0.81   6.452% *  0.0238% (0.20   1.0   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    CYS   53  18.55 +/- 4.86   1.736% *  0.0777% (0.65   1.0   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    CYS   53  20.42 +/- 4.85   0.870% *  0.1137% (0.95   1.0   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    CYS   53  17.69 +/- 3.54   1.184% *  0.0825% (0.69   1.0   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    CYS   53  17.18 +/- 1.96   1.124% *  0.0680% (0.57   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    CYS   53  18.33 +/- 3.23   0.829% *  0.0729% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    CYS   53  19.83 +/- 2.36   0.566% *  0.1042% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    CYS   53  23.70 +/- 2.31   0.344% *  0.1109% (0.92   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    CYS   53  25.38 +/- 2.23   0.262% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  22.15 +/- 2.62   0.422% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.87 +/- 1.47   0.381% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.774, support = 5.84, residual support = 44.5:
        T HN    GLN   32 - HN    LEU   31   2.60 +/- 0.19  81.714% * 97.0467% (0.78 10.00   5.85  44.66) =  99.533%  kept
          HN    ALA   34 - HN    LEU   31   4.54 +/- 0.30  16.437% *  2.2555% (0.14  1.00   2.52   9.71) =   0.465%  kept
          HN    SER   85 - HN    LEU   31  16.96 +/- 4.11   0.376% *  0.1159% (0.93  1.00   0.02   0.02) =   0.001%
        T HN    GLN   32 - HN    PHE   55  27.21 +/- 2.20   0.082% *  0.4734% (0.38 10.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    PHE   55  12.60 +/- 1.91   0.873% *  0.0141% (0.11  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.05 +/- 2.21   0.293% *  0.0290% (0.23  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  23.17 +/- 2.88   0.136% *  0.0566% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.71 +/- 2.23   0.089% *  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 = 49.0:
        T HN    GLN   30 - HN    LEU   31   2.52 +/- 0.08  81.755% * 78.2634% (0.53 10.00   7.25  51.69) =  94.836%  kept
          HN    GLU-  29 - HN    LEU   31   4.31 +/- 0.18  16.508% * 21.0985% (0.91  1.00   3.11   0.43) =   5.162%  kept
          HN    ASP-  86 - HN    LEU   31  16.00 +/- 4.34   0.458% *  0.0894% (0.60  1.00   0.02   0.02) =   0.001%
        T HN    GLN   30 - HN    PHE   55  25.12 +/- 2.57   0.096% *  0.3818% (0.26 10.00   0.02   0.02) =   0.001%
          HN    VAL   18 - HN    LEU   31  14.20 +/- 1.73   0.520% *  0.0384% (0.26  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  18.75 +/- 3.50   0.450% *  0.0187% (0.13  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  26.49 +/- 3.00   0.085% *  0.0661% (0.44  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  23.62 +/- 2.90   0.127% *  0.0436% (0.29  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.481, support = 3.37, residual support = 21.4:
      O   HA    PHE   55 - HN    PHE   55   2.78 +/- 0.05  78.706% * 98.5651% (0.48  10.0   3.37  21.40) =  99.868%  kept
          HA    TRP   27 - HN    LEU   31   4.64 +/- 0.29  17.757% *  0.5601% (0.13   1.0   0.41  20.58) =   0.128%  kept
          HA    ALA  110 - HN    PHE   55  14.46 +/- 3.44   0.920% *  0.1457% (0.71   1.0   0.02   0.02) =   0.002%
          HA    ALA   91 - HN    PHE   55  16.24 +/- 3.77   0.840% *  0.0668% (0.33   1.0   0.02   0.02) =   0.001%
          HA    GLN   90 - HN    PHE   55  19.03 +/- 3.54   0.343% *  0.1301% (0.64   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    PHE   55  16.46 +/- 1.55   0.416% *  0.0920% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  20.50 +/- 3.62   0.247% *  0.0986% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.07 +/- 1.16   0.187% *  0.0697% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  26.18 +/- 2.46   0.105% *  0.1104% (0.54   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  25.84 +/- 2.68   0.121% *  0.0747% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.73 +/- 2.90   0.169% *  0.0506% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.28 +/- 2.67   0.188% *  0.0362% (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 = 3.04, residual support = 21.1:
      O   QB    PHE   55 - HN    PHE   55   2.06 +/- 0.18  81.976% * 82.2007% (0.79  10.0   3.03  21.40) =  98.053%  kept
          HD2   ARG+  54 - HN    PHE   55   4.91 +/- 0.61   8.371% * 14.0397% (0.69   1.0   3.90   4.18) =   1.710%  kept
          HB3   CYS   53 - HN    PHE   55   5.39 +/- 0.23   5.021% *  3.1719% (0.73   1.0   0.83   0.02) =   0.232%  kept
          HD3   PRO   93 - HN    PHE   55  11.60 +/- 4.22   2.109% *  0.0828% (0.79   1.0   0.02   0.02) =   0.003%
          HB2   PHE   59 - HN    PHE   55   8.78 +/- 1.38   1.419% *  0.0693% (0.66   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    LEU   31  17.06 +/- 2.97   0.425% *  0.0628% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  18.32 +/- 4.25   0.314% *  0.0829% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.18 +/- 2.20   0.091% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.80 +/- 2.80   0.078% *  0.0580% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.63 +/- 2.28   0.072% *  0.0627% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  22.83 +/- 2.21   0.068% *  0.0623% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  26.13 +/- 3.96   0.056% *  0.0545% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.331, support = 3.61, residual support = 9.12:
      O   HA    ARG+  54 - HN    PHE   55   3.51 +/- 0.03  38.821% * 65.2373% (0.25  10.0   3.27   4.18) =  66.281%  kept
          HA    ASN   28 - HN    LEU   31   3.38 +/- 0.17  43.539% * 29.0305% (0.50   1.0   4.34  19.20) =  33.079%  kept
          HA    THR   26 - HN    LEU   31   6.66 +/- 0.29   5.821% *  3.8840% (0.39   1.0   0.75   0.02) =   0.592%  kept
          HA    ALA   34 - HN    LEU   31   6.83 +/- 0.41   5.554% *  0.1545% (0.58   1.0   0.02   9.71) =   0.022%
          HA1   GLY  101 - HN    LEU   31  12.85 +/- 5.57   3.033% *  0.1598% (0.60   1.0   0.02   0.02) =   0.013%
          HA    LEU  115 - HN    PHE   55  12.36 +/- 1.29   0.995% *  0.1833% (0.69   1.0   0.02   3.66) =   0.005%
          HA    GLU- 114 - HN    PHE   55  13.55 +/- 2.06   0.824% *  0.1999% (0.75   1.0   0.02   0.02) =   0.004%
          HA    ASN   28 - HN    PHE   55  24.73 +/- 2.85   0.145% *  0.1765% (0.66   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    LEU   31  21.88 +/- 2.19   0.174% *  0.1389% (0.52   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    PHE   55  26.42 +/- 2.48   0.104% *  0.2040% (0.77   1.0   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    PHE   55  28.72 +/- 3.29   0.087% *  0.2109% (0.79   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.07 +/- 3.34   0.124% *  0.1367% (0.51   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.55 +/- 2.35   0.109% *  0.1515% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  22.41 +/- 3.80   0.251% *  0.0471% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.42 +/- 6.52   0.247% *  0.0356% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  23.53 +/- 3.10   0.171% *  0.0494% (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 = 7.14, residual support = 231.3:
      O   HA    LEU   31 - HN    LEU   31   2.81 +/- 0.06  99.837% * 99.9512% (0.60  10.0   7.14 231.30) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  24.62 +/- 2.15   0.163% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.501, support = 5.95, residual support = 42.7:
          HB2   GLN   30 - HN    LEU   31   3.58 +/- 0.30  34.085% * 34.0943% (0.48   6.16  51.69) =  48.165%  kept
          HG3   GLN   30 - HN    LEU   31   4.88 +/- 0.62  16.052% * 49.3880% (0.60   7.21  51.69) =  32.859%  kept
          HB2   ARG+  54 - HN    PHE   55   3.65 +/- 0.41  31.526% * 14.4645% (0.39   3.26   4.18) =  18.900%  kept
          HB3   PRO   68 - HN    LEU   31  18.20 +/- 4.39   7.605% *  0.1199% (0.52   0.02   0.02) =   0.038%
          HB2   LYS+ 111 - HN    PHE   55  12.46 +/- 3.77   1.561% *  0.1033% (0.45   0.02   0.02) =   0.007%
          HB    ILE  119 - HN    PHE   55  13.04 +/- 1.98   1.030% *  0.1461% (0.64   0.02   0.02) =   0.006%
          HB3   GLU- 100 - HN    LEU   31  14.04 +/- 3.90   0.923% *  0.1199% (0.52   0.02   0.02) =   0.005%
          HB3   PRO   68 - HN    PHE   55  19.99 +/- 4.74   0.590% *  0.1583% (0.69   0.02   0.02) =   0.004%
          HB2   PRO   93 - HN    PHE   55  10.91 +/- 2.86   1.971% *  0.0406% (0.18   0.02   0.02) =   0.003%
          QB    GLU-  15 - HN    LEU   31  13.32 +/- 3.25   0.897% *  0.0673% (0.29   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31  10.27 +/- 0.35   1.400% *  0.0427% (0.19   0.02   0.02) =   0.002%
          HB2   GLN   17 - HN    LEU   31  15.45 +/- 2.41   0.463% *  0.0673% (0.29   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    PHE   55  18.33 +/- 2.40   0.288% *  0.1033% (0.45   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   55  20.82 +/- 3.80   0.301% *  0.0888% (0.39   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    PHE   55  24.00 +/- 2.57   0.124% *  0.1809% (0.79   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    PHE   55  23.33 +/- 2.25   0.132% *  0.1461% (0.64   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LEU   31  23.40 +/- 3.90   0.149% *  0.1107% (0.48   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    PHE   55  23.21 +/- 3.42   0.167% *  0.0888% (0.39   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    PHE   55  29.35 +/- 3.22   0.080% *  0.1583% (0.69   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LEU   31  22.08 +/- 1.86   0.146% *  0.0783% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  24.98 +/- 3.40   0.125% *  0.0673% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.68 +/- 2.21   0.082% *  0.0783% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  26.85 +/- 4.35   0.109% *  0.0563% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.83 +/- 2.68   0.192% *  0.0308% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.14, residual support = 231.3:
      O   HB2   LEU   31 - HN    LEU   31   2.61 +/- 0.19  82.910% * 98.5368% (0.78  10.0   7.14 231.30) =  99.986%  kept
          HB2   LEU   63 - HN    PHE   55  11.84 +/- 3.03   3.132% *  0.0570% (0.45   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LEU   31  11.74 +/- 3.52   1.507% *  0.1023% (0.81   1.0   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    LEU   31  12.99 +/- 4.43   1.041% *  0.1116% (0.88   1.0   0.02   0.37) =   0.001%
          HB3   PRO   93 - HN    PHE   55  10.44 +/- 2.83   2.377% *  0.0418% (0.33   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   55  12.91 +/- 4.34   2.168% *  0.0440% (0.35   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LEU   31  14.25 +/- 2.00   0.675% *  0.1177% (0.93   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   31  14.35 +/- 3.36   0.679% *  0.0902% (0.71   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   31  16.89 +/- 2.63   0.429% *  0.1169% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    PHE   55  12.83 +/- 1.28   0.835% *  0.0574% (0.45   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    LEU   31  12.35 +/- 1.47   0.974% *  0.0443% (0.35   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   31  23.29 +/- 5.96   0.372% *  0.1116% (0.88   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    LEU   31  14.39 +/- 2.55   0.673% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  19.03 +/- 3.27   0.334% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.85 +/- 2.59   0.206% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  17.07 +/- 2.36   0.376% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.46 +/- 2.75   0.214% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.98 +/- 2.83   0.096% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.23 +/- 2.33   0.344% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  23.23 +/- 3.10   0.161% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.60 +/- 2.26   0.100% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.20 +/- 3.64   0.133% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  20.31 +/- 1.55   0.199% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  30.14 +/- 3.58   0.064% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.14, residual support = 231.3:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.04  67.005% * 99.4260% (0.83  10.0   7.14 231.30) =  99.984%  kept
          QB    ALA   20 - HN    LEU   31  10.69 +/- 0.87   2.645% *  0.0994% (0.83   1.0   0.02   0.02) =   0.004%
          HD3   LYS+ 112 - HN    PHE   55   8.34 +/- 2.56  15.090% *  0.0167% (0.14   1.0   0.02   0.12) =   0.004%
          HG13  ILE  119 - HN    PHE   55  11.79 +/- 2.01   2.783% *  0.0499% (0.42   1.0   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    LEU   31   8.84 +/- 0.45   4.425% *  0.0247% (0.21   1.0   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    PHE   55  15.62 +/- 3.75   1.901% *  0.0485% (0.41   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    LEU   31  21.49 +/- 3.66   0.514% *  0.1023% (0.86   1.0   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    PHE   55  11.93 +/- 1.73   2.034% *  0.0167% (0.14   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    PHE   55  19.33 +/- 3.23   0.878% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  24.12 +/- 4.77   0.368% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.28 +/- 1.09   0.603% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  19.31 +/- 4.70   1.228% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  23.12 +/- 3.52   0.317% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  24.93 +/- 2.15   0.209% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.624, support = 7.18, residual support = 207.1:
          HG    LEU   31 - HN    LEU   31   2.41 +/- 0.43  62.506% * 63.2545% (0.64   7.69 231.30) =  88.578%  kept
          QD1   ILE   56 - HN    PHE   55   4.03 +/- 0.99  19.894% * 20.9783% (0.45   3.62  22.92) =   9.350%  kept
          QD2   LEU   73 - HN    LEU   31   6.70 +/- 2.60   6.107% * 15.0445% (0.78   1.50   1.62) =   2.058%  kept
          QG1   VAL   41 - HN    LEU   31   6.03 +/- 2.16   9.869% *  0.0420% (0.16   0.02   0.02) =   0.009%
          QD2   LEU   73 - HN    PHE   55  15.18 +/- 3.03   0.658% *  0.0976% (0.38   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   31  18.35 +/- 1.65   0.190% *  0.2375% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LEU   31  23.41 +/- 4.70   0.179% *  0.1646% (0.64   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    PHE   55  19.17 +/- 3.05   0.337% *  0.0803% (0.31   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    PHE   55  23.59 +/- 2.39   0.103% *  0.0803% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.51 +/- 1.72   0.156% *  0.0205% (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 = 6.89, residual support = 231.2:
          QD2   LEU   31 - HN    LEU   31   2.23 +/- 0.51  96.729% * 97.7485% (0.18   6.89 231.30) =  99.957%  kept
          QG2   VAL   43 - HN    LEU   31   8.57 +/- 2.94   2.650% *  1.4203% (0.92   0.02   0.02) =   0.040%
          QG2   VAL   43 - HN    PHE   55  15.70 +/- 1.23   0.382% *  0.6928% (0.45   0.02   0.02) =   0.003%
          QD2   LEU   31 - HN    PHE   55  19.17 +/- 2.03   0.238% *  0.1383% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.653, support = 1.55, residual support = 1.35:
          QD1   LEU   73 - HN    LEU   31   5.99 +/- 2.40  30.430% * 50.6071% (0.60   1.90   1.62) =  72.670%  kept
          QD2   LEU   80 - HN    LEU   31   8.98 +/- 4.21  12.814% * 31.4952% (0.90   0.79   0.37) =  19.044%  kept
          QG1   VAL   83 - HN    LEU   31   9.90 +/- 3.95  10.230% *  9.7985% (0.60   0.37   0.02) =   4.730%  kept
          QD2   LEU  115 - HN    PHE   55   8.00 +/- 1.57  13.759% *  4.4030% (0.43   0.23   3.66) =   2.859%  kept
          QD1   LEU  104 - HN    LEU   31  13.28 +/- 2.49   5.600% *  0.8169% (0.92   0.02   0.02) =   0.216%  kept
          QD1   LEU   63 - HN    LEU   31  13.94 +/- 2.51   7.971% *  0.5331% (0.60   0.02   0.02) =   0.201%  kept
          QD1   LEU   63 - HN    PHE   55  10.24 +/- 2.51  10.793% *  0.2601% (0.29   0.02   0.02) =   0.132%  kept
          QD2   LEU  115 - HN    LEU   31  17.89 +/- 1.74   1.249% *  0.7796% (0.88   0.02   0.02) =   0.046%
          QD1   LEU   73 - HN    PHE   55  15.92 +/- 3.38   3.456% *  0.2601% (0.29   0.02   0.02) =   0.042%
          QD2   LEU   80 - HN    PHE   55  17.96 +/- 2.23   1.517% *  0.3880% (0.44   0.02   0.02) =   0.028%
          QG1   VAL   83 - HN    PHE   55  18.63 +/- 2.69   1.445% *  0.2601% (0.29   0.02   0.02) =   0.018%
          QD1   LEU  104 - HN    PHE   55  19.75 +/- 3.22   0.735% *  0.3985% (0.45   0.02   0.02) =   0.014%
    Distance limit 4.84 A violated in 0 structures by 0.36 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.667, support = 8.19, residual support = 51.2:
          HB3   GLN   30 - HN    LEU   31   3.05 +/- 0.27  77.832% * 88.1130% (0.68   8.26  51.69) =  98.351%  kept
          HB    ILE   56 - HN    PHE   55   6.10 +/- 0.48  11.183% * 10.1564% (0.17   3.78  22.92) =   1.629%  kept
          HB3   PRO   58 - HN    PHE   55  10.61 +/- 1.04   2.190% *  0.1405% (0.44   0.02   0.02) =   0.004%
          HB2   MET   92 - HN    PHE   55  13.58 +/- 4.15   2.073% *  0.1243% (0.39   0.02   0.02) =   0.004%
          HB3   LYS+  38 - HN    LEU   31  13.03 +/- 0.96   1.518% *  0.1545% (0.49   0.02   0.02) =   0.003%
          HB3   GLU-  14 - HN    LEU   31  15.57 +/- 3.86   1.605% *  0.1102% (0.35   0.02   0.02) =   0.003%
          HG3   MET   11 - HN    LEU   31  19.88 +/- 5.47   0.910% *  0.1663% (0.53   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    LEU   31  22.48 +/- 2.54   0.278% *  0.2879% (0.91   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    LEU   31  23.01 +/- 2.43   0.200% *  0.2548% (0.81   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    LEU   31  14.29 +/- 2.90   0.906% *  0.0453% (0.14   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LEU   31  23.00 +/- 1.98   0.233% *  0.1102% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.29 +/- 2.33   0.215% *  0.1041% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  26.52 +/- 4.18   0.211% *  0.0538% (0.17   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.75 +/- 1.61   0.421% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  31.44 +/- 5.46   0.109% *  0.0811% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  29.16 +/- 3.64   0.116% *  0.0754% (0.24   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 = 0.556, support = 6.0, residual support = 42.0:
          HG2   GLN   30 - HN    LEU   31   4.91 +/- 0.48  48.336% * 68.3575% (0.49   7.54  51.69) =  70.066%  kept
          HB3   ASN   28 - HN    LEU   31   5.04 +/- 0.16  45.009% * 31.3563% (0.71   2.38  19.20) =  29.928%  kept
          QE    LYS+ 121 - HN    PHE   55  16.83 +/- 3.47   5.075% *  0.0227% (0.06   0.02   0.02) =   0.002%
          HB3   ASN   28 - HN    PHE   55  26.88 +/- 3.07   0.382% *  0.1284% (0.35   0.02   0.02) =   0.001%
          HG2   GLN   30 - HN    PHE   55  23.89 +/- 2.25   0.464% *  0.0884% (0.24   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    LEU   31  21.00 +/- 3.66   0.735% *  0.0466% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.637, support = 6.64, residual support = 51.5:
      O   HA    GLN   30 - HN    LEU   31   3.57 +/- 0.03  55.886% * 98.0713% (0.64  10.0   6.66  51.69) =  99.658%  kept
          HB2   CYS   53 - HN    PHE   55   5.08 +/- 0.23  19.667% *  0.8662% (0.13   1.0   0.89   0.02) =   0.310%  kept
          HD3   PRO   52 - HN    PHE   55   6.41 +/- 0.51  10.311% *  0.0532% (0.35   1.0   0.02   0.41) =   0.010%
          HB    THR   39 - HN    LEU   31   9.41 +/- 1.34   3.703% *  0.1037% (0.68   1.0   0.02   0.02) =   0.007%
          QB    SER   13 - HN    LEU   31  15.47 +/- 4.46   2.886% *  0.1091% (0.71   1.0   0.02   0.02) =   0.006%
          HB3   SER   37 - HN    LEU   31  10.30 +/- 1.16   2.668% *  0.0808% (0.53   1.0   0.02   0.02) =   0.004%
          HB3   SER   82 - HN    LEU   31  14.99 +/- 4.64   1.137% *  0.1399% (0.91   1.0   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    LEU   31  18.96 +/- 2.97   0.426% *  0.0808% (0.53   1.0   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    PHE   55  18.64 +/- 2.55   0.486% *  0.0394% (0.26   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.56 +/- 3.07   0.163% *  0.1091% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.75 +/- 1.47   1.143% *  0.0155% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  25.36 +/- 3.52   0.207% *  0.0683% (0.44   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  24.82 +/- 3.59   0.209% *  0.0532% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.91 +/- 2.78   0.275% *  0.0397% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.39 +/- 3.05   0.333% *  0.0318% (0.21   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  24.89 +/- 3.13   0.203% *  0.0506% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  25.69 +/- 2.22   0.165% *  0.0478% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.67 +/- 3.37   0.130% *  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 = 6.58, residual support = 169.9:
      O   HA    ARG+  54 - HN    ARG+  54   2.76 +/- 0.07  86.957% * 99.0002% (0.61  10.0   6.58 169.89) =  99.994%  kept
          HA    LEU  115 - HN    ARG+  54  13.31 +/- 1.71   0.918% *  0.1527% (0.94   1.0   0.02   0.02) =   0.002%
          HA    ARG+  54 - HN    ASP-  62   9.56 +/- 2.58   5.509% *  0.0185% (0.11   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    ASP-  62  10.72 +/- 1.66   2.271% *  0.0286% (0.18   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    ARG+  54  14.82 +/- 1.74   0.644% *  0.0990% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    ARG+  54  24.02 +/- 3.06   0.185% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  23.66 +/- 3.97   0.239% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.24 +/- 2.76   0.118% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  13.92 +/- 1.45   0.794% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.81 +/- 3.64   0.098% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  18.71 +/- 2.08   0.334% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  19.39 +/- 2.28   0.310% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  20.03 +/- 3.28   0.299% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.18 +/- 3.36   0.156% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.48 +/- 3.74   0.303% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  17.41 +/- 1.41   0.375% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  20.51 +/- 2.35   0.264% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  20.78 +/- 2.27   0.226% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.1, residual support = 85.9:
      O   HB2   TRP   49 - HN    TRP   49   3.61 +/- 0.27  93.061% * 99.6106% (0.98  10.0   4.10  85.92) =  99.993%  kept
          HA2   GLY  109 - HN    TRP   49  17.47 +/- 4.37   3.673% *  0.0911% (0.90   1.0   0.02   0.02) =   0.004%
          HA    ALA   84 - HN    TRP   49  15.29 +/- 2.34   1.773% *  0.1007% (0.99   1.0   0.02   0.02) =   0.002%
          HA    ILE  119 - HN    TRP   49  19.23 +/- 3.00   0.919% *  0.0961% (0.95   1.0   0.02   0.02) =   0.001%
          HA    THR  118 - HN    TRP   49  20.84 +/- 2.30   0.573% *  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 = 2.5, residual support = 15.1:
          QB    ALA   47 - HE1   TRP   49   3.72 +/- 1.77  49.434% * 98.5439% (1.00   2.51  15.14) =  99.568%  kept
          HG2   LYS+ 112 - HE1   TRP   49   8.92 +/- 4.64  28.716% *  0.5407% (0.69   0.02   0.02) =   0.317%  kept
          QB    ALA   64 - HE1   TRP   49  13.22 +/- 3.97  18.177% *  0.1558% (0.20   0.02   0.02) =   0.058%
          QG1   VAL   42 - HE1   TRP   49  13.53 +/- 2.65   3.673% *  0.7596% (0.97   0.02   0.02) =   0.057%
    Distance limit 4.60 A violated in 1 structures by 0.17 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 3.69, residual support = 15.1:
          QB    ALA   47 - HN    TRP   49   2.58 +/- 0.35  91.765% * 97.9336% (1.00   3.70  15.14) =  99.887%  kept
          HG2   LYS+ 112 - HN    TRP   49  10.80 +/- 3.39   6.758% *  1.4488% (0.69   0.08   0.02) =   0.109%  kept
          QG1   VAL   42 - HN    TRP   49  14.14 +/- 1.32   0.624% *  0.5125% (0.97   0.02   0.02) =   0.004%
          QB    ALA   64 - HN    TRP   49  13.23 +/- 2.57   0.853% *  0.1051% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.883, support = 0.185, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   5.71 +/- 1.84  58.374% * 73.4739% (0.90   0.19   0.02) =  95.944%  kept
          HD3   PRO   52 - HN    ALA   47   8.25 +/- 1.84  28.765% *  3.5046% (0.41   0.02   0.02) =   2.255%  kept
          HD2   PRO   58 - HN    ALA   47  12.78 +/- 2.56   6.819% *  6.8261% (0.80   0.02   0.02) =   1.041%  kept
          HA    VAL   83 - HN    ALA   47  15.95 +/- 2.35   3.352% *  6.1902% (0.73   0.02   0.02) =   0.464%  kept
          HA    GLU- 100 - HN    ALA   47  25.19 +/- 1.80   1.207% *  5.8557% (0.69   0.02   0.02) =   0.158%  kept
          HA    GLN   30 - HN    ALA   47  21.80 +/- 2.21   1.483% *  4.1494% (0.49   0.02   0.02) =   0.138%  kept
    Distance limit 4.50 A violated in 6 structures by 1.07 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.11, residual support = 39.3:
      O   HB2   ASP-  44 - HN    ASP-  44   2.86 +/- 0.39  85.897% * 96.2525% (0.87  10.0   3.12  39.45) =  99.705%  kept
          HB3   PHE   72 - HN    ASP-  44   7.10 +/- 1.34   7.283% *  3.2974% (0.76   1.0   0.78   0.02) =   0.290%  kept
          QG    GLN   90 - HN    ASP-  44  12.64 +/- 1.45   1.847% *  0.0762% (0.69   1.0   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    ASP-  44  15.57 +/- 3.18   0.776% *  0.1050% (0.95   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    ASP-  44  16.79 +/- 3.66   0.746% *  0.0927% (0.84   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    ASP-  44  21.37 +/- 5.38   0.538% *  0.0995% (0.90   1.0   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    ASP-  44  13.11 +/- 2.39   1.325% *  0.0379% (0.34   1.0   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ASP-  44  12.66 +/- 1.51   1.289% *  0.0194% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.48 +/- 1.43   0.298% *  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 = 0.854, support = 1.23, residual support = 3.74:
          HB2   LEU   73 - HN    ASP-  44   7.13 +/- 1.73  32.071% * 88.6300% (0.87   1.26   3.86) =  96.754%  kept
          HB    ILE   89 - HN    ASP-  44   9.61 +/- 1.25  14.711% *  2.9204% (0.15   0.23   0.02) =   1.462%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.40 +/- 1.48   8.568% *  1.5860% (0.98   0.02   0.02) =   0.463%  kept
          QG1   ILE   56 - HN    ASP-  44  11.18 +/- 1.38  10.125% *  0.9814% (0.61   0.02   0.02) =   0.338%  kept
          HB3   MET   92 - HN    ASP-  44  11.82 +/- 1.03   7.628% *  1.1749% (0.73   0.02   0.02) =   0.305%  kept
          QD    LYS+  99 - HN    ASP-  44  13.58 +/- 1.30   4.628% *  1.6037% (0.99   0.02   0.02) =   0.253%  kept
          HG3   PRO   93 - HN    ASP-  44  11.91 +/- 1.59   8.878% *  0.4994% (0.31   0.02   0.02) =   0.151%  kept
          HB3   LYS+  99 - HN    ASP-  44  13.65 +/- 1.12   4.415% *  0.7876% (0.49   0.02   0.02) =   0.118%  kept
          HD2   LYS+ 111 - HN    ASP-  44  17.85 +/- 2.37   2.039% *  0.9814% (0.61   0.02   0.02) =   0.068%
          QD    LYS+ 102 - HN    ASP-  44  15.30 +/- 1.94   4.644% *  0.2834% (0.18   0.02   0.02) =   0.045%
          HB2   LEU  123 - HN    ASP-  44  19.23 +/- 2.81   2.293% *  0.5519% (0.34   0.02   0.02) =   0.043%
    Distance limit 4.64 A violated in 12 structures by 1.67 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.567, support = 1.15, residual support = 5.04:
          HB2   LYS+  74 - HN    ASP-  44   7.53 +/- 1.86  30.519% * 62.7481% (0.65   1.16   5.16) =  74.919%  kept
          HD3   LYS+  74 - HN    ASP-  44   8.80 +/- 2.20  19.959% * 29.1372% (0.28   1.25   5.16) =  22.752%  kept
          HG2   LYS+  65 - HN    ASP-  44  12.51 +/- 3.13  10.345% *  1.5825% (0.95   0.02   0.02) =   0.640%  kept
          QG2   THR   26 - HN    ASP-  44  11.64 +/- 2.42  10.158% *  1.5003% (0.90   0.02   0.02) =   0.596%  kept
          QD    LYS+  66 - HN    ASP-  44  13.23 +/- 2.11   6.000% *  1.5003% (0.90   0.02   0.02) =   0.352%  kept
          HG    LEU  104 - HN    ASP-  44  13.52 +/- 2.07  10.023% *  0.6877% (0.41   0.02   0.02) =   0.270%  kept
          HD2   LYS+ 121 - HN    ASP-  44  16.27 +/- 2.39   4.039% *  1.6398% (0.98   0.02   0.02) =   0.259%  kept
          HB3   LYS+ 121 - HN    ASP-  44  16.47 +/- 3.22   4.552% *  0.6877% (0.41   0.02   0.02) =   0.122%  kept
          HB3   LYS+ 111 - HN    ASP-  44  15.73 +/- 1.79   4.405% *  0.5163% (0.31   0.02   0.02) =   0.089%
    Distance limit 4.78 A violated in 14 structures by 1.87 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.9, residual support = 39.4:
      O   HB3   ASP-  44 - HN    ASP-  44   3.22 +/- 0.52  68.366% * 99.1884% (0.99  10.0   3.90  39.45) =  99.964%  kept
          HB2   LEU   63 - HN    ASP-  44   9.01 +/- 2.55   7.228% *  0.0947% (0.95   1.0   0.02   0.02) =   0.010%
          HB3   LEU   80 - HN    ASP-  44   9.08 +/- 1.98   5.176% *  0.0868% (0.87   1.0   0.02   0.02) =   0.007%
          QB    ALA   84 - HN    ASP-  44   9.51 +/- 1.78   4.927% *  0.0868% (0.87   1.0   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    ASP-  44   9.84 +/- 1.72   3.800% *  0.0836% (0.84   1.0   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    ASP-  44  10.65 +/- 1.71   2.590% *  0.0947% (0.95   1.0   0.02   0.02) =   0.004%
          HB2   LEU   31 - HN    ASP-  44  12.34 +/- 2.32   1.554% *  0.0727% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    ASP-  44  11.37 +/- 1.69   2.269% *  0.0278% (0.28   1.0   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    ASP-  44  19.34 +/- 2.97   0.466% *  0.0992% (0.99   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  44  17.00 +/- 2.22   0.641% *  0.0647% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    ASP-  44  15.36 +/- 1.07   0.761% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  13.71 +/- 2.11   1.161% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.56 +/- 1.02   0.425% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  16.57 +/- 1.28   0.636% *  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 = 4.71, residual support = 16.1:
          QG1   VAL   43 - HN    ASP-  44   4.00 +/- 0.65  48.127% * 90.9484% (0.90   4.80  16.45) =  98.128%  kept
          QG2   THR   46 - HN    ASP-  44   5.79 +/- 0.77  19.644% *  1.9292% (0.99   0.09   0.17) =   0.850%  kept
          QG1   VAL   41 - HN    ASP-  44   8.42 +/- 0.89   5.951% *  5.0033% (0.73   0.33   0.02) =   0.667%  kept
          QD2   LEU  104 - HN    ASP-  44  11.26 +/- 2.37   7.404% *  1.2910% (0.61   0.10   0.02) =   0.214%  kept
          QG2   VAL   18 - HN    ASP-  44   8.92 +/- 3.56  11.528% *  0.4216% (1.00   0.02   0.02) =   0.109%  kept
          QD1   ILE   19 - HN    ASP-  44  10.73 +/- 2.06   3.392% *  0.3229% (0.76   0.02   0.02) =   0.025%
          HG    LEU   31 - HN    ASP-  44  10.27 +/- 2.25   3.953% *  0.0836% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.636, support = 3.79, residual support = 15.9:
          QG2   VAL   43 - HN    ASP-  44   3.44 +/- 0.41  64.381% * 83.7288% (0.65   3.90  16.45) =  96.522%  kept
          QG2   VAL   83 - HN    ASP-  44   7.10 +/- 1.39  12.317% *  6.7350% (0.31   0.66   0.02) =   1.485%  kept
          QD1   ILE   89 - HN    ASP-  44   6.42 +/- 1.21  14.669% *  4.7942% (0.14   1.07   0.02) =   1.259%  kept
          QD2   LEU   31 - HN    ASP-  44   8.08 +/- 1.96   8.633% *  4.7420% (0.76   0.19   0.02) =   0.733%  kept
    Distance limit 3.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.521, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.10 +/- 0.36  72.858% * 36.5033% (0.53   0.02   0.02) =  75.496%  kept
          HA    ASP-  78 - HN    VAL   43  15.02 +/- 1.61  13.645% * 42.0822% (0.61   0.02   0.02) =  16.299%  kept
          HA    THR   23 - HN    VAL   43  15.64 +/- 2.65  13.497% * 21.4145% (0.31   0.02   0.02) =   8.205%  kept
    Distance limit 4.68 A violated in 20 structures by 3.33 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 = 15.2:
          HA    MET   96 - HN    VAL   43   5.26 +/- 1.00 100.000% *100.0000% (0.53   1.50  15.25) = 100.000%  kept
    Distance limit 4.68 A violated in 3 structures by 0.68 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 2.95, residual support = 15.2:
          HB2   MET   96 - HN    VAL   43   3.19 +/- 1.07  77.632% * 94.0349% (0.97   2.96  15.25) =  99.643%  kept
          HB3   ASP-  76 - HN    VAL   43  12.25 +/- 1.73   4.873% *  3.7887% (0.49   0.24   0.02) =   0.252%  kept
          HB    VAL   70 - HN    VAL   43   8.81 +/- 1.47   7.342% *  0.5910% (0.90   0.02   0.02) =   0.059%
          QG    GLN   17 - HN    VAL   43  14.81 +/- 3.24   2.036% *  0.5505% (0.84   0.02   0.02) =   0.015%
          HB2   ASP- 105 - HN    VAL   43   9.51 +/- 1.34   4.893% *  0.1832% (0.28   0.02   0.02) =   0.012%
          HG2   GLU- 100 - HN    VAL   43  13.70 +/- 1.23   1.834% *  0.3731% (0.57   0.02   0.02) =   0.009%
          HB2   GLU-  25 - HN    VAL   43  17.52 +/- 2.70   1.390% *  0.4785% (0.73   0.02   0.02) =   0.009%
    Distance limit 4.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.22, residual support = 60.9:
      O   HB    VAL   43 - HN    VAL   43   2.78 +/- 0.52  93.703% * 99.7821% (0.87  10.0   4.22  60.88) =  99.997%  kept
          HB2   LYS+  99 - HN    VAL   43  10.64 +/- 0.97   1.987% *  0.0879% (0.76   1.0   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    VAL   43  15.59 +/- 2.03   0.735% *  0.0921% (0.80   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    VAL   43  10.01 +/- 1.09   2.832% *  0.0201% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    VAL   43  16.57 +/- 3.34   0.744% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.805, support = 5.14, residual support = 35.7:
          HB    VAL   42 - HN    VAL   43   4.32 +/- 0.34  28.512% * 71.8901% (0.84   5.68  39.75) =  87.753%  kept
          HB3   LEU   73 - HN    VAL   43   8.88 +/- 2.76  11.877% * 11.6513% (0.90   0.86   2.76) =   5.924%  kept
          HB3   ASP-  44 - HN    VAL   43   6.37 +/- 0.46   9.909% *  9.1057% (0.25   2.41  16.45) =   3.863%  kept
          HG    LEU   98 - HN    VAL   43   6.90 +/- 1.70  13.239% *  2.3651% (0.49   0.32   0.02) =   1.341%  kept
          QB    LEU   98 - HN    VAL   43   5.36 +/- 0.87  17.639% *  1.0044% (0.18   0.38   0.02) =   0.758%  kept
          QB    ALA   84 - HN    VAL   43  10.49 +/- 1.95   2.221% *  2.1479% (0.61   0.23   0.02) =   0.204%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.34 +/- 1.84   6.619% *  0.3023% (1.00   0.02   0.02) =   0.086%
          HG3   LYS+ 102 - HN    VAL   43  12.78 +/- 1.24   1.216% *  0.2797% (0.92   0.02   0.02) =   0.015%
          HB3   PRO   93 - HN    VAL   43  12.04 +/- 1.67   1.706% *  0.1960% (0.65   0.02   0.02) =   0.014%
          HB2   LYS+ 112 - HN    VAL   43  15.21 +/- 2.31   0.840% *  0.2924% (0.97   0.02   0.02) =   0.011%
          HG3   LYS+  33 - HN    VAL   43  14.18 +/- 2.11   0.970% *  0.2315% (0.76   0.02   0.02) =   0.010%
          HG3   LYS+  65 - HN    VAL   43  14.72 +/- 2.22   0.841% *  0.2531% (0.84   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    VAL   43  10.40 +/- 2.15   3.408% *  0.0531% (0.18   0.02   0.02) =   0.008%
          QB    ALA  124 - HN    VAL   43  18.69 +/- 3.87   0.620% *  0.1137% (0.38   0.02   0.02) =   0.003%
          QB    ALA   12 - HN    VAL   43  20.16 +/- 3.83   0.383% *  0.1137% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.885, support = 5.18, residual support = 57.4:
          QG1   VAL   43 - HN    VAL   43   2.53 +/- 0.68  68.280% * 65.3038% (0.90   5.36  60.88) =  94.250%  kept
          QG1   VAL   41 - HN    VAL   43   6.47 +/- 0.57   7.224% * 28.2183% (0.73   2.86   1.44) =   4.309%  kept
          QD2   LEU  104 - HN    VAL   43   8.10 +/- 2.23  16.398% *  3.7130% (0.61   0.45   0.02) =   1.287%  kept
          HG    LEU   31 - HN    VAL   43   9.34 +/- 2.59   2.977% *  2.0167% (0.20   0.75   0.02) =   0.127%  kept
          QG2   THR   46 - HN    VAL   43   8.68 +/- 0.77   2.580% *  0.2693% (0.99   0.02   0.02) =   0.015%
          QG2   VAL   18 - HN    VAL   43  10.83 +/- 3.01   1.212% *  0.2711% (1.00   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    VAL   43  11.67 +/- 2.11   1.330% *  0.2077% (0.76   0.02   0.02) =   0.006%
    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 = 0.698, support = 2.02, residual support = 1.54:
          QG2   VAL   41 - HN    VAL   43   5.21 +/- 0.88  20.350% * 82.9520% (0.73   2.22   1.44) =  88.638%  kept
          QD1   LEU   73 - HN    VAL   43   7.40 +/- 2.10  12.794% * 14.1527% (0.45   0.61   2.76) =   9.508%  kept
          QD2   LEU   98 - HN    VAL   43   5.14 +/- 1.59  24.573% *  0.5421% (0.53   0.02   0.02) =   0.699%  kept
          QD2   LEU   63 - HN    VAL   43   7.84 +/- 2.69  11.712% *  1.0099% (0.98   0.02   0.02) =   0.621%  kept
          QD1   LEU   63 - HN    VAL   43   8.27 +/- 2.36  11.135% *  0.4619% (0.45   0.02   0.02) =   0.270%  kept
          QD1   LEU   80 - HN    VAL   43   9.30 +/- 2.27   4.864% *  0.5421% (0.53   0.02   0.02) =   0.138%  kept
          QD2   LEU   80 - HN    VAL   43   8.75 +/- 2.33  11.857% *  0.1590% (0.15   0.02   0.02) =   0.099%
          QD2   LEU  115 - HN    VAL   43  10.38 +/- 1.38   2.716% *  0.1804% (0.18   0.02   0.02) =   0.026%
    Distance limit 4.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.1, residual support = 39.7:
          QG1   VAL   42 - HN    VAL   43   2.99 +/- 0.40  86.584% * 99.2409% (0.97   5.10  39.75) =  99.981%  kept
          QB    ALA   64 - HN    VAL   43   7.58 +/- 1.71  11.180% *  0.0798% (0.20   0.02   0.02) =   0.010%
          QB    ALA   47 - HN    VAL   43  13.08 +/- 0.48   1.192% *  0.4023% (1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 112 - HN    VAL   43  14.48 +/- 2.38   1.045% *  0.2770% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.887, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    VAL   43   6.53 +/- 0.99  37.965% * 34.1913% (0.90   0.02   0.02) =  39.004%  kept
          QG2   VAL   83 - HN    VAL   43   7.37 +/- 1.87  29.941% * 38.1246% (1.00   0.02   0.02) =  34.299%  kept
          QD2   LEU   31 - HN    VAL   43   7.43 +/- 2.24  32.094% * 27.6841% (0.73   0.02   0.02) =  26.697%  kept
    Distance limit 4.14 A violated in 6 structures by 1.26 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.925, support = 5.88, residual support = 27.1:
          HB    VAL   41 - HN    VAL   42   3.83 +/- 0.67  51.813% * 88.2444% (0.97   6.05  28.54) =  94.664%  kept
          HB2   LEU   71 - HN    VAL   42   6.19 +/- 1.74  25.222% * 10.0822% (0.22   3.00   1.70) =   5.265%  kept
          HG12  ILE  103 - HN    VAL   42   8.89 +/- 1.12   4.724% *  0.3023% (1.00   0.02   0.02) =   0.030%
          QB    LYS+  66 - HN    VAL   42  11.14 +/- 1.27   2.409% *  0.2525% (0.84   0.02   0.02) =   0.013%
          QB    LYS+ 102 - HN    VAL   42  11.30 +/- 1.87   2.948% *  0.1031% (0.34   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    VAL   42  18.56 +/- 4.00   0.721% *  0.2711% (0.90   0.02   0.02) =   0.004%
          QB    LYS+  65 - HN    VAL   42  11.26 +/- 1.45   2.584% *  0.0754% (0.25   0.02   0.02) =   0.004%
          HB    ILE  103 - HN    VAL   42  10.89 +/- 1.36   2.837% *  0.0598% (0.20   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    VAL   42  11.86 +/- 1.50   2.202% *  0.0673% (0.22   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    VAL   42  10.68 +/- 1.59   2.914% *  0.0466% (0.15   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    VAL   42  16.79 +/- 1.71   0.681% *  0.1711% (0.57   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    VAL   42  20.84 +/- 2.42   0.398% *  0.2711% (0.90   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    VAL   42  20.18 +/- 3.05   0.547% *  0.0529% (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 = 6.12, residual support = 88.5:
      O   HB    VAL   42 - HN    VAL   42   2.69 +/- 0.36  54.415% * 92.2313% (0.98  10.0   6.19  89.71) =  98.638%  kept
          HB3   LEU   73 - HN    VAL   42   7.59 +/- 2.04  12.890% *  3.6670% (0.95   1.0   0.82   0.45) =   0.929%  kept
          QB    LEU   98 - HN    VAL   42   5.87 +/- 0.92   6.119% *  3.4726% (0.57   1.0   1.30   0.42) =   0.418%  kept
          HB3   LYS+  74 - HN    VAL   42   9.68 +/- 2.29   8.184% *  0.0290% (0.31   1.0   0.02   0.02) =   0.005%
          HB2   LEU   80 - HN    VAL   42  11.95 +/- 2.93   6.127% *  0.0165% (0.18   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    VAL   42  10.85 +/- 2.14   1.066% *  0.0939% (1.00   1.0   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    VAL   42   7.36 +/- 1.48   5.975% *  0.0127% (0.14   1.0   0.02   0.42) =   0.001%
          HG3   LYS+ 106 - HN    VAL   42  11.29 +/- 1.52   1.028% *  0.0719% (0.76   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   42  13.36 +/- 1.72   0.584% *  0.0869% (0.92   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    VAL   42  13.39 +/- 1.19   0.513% *  0.0922% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   42  17.24 +/- 2.99   0.338% *  0.0816% (0.87   1.0   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    VAL   42  17.53 +/- 3.63   0.333% *  0.0786% (0.84   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    VAL   42  12.98 +/- 2.09   1.397% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   42  16.11 +/- 4.14   0.622% *  0.0262% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.85 +/- 1.93   0.410% *  0.0209% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 1.28, residual support = 1.95:
          QD1   LEU   40 - HN    VAL   42   4.37 +/- 1.18  73.810% * 98.0033% (0.98   1.29   1.96) =  99.569%  kept
          QD2   LEU   67 - HN    VAL   42   8.23 +/- 1.44  23.690% *  1.2418% (0.80   0.02   0.02) =   0.405%  kept
          QG1   VAL  108 - HN    VAL   42  14.92 +/- 1.19   2.500% *  0.7549% (0.49   0.02   0.02) =   0.026%
    Distance limit 4.63 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.804, support = 5.26, residual support = 33.6:
          QG1   VAL   41 - HN    VAL   42   4.16 +/- 0.39  36.614% * 45.9578% (0.73   5.46  28.54) =  53.385%  kept
          QG1   VAL   43 - HN    VAL   42   4.85 +/- 1.26  27.684% * 52.6496% (0.90   5.06  39.75) =  46.241%  kept
          QD2   LEU  104 - HN    VAL   42   8.35 +/- 2.10  11.277% *  0.7085% (0.61   0.10   0.02) =   0.253%  kept
          QG2   VAL   18 - HN    VAL   42   9.08 +/- 2.72   7.715% *  0.2313% (1.00   0.02   0.02) =   0.057%
          QD1   ILE   19 - HN    VAL   42   8.97 +/- 2.36   5.432% *  0.1772% (0.76   0.02   0.02) =   0.031%
          QG2   THR   46 - HN    VAL   42  10.21 +/- 1.16   2.933% *  0.2298% (0.99   0.02   0.02) =   0.021%
          HG    LEU   31 - HN    VAL   42   7.82 +/- 2.16   8.345% *  0.0459% (0.20   0.02   0.02) =   0.012%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 5.88, residual support = 27.7:
          QG2   VAL   41 - HN    VAL   42   3.44 +/- 0.39  40.153% * 92.5034% (0.73   6.04  28.54) =  97.178%  kept
          QD2   LEU   98 - HN    VAL   42   5.41 +/- 1.44  17.034% *  4.2674% (0.53   0.38   0.42) =   1.902%  kept
          QD1   LEU   73 - HN    VAL   42   6.31 +/- 1.71  11.977% *  2.2661% (0.45   0.24   0.45) =   0.710%  kept
          QD2   LEU   63 - HN    VAL   42   7.23 +/- 2.04  12.255% *  0.4133% (0.98   0.02   0.02) =   0.133%  kept
          QD1   LEU   80 - HN    VAL   42  10.17 +/- 2.77   6.708% *  0.2218% (0.53   0.02   0.02) =   0.039%
          QD1   LEU   63 - HN    VAL   42   8.14 +/- 1.70   5.433% *  0.1890% (0.45   0.02   0.02) =   0.027%
          QD2   LEU   80 - HN    VAL   42   9.45 +/- 2.26   5.048% *  0.0651% (0.15   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    VAL   42  11.83 +/- 1.74   1.391% *  0.0738% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 89.7:
          QG1   VAL   42 - HN    VAL   42   3.29 +/- 0.44  97.222% * 99.2594% (0.87   5.44  89.71) =  99.989%  kept
          HG2   LYS+ 112 - HN    VAL   42  16.54 +/- 3.07   1.653% *  0.4194% (1.00   0.02   0.02) =   0.007%
          QB    ALA   47 - HN    VAL   42  14.95 +/- 0.83   1.125% *  0.3212% (0.76   0.02   0.02) =   0.004%
    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 = 0.585, support = 5.1, residual support = 84.4:
          QG2   VAL   42 - HN    VAL   42   3.39 +/- 0.48  49.313% * 87.2230% (0.61   5.35  89.71) =  94.036%  kept
          QG2   VAL   70 - HN    VAL   42   3.97 +/- 1.16  39.691% *  4.6099% (0.14   1.27   0.60) =   4.000%  kept
          QG2   VAL   75 - HN    VAL   42   5.79 +/- 0.95  10.996% *  8.1671% (0.45   0.68   0.02) =   1.963%  kept
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.894, support = 4.63, residual support = 74.7:
      O   HB    VAL   41 - HN    VAL   41   3.14 +/- 0.51  61.901% * 95.1552% (0.90  10.0   4.67  75.49) =  98.946%  kept
          HB2   LEU   71 - HN    VAL   41   6.82 +/- 1.60  14.182% *  4.2888% (0.61   1.0   1.33   3.11) =   1.022%  kept
          QB    LYS+ 102 - HN    VAL   41   8.82 +/- 2.20  13.289% *  0.0811% (0.76   1.0   0.02   0.02) =   0.018%
          HG12  ILE  103 - HN    VAL   41   8.04 +/- 1.22   6.466% *  0.0811% (0.76   1.0   0.02   0.02) =   0.009%
          QB    LYS+  66 - HN    VAL   41  13.03 +/- 1.64   1.372% *  0.1052% (0.99   1.0   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    VAL   41  13.91 +/- 1.17   0.972% *  0.0686% (0.65   1.0   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   41  20.02 +/- 1.49   0.314% *  0.1004% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    VAL   41  19.55 +/- 4.81   0.499% *  0.0516% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  15.51 +/- 2.77   0.809% *  0.0164% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  24.03 +/- 2.37   0.196% *  0.0516% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.21, support = 3.81, residual support = 19.0:
          HG    LEU   40 - HN    VAL   41   3.55 +/- 0.82  57.117% * 56.9723% (0.18   4.04  20.19) =  94.114%  kept
          HG    LEU   80 - HN    VAL   41  14.41 +/- 3.57   4.092% * 21.8724% (0.97   0.28   0.02) =   2.588%  kept
          HG    LEU   73 - HN    VAL   41  10.74 +/- 2.17   7.207% * 10.8660% (0.61   0.22   0.02) =   2.265%  kept
          QB    ALA   61 - HN    VAL   41  13.10 +/- 2.99   7.672% *  1.6077% (1.00   0.02   0.02) =   0.357%  kept
          HG12  ILE   19 - HN    VAL   41  11.67 +/- 3.86   4.762% *  1.4451% (0.90   0.02   0.02) =   0.199%  kept
          HB3   LEU   67 - HN    VAL   41  10.20 +/- 1.62   3.524% *  1.5242% (0.95   0.02   0.02) =   0.155%  kept
          HG2   LYS+ 102 - HN    VAL   41  10.47 +/- 2.07   3.082% *  0.7843% (0.49   0.02   0.02) =   0.070%
          HB2   LEU   80 - HN    VAL   41  14.83 +/- 3.42   3.018% *  0.7843% (0.49   0.02   0.02) =   0.068%
          HB3   LYS+  74 - HN    VAL   41  13.44 +/- 2.51   4.428% *  0.4973% (0.31   0.02   0.02) =   0.064%
          QG    LYS+  66 - HN    VAL   41  13.84 +/- 1.63   1.411% *  1.2902% (0.80   0.02   0.02) =   0.053%
          HD3   LYS+ 121 - HN    VAL   41  16.45 +/- 4.96   2.133% *  0.5496% (0.34   0.02   0.02) =   0.034%
          QB    ALA  110 - HN    VAL   41  18.65 +/- 1.90   0.567% *  1.5242% (0.95   0.02   0.02) =   0.025%
          HB3   LEU  115 - HN    VAL   41  16.06 +/- 2.10   0.988% *  0.2822% (0.18   0.02   0.02) =   0.008%
    Distance limit 3.75 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.792, support = 1.48, residual support = 6.98:
          QB    ALA   34 - HN    VAL   41   4.76 +/- 1.34  50.790% * 73.1208% (0.90   1.50   8.36) =  82.927%  kept
          QG2   THR   39 - HN    VAL   41   5.56 +/- 0.95  34.110% * 21.6737% (0.28   1.44   0.25) =  16.508%  kept
          HG3   LYS+  38 - HN    VAL   41   9.78 +/- 1.03   7.775% *  2.7979% (0.53   0.10   0.02) =   0.486%  kept
          QG2   THR   23 - HN    VAL   41  15.92 +/- 1.45   1.271% *  1.0759% (0.99   0.02   0.02) =   0.031%
          QG2   ILE   56 - HN    VAL   41  16.81 +/- 1.50   1.196% *  0.7882% (0.73   0.02   0.02) =   0.021%
          QG2   THR   77 - HN    VAL   41  14.16 +/- 1.63   3.738% *  0.2417% (0.22   0.02   0.02) =   0.020%
          QB    ALA   91 - HN    VAL   41  17.95 +/- 1.08   1.120% *  0.3018% (0.28   0.02   0.02) =   0.008%
    Distance limit 4.45 A violated in 1 structures by 0.13 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 4.58, residual support = 20.0:
          QD2   LEU   40 - HN    VAL   41   2.77 +/- 0.73  59.050% * 91.9739% (0.92   4.62  20.19) =  99.156%  kept
          QD2   LEU   71 - HN    VAL   41   7.46 +/- 1.41   5.855% *  6.2375% (0.65   0.45   3.11) =   0.667%  kept
          QD1   LEU   67 - HN    VAL   41   8.37 +/- 1.62   6.154% *  0.4084% (0.95   0.02   0.02) =   0.046%
          QG2   ILE  103 - HN    VAL   41   8.11 +/- 1.56   5.730% *  0.4279% (0.99   0.02   0.02) =   0.045%
          QD1   ILE  103 - HN    VAL   41   7.60 +/- 1.56  10.481% *  0.2271% (0.53   0.02   0.02) =   0.043%
          HB    VAL   75 - HN    VAL   41  11.07 +/- 2.03  10.204% *  0.1473% (0.34   0.02   0.02) =   0.027%
          HG3   LYS+  74 - HN    VAL   41  14.67 +/- 2.65   1.652% *  0.4307% (1.00   0.02   0.02) =   0.013%
          QG2   ILE  119 - HN    VAL   41  14.52 +/- 3.12   0.874% *  0.1473% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.51, residual support = 75.1:
          QG1   VAL   41 - HN    VAL   41   2.36 +/- 0.55  73.214% * 92.1722% (1.00   4.54  75.49) =  99.452%  kept
          QG1   VAL   43 - HN    VAL   41   7.10 +/- 1.31   5.179% *  6.5292% (0.95   0.34   1.44) =   0.498%  kept
          HG    LEU   31 - HN    VAL   41   8.52 +/- 1.86   4.838% *  0.2465% (0.61   0.02   0.02) =   0.018%
          QD2   LEU   73 - HN    VAL   41   7.97 +/- 1.92   4.018% *  0.1822% (0.45   0.02   0.02) =   0.011%
          QD2   LEU  104 - HN    VAL   41   6.42 +/- 1.45   9.082% *  0.0804% (0.20   0.02   0.02) =   0.011%
          QG2   VAL   18 - HN    VAL   41  11.54 +/- 2.26   1.068% *  0.3106% (0.76   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    VAL   41  10.36 +/- 2.53   1.593% *  0.1254% (0.31   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    VAL   41  13.30 +/- 1.19   0.625% *  0.2629% (0.65   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    VAL   41  15.45 +/- 1.79   0.383% *  0.0905% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.697, support = 3.93, residual support = 68.2:
          QG2   VAL   41 - HN    VAL   41   3.27 +/- 0.72  46.466% * 79.7139% (0.73   4.35  75.49) =  85.871%  kept
          QD2   LEU   98 - HN    VAL   41   4.24 +/- 1.50  31.958% * 18.9063% (0.53   1.42  24.06) =  14.008%  kept
          QD1   LEU   80 - HN    VAL   41  12.49 +/- 3.40   8.205% *  0.2657% (0.53   0.02   0.02) =   0.051%
          QD2   LEU   63 - HN    VAL   41   9.19 +/- 1.58   2.374% *  0.4950% (0.98   0.02   0.02) =   0.027%
          QD1   LEU   73 - HN    VAL   41   8.83 +/- 1.86   4.771% *  0.2264% (0.45   0.02   0.02) =   0.025%
          QD1   LEU   63 - HN    VAL   41  10.07 +/- 1.41   2.025% *  0.2264% (0.45   0.02   0.02) =   0.011%
          QD2   LEU   80 - HN    VAL   41  11.73 +/- 2.85   3.423% *  0.0779% (0.15   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    VAL   41  13.96 +/- 1.49   0.777% *  0.0884% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.176, support = 2.63, residual support = 2.62:
          QG2   VAL   70 - HN    VAL   41   5.18 +/- 1.24  82.491% * 98.3996% (0.18   2.64   2.63) =  99.656%  kept
          QG2   THR  118 - HN    VAL   41  11.74 +/- 3.21  17.509% *  1.6004% (0.38   0.02   0.02) =   0.344%  kept
    Distance limit 4.99 A violated in 2 structures by 0.58 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.674, support = 1.28, residual support = 14.6:
          HB2   SER   37 - HN    LEU   40   6.38 +/- 0.31  28.060% * 47.7403% (0.92   1.09   0.48) =  43.477%  kept
          HA    VAL   70 - HN    LEU   40   4.99 +/- 1.27  53.072% * 23.2389% (0.28   1.77  35.94) =  40.029%  kept
          HA1   GLY   16 - HN    LEU   40  10.58 +/- 4.58  17.660% * 28.7578% (0.98   0.62   0.10) =  16.484%  kept
          HA    GLN  116 - HN    LEU   40  18.94 +/- 2.86   1.208% *  0.2631% (0.28   0.02   0.02) =   0.010%
    Distance limit 4.69 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.408, support = 3.98, residual support = 23.5:
          HB    THR   39 - HN    LEU   40   3.79 +/- 0.52  79.233% * 84.2913% (0.41   4.06  24.03) =  97.743%  kept
          HB3   SER   37 - HN    LEU   40   7.59 +/- 0.61  12.678% * 11.6841% (0.28   0.83   0.48) =   2.168%  kept
          HA    GLN   30 - HN    LEU   40  11.34 +/- 1.74   4.120% *  0.9559% (0.95   0.02   0.02) =   0.058%
          QB    SER   13 - HN    LEU   40  15.27 +/- 3.38   2.057% *  0.4530% (0.45   0.02   0.02) =   0.014%
          HB3   SER   82 - HN    LEU   40  21.37 +/- 2.98   0.586% *  0.7722% (0.76   0.02   0.02) =   0.007%
          HD3   PRO   52 - HN    LEU   40  26.53 +/- 3.29   0.318% *  0.9905% (0.98   0.02   0.02) =   0.005%
          HB2   CYS   53 - HN    LEU   40  22.66 +/- 2.66   0.496% *  0.5721% (0.57   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    LEU   40  21.41 +/- 1.30   0.511% *  0.2809% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.499, support = 0.784, residual support = 7.89:
          QE    LYS+  99 - HN    LEU   40   5.40 +/- 2.06  50.845% * 47.9376% (0.57   0.67  10.62) =  72.868%  kept
          QE    LYS+  38 - HN    LEU   40   7.32 +/- 1.13  19.761% * 44.3526% (0.31   1.13   0.53) =  26.202%  kept
          HB2   PHE   97 - HN    LEU   40  11.15 +/- 1.46   4.861% *  2.4467% (0.97   0.02   1.69) =   0.356%  kept
          QE    LYS+ 102 - HN    LEU   40  12.99 +/- 3.07  16.170% *  0.3912% (0.15   0.02   0.02) =   0.189%  kept
          HB3   TRP   27 - HN    LEU   40  13.62 +/- 1.16   2.541% *  2.4851% (0.98   0.02   0.02) =   0.189%  kept
          HB3   PHE   60 - HN    LEU   40  15.44 +/- 3.69   3.709% *  0.9515% (0.38   0.02   0.02) =   0.106%  kept
          QE    LYS+ 106 - HN    LEU   40  14.88 +/- 1.86   2.113% *  1.4354% (0.57   0.02   0.02) =   0.091%
    Distance limit 4.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.61, residual support = 100.5:
      O   HB2   LEU   40 - HN    LEU   40   2.72 +/- 0.33  95.467% * 99.7221% (0.97  10.0   4.61 100.54) =  99.998%  kept
          HB3   MET   96 - HN    LEU   40  13.90 +/- 0.78   0.808% *  0.0954% (0.92   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    LEU   40  15.24 +/- 3.99   0.964% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    LEU   40  12.15 +/- 3.35   2.083% *  0.0230% (0.22   1.0   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    LEU   40  21.23 +/- 5.21   0.347% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  23.74 +/- 5.24   0.332% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.634, support = 4.9, residual support = 100.5:
      O   HB3   LEU   40 - HN    LEU   40   2.34 +/- 0.40  73.939% * 69.1231% (0.61  10.0   4.82 100.54) =  91.184%  kept
          HG    LEU   40 - HN    LEU   40   4.25 +/- 0.31  16.285% * 30.3047% (0.92   1.0   5.76 100.54) =   8.805%  kept
          HG    LEU   67 - HN    LEU   40   9.31 +/- 2.41   3.237% *  0.1117% (0.98   1.0   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    LEU   40   8.90 +/- 1.78   3.027% *  0.0176% (0.15   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   40  13.42 +/- 2.16   0.636% *  0.0645% (0.57   1.0   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LEU   40  16.66 +/- 3.92   0.431% *  0.0952% (0.84   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   40  12.29 +/- 1.66   1.173% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LEU   40  12.27 +/- 1.83   0.693% *  0.0511% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LEU   40  17.73 +/- 2.28   0.334% *  0.1052% (0.92   1.0   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LEU   40  18.73 +/- 2.21   0.244% *  0.0952% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.441, support = 3.23, residual support = 16.4:
          QG2   THR   39 - HN    LEU   40   2.97 +/- 0.66  69.603% * 30.0356% (0.28   3.94  24.03) =  67.633%  kept
          QB    ALA   34 - HN    LEU   40   5.18 +/- 0.89  17.147% * 40.4109% (0.90   1.65   0.37) =  22.417%  kept
          HG3   LYS+  38 - HN    LEU   40   7.78 +/- 1.25  10.828% * 28.3384% (0.53   1.97   0.53) =   9.927%  kept
          QG2   THR   23 - HN    LEU   40  16.91 +/- 1.29   0.556% *  0.5430% (0.99   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    LEU   40  17.57 +/- 1.85   0.556% *  0.3978% (0.73   0.02   0.02) =   0.007%
          QG2   THR   77 - HN    LEU   40  16.48 +/- 1.82   1.010% *  0.1220% (0.22   0.02   0.02) =   0.004%
          QB    ALA   91 - HN    LEU   40  20.78 +/- 1.25   0.299% *  0.1523% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.905, support = 1.27, residual support = 19.2:
          QG1   VAL   70 - HN    LEU   40   5.77 +/- 1.22  34.145% * 54.2991% (0.84   1.51  35.94) =  51.025%  kept
          QD1   LEU   71 - HN    LEU   40   5.28 +/- 2.28  40.825% * 43.2261% (0.98   1.03   1.73) =  48.566%  kept
          QG1   VAL   18 - HN    LEU   40  10.49 +/- 2.53   9.894% *  0.6242% (0.73   0.02   0.02) =   0.170%  kept
          HB3   LEU  104 - HN    LEU   40  11.47 +/- 1.78   6.012% *  0.7936% (0.92   0.02   0.02) =   0.131%  kept
          QD1   LEU  123 - HN    LEU   40  14.95 +/- 4.32   3.137% *  0.8426% (0.98   0.02   0.02) =   0.073%
          HB3   LEU   63 - HN    LEU   40  11.83 +/- 2.00   5.987% *  0.2144% (0.25   0.02   0.02) =   0.035%
    Distance limit 4.21 A violated in 1 structures by 0.40 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.616, support = 4.19, residual support = 80.7:
          QD2   LEU   40 - HN    LEU   40   4.14 +/- 0.29  48.088% * 66.1298% (0.53   4.93 100.54) =  79.947%  kept
          QD2   LEU   71 - HN    LEU   40   6.22 +/- 2.05  24.672% * 31.9623% (0.98   1.28   1.73) =  19.825%  kept
          QD1   LEU   67 - HN    LEU   40   7.61 +/- 2.02  17.206% *  0.2887% (0.57   0.02   0.02) =   0.125%  kept
          QD1   ILE  103 - HN    LEU   40  10.88 +/- 1.71   3.916% *  0.4708% (0.92   0.02   0.02) =   0.046%
          QG2   ILE  103 - HN    LEU   40  11.15 +/- 1.49   3.042% *  0.3503% (0.69   0.02   0.02) =   0.027%
          QG2   ILE  119 - HN    LEU   40  14.44 +/- 3.56   1.927% *  0.3897% (0.76   0.02   0.02) =   0.019%
          HG3   LYS+  74 - HN    LEU   40  15.60 +/- 2.98   1.149% *  0.4084% (0.80   0.02   0.02) =   0.012%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.13, residual support = 35.9:
          QG2   VAL   70 - HN    LEU   40   4.91 +/- 0.83 100.000% *100.0000% (0.57   6.13  35.94) = 100.000%  kept
    Distance limit 4.53 A violated in 2 structures by 0.54 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.469, support = 1.88, residual support = 4.73:
          HA    ALA   34 - HN    THR   39   3.27 +/- 0.88  78.754% * 20.2490% (0.22   1.84   7.67) =  57.286%  kept
          HA    GLU-  36 - HN    THR   39   6.56 +/- 0.19  15.535% * 76.3183% (0.80   1.93   0.80) =  42.591%  kept
          HA    LYS+  81 - HN    THR   39  23.14 +/- 3.45   1.377% *  0.8859% (0.90   0.02   0.02) =   0.044%
          HA    ASN   28 - HN    THR   39  12.56 +/- 0.78   2.601% *  0.3707% (0.38   0.02   0.02) =   0.035%
          HA    ALA  124 - HN    THR   39  23.34 +/- 7.60   0.669% *  0.9533% (0.97   0.02   0.02) =   0.023%
          HA    ARG+  54 - HN    THR   39  25.63 +/- 4.06   0.420% *  0.8859% (0.90   0.02   0.02) =   0.013%
          HA    LEU  115 - HN    THR   39  22.02 +/- 2.62   0.645% *  0.3369% (0.34   0.02   0.02) =   0.008%
    Distance limit 4.42 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.827, support = 3.16, residual support = 9.65:
          HA    SER   37 - HN    THR   39   4.32 +/- 0.17  55.059% * 56.3211% (0.90   3.14   4.21) =  72.389%  kept
          HA    LEU   40 - HN    THR   39   5.43 +/- 0.25  28.164% * 41.8172% (0.65   3.23  24.03) =  27.493%  kept
          HA    GLU-  15 - HN    THR   39  11.86 +/- 4.63   7.518% *  0.3340% (0.84   0.02   0.02) =   0.059%
          HA    GLN   17 - HN    THR   39  13.55 +/- 3.60   3.322% *  0.3587% (0.90   0.02   0.02) =   0.028%
          HA    SER   13 - HN    THR   39  16.22 +/- 4.00   1.589% *  0.3340% (0.84   0.02   0.02) =   0.012%
          HA    VAL   42 - HN    THR   39  11.12 +/- 0.44   3.313% *  0.1364% (0.34   0.02   0.02) =   0.011%
          HA    PRO   58 - HN    THR   39  21.31 +/- 3.15   0.610% *  0.3202% (0.80   0.02   0.02) =   0.005%
          HA    THR   46 - HN    THR   39  22.70 +/- 1.56   0.424% *  0.3783% (0.95   0.02   0.02) =   0.004%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 3.61, residual support = 35.1:
      O   HB    THR   39 - HN    THR   39   2.75 +/- 0.54  63.685% * 91.3401% (0.41  10.0   3.66  36.47) =  95.808%  kept
          HB3   SER   37 - HN    THR   39   3.76 +/- 0.58  32.650% *  7.7749% (0.28   1.0   2.52   4.21) =   4.181%  kept
          HA    GLN   30 - HN    THR   39   9.18 +/- 1.47   2.498% *  0.2102% (0.95   1.0   0.02   0.02) =   0.009%
          QB    SER   13 - HN    THR   39  14.55 +/- 3.89   0.671% *  0.0996% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    THR   39  21.59 +/- 3.35   0.224% *  0.1698% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    THR   39  29.60 +/- 3.22   0.059% *  0.2178% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.77 +/- 2.63   0.098% *  0.1258% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  23.49 +/- 1.37   0.115% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.74, support = 3.81, residual support = 23.0:
          QG2   THR   39 - HN    THR   39   3.12 +/- 0.55  48.444% * 19.9674% (0.49   3.61  36.47) =  38.511%  kept
          QB    ALA   34 - HN    THR   39   3.62 +/- 0.46  36.466% * 24.3314% (1.00   2.15   7.67) =  35.325%  kept
          HG3   LYS+  38 - HN    THR   39   5.34 +/- 0.73  11.914% * 55.1393% (0.76   6.36  23.91) =  26.155%  kept
          HG13  ILE   19 - HN    THR   39  11.41 +/- 3.70   2.503% *  0.0449% (0.20   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    THR   39  16.28 +/- 1.20   0.356% *  0.1969% (0.87   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    THR   39  20.63 +/- 1.76   0.187% *  0.2096% (0.92   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    THR   39  22.92 +/- 1.19   0.130% *  0.1105% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.63, residual support = 220.3:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.01  95.157% * 99.7734% (0.80  10.0   6.63 220.28) =  99.997%  kept
          HA    GLU- 100 - HN    LYS+  38   8.18 +/- 3.01   4.426% *  0.0705% (0.57   1.0   0.02   0.02) =   0.003%
          HA    VAL   83 - HN    LYS+  38  20.86 +/- 2.91   0.133% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.42 +/- 1.22   0.214% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  26.10 +/- 3.07   0.070% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 220.3:
      O   HB2   LYS+  38 - HN    LYS+  38   3.15 +/- 0.16  93.727% * 99.7624% (1.00  10.0   5.95 220.28) =  99.998%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.44 +/- 1.28   1.093% *  0.0724% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    LYS+  38  12.60 +/- 1.29   1.775% *  0.0340% (0.34   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    LYS+  38  14.75 +/- 2.91   1.408% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  13.18 +/- 1.28   1.391% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.60 +/- 0.99   0.482% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.21 +/- 2.17   0.124% *  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 = 220.2:
      O   HB3   LYS+  38 - HN    LYS+  38   4.01 +/- 0.09  75.543% * 99.4497% (0.90  10.0   5.20 220.28) =  99.987%  kept
          HB3   GLN   30 - HN    LYS+  38  10.94 +/- 0.80   3.952% *  0.1099% (0.99   1.0   0.02   0.02) =   0.006%
          QB    LYS+  33 - HN    LYS+  38   6.71 +/- 0.41  16.744% *  0.0219% (0.20   1.0   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    LYS+  38  24.70 +/- 3.30   0.397% *  0.0994% (0.90   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  18.36 +/- 1.51   0.861% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  22.74 +/- 4.00   0.807% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.22 +/- 2.44   0.297% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.54 +/- 5.54   0.983% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  29.01 +/- 1.39   0.204% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  28.88 +/- 2.00   0.212% *  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 = 220.2:
          HG2   LYS+  38 - HN    LYS+  38   3.30 +/- 0.28  87.978% * 98.4026% (0.65   5.85 220.28) =  99.966%  kept
          HG2   LYS+  99 - HN    LYS+  38   9.90 +/- 2.43   6.116% *  0.2735% (0.53   0.02   0.02) =   0.019%
          QG2   THR   77 - HN    LYS+  38  19.41 +/- 3.23   1.200% *  0.4917% (0.95   0.02   0.02) =   0.007%
          HB2   LEU   31 - HN    LYS+  38  10.01 +/- 0.79   3.508% *  0.1157% (0.22   0.02   0.02) =   0.005%
          QB    ALA   88 - HN    LYS+  38  21.68 +/- 1.14   0.337% *  0.4917% (0.95   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    LYS+  38  16.98 +/- 1.12   0.731% *  0.0802% (0.15   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  38  30.63 +/- 3.32   0.130% *  0.1445% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.76, residual support = 29.4:
      O   HB3   SER   37 - HN    SER   37   2.89 +/- 0.51  76.028% * 93.6407% (0.99  10.0   3.80  29.80) =  98.502%  kept
          HB    THR   39 - HN    SER   37   5.33 +/- 0.73  18.038% *  5.9900% (0.99   1.0   1.28   4.21) =   1.495%  kept
          QB    SER   13 - HN    SER   37  14.45 +/- 4.40   1.278% *  0.0926% (0.98   1.0   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    SER   37   8.45 +/- 1.09   3.981% *  0.0187% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    SER   37  22.25 +/- 3.41   0.245% *  0.0722% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.63 +/- 3.49   0.230% *  0.0686% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  25.29 +/- 1.36   0.133% *  0.0936% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  31.84 +/- 3.13   0.067% *  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 = 1.0, support = 3.71, residual support = 18.6:
          QB    GLU-  36 - HN    SER   37   3.24 +/- 0.27  87.886% * 98.3025% (1.00   3.71  18.60) =  99.962%  kept
          HB3   GLU-  29 - HN    SER   37  11.28 +/- 1.53   3.138% *  0.4591% (0.87   0.02   0.02) =   0.017%
          HB3   GLU-  79 - HN    SER   37  20.93 +/- 4.67   1.672% *  0.5246% (0.99   0.02   0.02) =   0.010%
          HG3   GLU- 100 - HN    SER   37  10.14 +/- 3.08   5.425% *  0.0927% (0.18   0.02   0.02) =   0.006%
          HG3   GLU-  29 - HN    SER   37  13.18 +/- 1.56   1.743% *  0.2576% (0.49   0.02   0.02) =   0.005%
          HB2   GLN   90 - HN    SER   37  29.36 +/- 2.20   0.137% *  0.3635% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.88, residual support = 20.5:
          HG2   LYS+  38 - HN    SER   37   4.90 +/- 0.13  80.730% * 97.5163% (0.38   4.89  20.57) =  99.889%  kept
          HG2   LYS+  99 - HN    SER   37  11.39 +/- 2.67  12.685% *  0.2956% (0.28   0.02   0.02) =   0.048%
          QG2   THR   77 - HN    SER   37  19.36 +/- 3.28   3.177% *  1.0536% (0.99   0.02   0.02) =   0.042%
          QG2   THR   23 - HN    SER   37  16.06 +/- 1.29   2.479% *  0.3626% (0.34   0.02   0.02) =   0.011%
          QB    ALA   88 - HN    SER   37  21.98 +/- 1.19   0.928% *  0.7719% (0.73   0.02   0.02) =   0.009%
    Distance limit 4.66 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.654, support = 5.86, residual support = 50.3:
          HB2   ASN   35 - HN    GLU-  36   3.77 +/- 0.21  67.218% * 91.2933% (0.65   6.05  51.98) =  96.774%  kept
          QE    LYS+  33 - HN    GLU-  36   5.49 +/- 0.97  28.187% *  7.1990% (0.87   0.36   0.02) =   3.200%  kept
          HB2   ASN   28 - HN    GLU-  36  12.43 +/- 0.84   2.049% *  0.4414% (0.95   0.02   0.02) =   0.014%
          QE    LYS+  65 - HN    GLU-  36  20.31 +/- 2.70   0.564% *  0.4656% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HN    GLU-  36  24.19 +/- 5.33   1.470% *  0.1592% (0.34   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HN    GLU-  36  20.56 +/- 3.30   0.512% *  0.4414% (0.95   0.02   0.02) =   0.004%
    Distance limit 3.74 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.82, residual support = 86.4:
          HG2   GLU-  36 - HN    GLU-  36   3.72 +/- 0.36  98.344% * 99.4310% (0.97   4.82  86.37) =  99.996%  kept
          HG3   MET   96 - HN    GLU-  36  18.45 +/- 2.02   0.889% *  0.3425% (0.80   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HN    GLU-  36  23.47 +/- 2.21   0.479% *  0.1605% (0.38   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  36  28.92 +/- 3.39   0.288% *  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 = 7.31, residual support = 86.4:
      O   QB    GLU-  36 - HN    GLU-  36   2.08 +/- 0.08  96.334% * 99.6951% (0.90  10.0   7.31  86.37) =  99.998%  kept
          HB3   GLU-  29 - HN    GLU-  36   9.82 +/- 1.32   1.182% *  0.0674% (0.61   1.0   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    GLU-  36  10.91 +/- 3.08   1.225% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  36  20.73 +/- 4.77   0.407% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.68 +/- 1.35   0.657% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.97 +/- 0.79   0.156% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  29.10 +/- 2.26   0.039% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.646, support = 4.81, residual support = 86.3:
          HG3   GLU-  36 - HN    GLU-  36   3.85 +/- 0.48  70.164% * 97.3044% (0.65   4.82  86.37) =  99.888%  kept
          QG    GLU-  15 - HN    GLU-  36  11.54 +/- 5.13  12.218% *  0.2799% (0.45   0.02   0.02) =   0.050%
          QG    GLU-  14 - HN    GLU-  36  14.13 +/- 4.42  10.440% *  0.1927% (0.31   0.02   0.02) =   0.029%
          QB    MET   11 - HN    GLU-  36  17.56 +/- 5.25   1.897% *  0.5600% (0.90   0.02   0.02) =   0.016%
          HB2   GLU-  79 - HN    GLU-  36  20.46 +/- 4.27   1.477% *  0.3039% (0.49   0.02   0.02) =   0.007%
          HB3   PHE   72 - HN    GLU-  36  13.68 +/- 2.33   2.249% *  0.1557% (0.25   0.02   0.02) =   0.005%
          HB2   ASP-  44 - HN    GLU-  36  19.06 +/- 1.26   0.641% *  0.2130% (0.34   0.02   0.02) =   0.002%
          QG    GLU- 114 - HN    GLU-  36  25.51 +/- 1.92   0.284% *  0.3535% (0.57   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    GLU-  36  29.39 +/- 1.50   0.171% *  0.4039% (0.65   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  36  24.84 +/- 2.22   0.298% *  0.1236% (0.20   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    GLU-  36  31.33 +/- 3.23   0.161% *  0.1093% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.419, support = 0.02, residual support = 0.02:
          HB2   TRP   27 - HD22  ASN   35  15.51 +/- 2.30  30.743% * 42.5614% (0.57   0.02   0.02) =  53.601%  kept
          HA2   GLY  101 - HD22  ASN   35  10.15 +/- 5.22  65.562% * 14.8773% (0.20   0.02   0.02) =  39.956%  kept
          HD2   PRO   93 - HD22  ASN   35  29.00 +/- 3.12   3.695% * 42.5614% (0.57   0.02   0.02) =   6.443%  kept
    Distance limit 4.96 A violated in 16 structures by 4.07 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.57, residual support = 54.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.90 +/- 0.20  74.648% * 98.1398% (0.76  10.0   3.57  54.57) =  99.833%  kept
          QE    LYS+  33 - HD22  ASN   35   9.30 +/- 1.39   7.682% *  1.4656% (0.76   1.0   0.30   5.55) =   0.153%  kept
          HB2   ASN   28 - HD22  ASN   35  12.67 +/- 2.47   3.657% *  0.1114% (0.87   1.0   0.02   0.02) =   0.006%
          HB2   ASP-  78 - HD22  ASN   35  24.52 +/- 7.71  12.557% *  0.0320% (0.25   1.0   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HD22  ASN   35  19.39 +/- 4.46   0.964% *  0.1273% (0.99   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD22  ASN   35  22.75 +/- 2.99   0.491% *  0.1239% (0.96   1.0   0.02   0.02) =   0.001%
    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 = 0.731, support = 1.66, residual support = 4.26:
          HA    GLN   32 - HD21  ASN   35   3.85 +/- 1.48  60.509% * 39.7583% (0.76   1.35   3.38) =  58.931%  kept
          HA    LYS+  33 - HD21  ASN   35   5.52 +/- 0.66  29.922% * 55.8371% (0.69   2.11   5.55) =  40.928%  kept
          HA    GLU-  29 - HD21  ASN   35   8.72 +/- 1.30   5.533% *  0.6445% (0.83   0.02   0.02) =   0.087%
          HB2   SER   82 - HD21  ASN   35  20.02 +/- 5.19   0.917% *  0.7123% (0.92   0.02   0.02) =   0.016%
          HA    VAL   18 - HD21  ASN   35  17.17 +/- 2.54   0.940% *  0.6693% (0.87   0.02   0.02) =   0.015%
          HA    VAL   70 - HD21  ASN   35  15.42 +/- 1.98   1.169% *  0.2896% (0.38   0.02   0.02) =   0.008%
          HA    ALA   88 - HD21  ASN   35  23.88 +/- 3.52   0.396% *  0.6179% (0.80   0.02   0.02) =   0.006%
          HA    SER   48 - HD21  ASN   35  27.74 +/- 3.73   0.261% *  0.7447% (0.96   0.02   0.02) =   0.005%
          HD2   PRO   52 - HD21  ASN   35  31.76 +/- 3.20   0.151% *  0.4368% (0.57   0.02   0.02) =   0.002%
          HA    GLN  116 - HD21  ASN   35  27.73 +/- 3.41   0.201% *  0.2896% (0.38   0.02   0.02) =   0.001%
    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 = 3.55, residual support = 54.1:
      O   HB2   ASN   35 - HD21  ASN   35   3.07 +/- 0.39  83.779% * 90.1526% (0.61  10.0   3.57  54.57) =  98.950%  kept
          QE    LYS+  33 - HD21  ASN   35   8.10 +/- 1.44   8.485% *  9.3623% (0.90   1.0   1.40   5.55) =   1.041%  kept
          HB2   ASN   28 - HD21  ASN   35  11.70 +/- 1.77   2.235% *  0.1434% (0.96   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HD21  ASN   35  23.98 +/- 7.12   4.597% *  0.0558% (0.38   1.0   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HD21  ASN   35  19.20 +/- 4.32   0.545% *  0.1372% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD21  ASN   35  22.23 +/- 2.87   0.359% *  0.1486% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.662, support = 4.29, residual support = 42.1:
      O   HA    GLN   32 - HN    GLN   32   2.76 +/- 0.06  57.576% * 73.3449% (0.65  10.0   4.38  44.70) =  92.822%  kept
          HA    LYS+  33 - HN    GLN   32   5.23 +/- 0.13   8.515% * 21.6530% (0.80   1.0   4.77  15.56) =   4.053%  kept
          HA    GLU-  29 - HN    GLN   32   3.42 +/- 0.31  31.956% *  4.4429% (0.92   1.0   0.85   0.02) =   3.121%  kept
          HA    VAL   18 - HN    GLN   32  13.72 +/- 1.95   0.568% *  0.1073% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    GLN   32  15.88 +/- 4.90   0.453% *  0.1111% (0.98   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLN   32  14.33 +/- 1.94   0.473% *  0.0552% (0.49   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   32  23.11 +/- 3.86   0.139% *  0.1017% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  20.52 +/- 3.49   0.161% *  0.0779% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  25.25 +/- 3.17   0.093% *  0.0552% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.65 +/- 2.86   0.067% *  0.0508% (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 = 6.13, residual support = 153.4:
      O   HA    LYS+  33 - HN    LYS+  33   2.85 +/- 0.03  67.314% * 98.1021% (0.87  10.0   6.17 154.33) =  99.429%  kept
          HA    GLU-  29 - HN    LYS+  33   4.45 +/- 1.09  26.422% *  1.4198% (0.73   1.0   0.35   0.02) =   0.565%  kept
          HB2   SER   37 - HN    LYS+  33   8.04 +/- 0.94   3.285% *  0.0550% (0.49   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    LYS+  33  13.72 +/- 1.81   0.732% *  0.1131% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LYS+  33  13.13 +/- 2.01   0.876% *  0.0777% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    LYS+  33  17.76 +/- 4.25   0.363% *  0.0686% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  14.74 +/- 3.31   0.718% *  0.0224% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  25.70 +/- 3.48   0.132% *  0.1131% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  24.05 +/- 3.60   0.158% *  0.0282% (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 = 0.332, support = 4.01, residual support = 24.1:
      O   HA    ASN   28 - HN    GLU-  29   3.64 +/- 0.03  31.963% * 74.9478% (0.18  10.0   5.04  32.17) =  74.563%  kept
          HA    THR   26 - HN    GLU-  29   3.30 +/- 0.16  43.265% * 14.8909% (0.95   1.0   0.74   0.69) =  20.053%  kept
          HA    GLU-  25 - HN    GLU-  29   4.49 +/- 0.49  19.134% *  8.9895% (0.22   1.0   1.89   0.02) =   5.354%  kept
          HA    ILE   19 - HN    GLU-  29  12.18 +/- 2.15   3.020% *  0.1759% (0.41   1.0   0.02   0.02) =   0.017%
          HA    ALA   34 - HN    GLU-  29  10.35 +/- 0.72   1.504% *  0.1321% (0.31   1.0   0.02   0.02) =   0.006%
          HA1   GLY  101 - HN    GLU-  29  16.52 +/- 5.68   0.796% *  0.2083% (0.49   1.0   0.02   0.02) =   0.005%
          HA    CYS   53 - HN    GLU-  29  24.85 +/- 3.37   0.132% *  0.2940% (0.69   1.0   0.02   0.02) =   0.001%
          HA    GLU- 114 - HN    GLU-  29  28.26 +/- 2.45   0.075% *  0.2768% (0.65   1.0   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    GLU-  29  24.67 +/- 2.32   0.112% *  0.0847% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.92, residual support = 94.5:
      O   HB2   ASN   28 - HD22  ASN   28   3.18 +/- 0.14  88.984% * 99.6000% (0.95  10.0   3.92  94.53) =  99.989%  kept
          HB2   ASP-  86 - HD22  ASN   28  11.67 +/- 5.45   4.459% *  0.0996% (0.95   1.0   0.02   0.02) =   0.005%
          QE    LYS+  33 - HD22  ASN   28  10.49 +/- 1.08   2.897% *  0.0913% (0.87   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  12.96 +/- 1.19   1.447% *  0.0681% (0.65   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HD22  ASN   28  17.93 +/- 2.91   0.746% *  0.1051% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  14.85 +/- 3.26   1.466% *  0.0359% (0.34   1.0   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.07, residual support = 158.8:
      O   HG2   GLN   30 - HE21  GLN   30   3.83 +/- 0.22  92.905% * 96.1358% (0.61  10.0   4.07 159.18) =  99.758%  kept
          HB3   ASN   28 - HE21  GLN   30  10.24 +/- 0.91   5.636% *  3.8365% (0.84   1.0   0.58  18.90) =   0.242%  kept
          QE    LYS+ 121 - HE21  GLN   30  20.44 +/- 3.83   1.459% *  0.0278% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.16, residual support = 158.9:
      O   HG2   GLN   30 - HE22  GLN   30   3.02 +/- 0.49  94.083% * 96.1358% (0.61  10.0   4.17 159.18) =  99.783%  kept
          HB3   ASN   28 - HE22  GLN   30   8.89 +/- 1.01   5.130% *  3.8365% (0.84   1.0   0.58  18.90) =   0.217%  kept
          QE    LYS+ 121 - HE22  GLN   30  20.44 +/- 3.52   0.786% *  0.0278% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.55, residual support = 94.5:
      O   HB3   ASN   28 - HD22  ASN   28   3.34 +/- 0.10  88.028% * 99.7665% (0.90  10.0   3.55  94.53) =  99.986%  kept
          HG2   GLN   30 - HD22  ASN   28   7.14 +/- 0.81  10.448% *  0.1110% (1.00   1.0   0.02  18.90) =   0.013%
          HB3   HIS  122 - HD22  ASN   28  22.65 +/- 5.26   1.128% *  0.0418% (0.38   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  21.96 +/- 3.24   0.397% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.35, residual support = 14.7:
          QG2   VAL   24 - HD22  ASN   28   3.19 +/- 0.42  96.449% * 97.4694% (0.97   1.35  14.66) =  99.961%  kept
          HG    LEU   63 - HD22  ASN   28  17.44 +/- 3.15   2.257% *  1.2980% (0.87   0.02   0.02) =   0.031%
          QG1   VAL  107 - HD22  ASN   28  17.39 +/- 1.58   0.863% *  0.5616% (0.38   0.02   0.02) =   0.005%
          HG3   LYS+ 112 - HD22  ASN   28  21.98 +/- 3.13   0.431% *  0.6709% (0.45   0.02   0.02) =   0.003%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 6.09, residual support = 91.9:
      O   HA    GLU-  29 - HN    GLU-  29   2.74 +/- 0.03  88.364% * 99.3483% (0.84  10.0   6.09  91.92) =  99.992%  kept
          HA    LYS+  33 - HN    GLU-  29   8.81 +/- 0.89   2.972% *  0.1125% (0.95   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    GLU-  29  14.19 +/- 5.55   1.204% *  0.0864% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    GLU-  29  13.72 +/- 1.90   1.029% *  0.0952% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    GLU-  29   7.56 +/- 0.43   4.341% *  0.0184% (0.15   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    GLU-  29  16.43 +/- 1.90   0.475% *  0.1166% (0.98   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLU-  29  13.38 +/- 1.32   0.841% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  25.98 +/- 3.44   0.140% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.27 +/- 4.74   0.367% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  20.05 +/- 3.96   0.267% *  0.0208% (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 = 0.965, support = 6.28, residual support = 32.2:
          HB2   ASN   28 - HN    GLU-  29   2.30 +/- 0.19  94.808% * 98.7602% (0.97   6.28  32.17) =  99.985%  kept
          QE    LYS+  33 - HN    GLU-  29   8.04 +/- 1.36   3.232% *  0.2925% (0.90   0.02   0.02) =   0.010%
          HB2   ASN   35 - HN    GLU-  29  11.79 +/- 0.92   0.857% *  0.1978% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    GLU-  29  15.50 +/- 5.31   0.493% *  0.3010% (0.92   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    GLU-  29  18.83 +/- 2.78   0.312% *  0.3261% (1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HN    GLU-  29  17.53 +/- 3.53   0.299% *  0.1224% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.702, support = 5.54, residual support = 30.8:
          HB3   ASN   28 - HN    GLU-  29   3.29 +/- 0.24  75.912% * 47.0858% (0.65   5.78  32.17) =  74.851%  kept
          HG2   GLN   30 - HN    GLU-  29   5.40 +/- 0.67  22.865% * 52.5134% (0.87   4.81  26.55) =  25.144%  kept
          HB3   HIS  122 - HN    GLU-  29  24.48 +/- 5.67   0.957% *  0.1628% (0.65   0.02   0.02) =   0.003%
          QE    LYS+ 121 - HN    GLU-  29  23.98 +/- 3.48   0.266% *  0.2380% (0.95   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.33, residual support = 91.8:
          HG2   GLU-  29 - HN    GLU-  29   2.95 +/- 0.58  89.181% * 97.1401% (0.57   5.34  91.92) =  99.914%  kept
          QG    GLN   32 - HN    GLU-  29   7.20 +/- 0.61   8.138% *  0.7847% (0.28   0.09   0.02) =   0.074%
          HB3   ASP-  86 - HN    GLU-  29  15.57 +/- 5.45   1.529% *  0.2642% (0.41   0.02   0.02) =   0.005%
          HB3   PHE   45 - HN    GLU-  29  18.01 +/- 3.14   0.540% *  0.6371% (0.99   0.02   0.02) =   0.004%
          QE    LYS+ 112 - HN    GLU-  29  21.79 +/- 3.07   0.355% *  0.6371% (0.99   0.02   0.02) =   0.003%
          HB    VAL  107 - HN    GLU-  29  22.60 +/- 1.01   0.257% *  0.5369% (0.84   0.02   0.02) =   0.002%
    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 = 0.583, support = 5.4, residual support = 15.1:
          HA    ASN   28 - HN    GLN   30   3.91 +/- 0.15  37.501% * 66.9709% (0.45   6.84  18.90) =  73.208%  kept
          HA    THR   26 - HN    GLN   30   4.29 +/- 0.41  29.624% * 30.5280% (0.97   1.45   4.88) =  26.362%  kept
          HA1   GLY  101 - HN    LYS+  99   5.61 +/- 0.56  13.525% *  0.8982% (0.05   0.75   1.38) =   0.354%  kept
          HA    ALA   34 - HN    GLN   30   8.12 +/- 0.76   4.466% *  0.2824% (0.65   0.02   1.36) =   0.037%
          HA1   GLY  101 - HN    GLN   30  15.21 +/- 5.52   1.612% *  0.3646% (0.84   0.02   0.02) =   0.017%
          HA    ILE   19 - HN    GLN   30  10.28 +/- 1.95   8.229% *  0.0673% (0.15   0.02   5.59) =   0.016%
          HA    GLU- 114 - HN    GLN   30  26.68 +/- 2.59   0.136% *  0.4129% (0.95   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    GLN   30  23.02 +/- 2.35   0.208% *  0.2125% (0.49   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    LYS+  99  11.62 +/- 2.33   1.751% *  0.0186% (0.04   0.02   0.02) =   0.001%
          HA    CYS   53 - HN    GLN   30  23.55 +/- 2.95   0.216% *  0.1489% (0.34   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+  99  14.41 +/- 3.01   0.993% *  0.0129% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  19.47 +/- 2.82   0.340% *  0.0277% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  19.91 +/- 1.67   0.302% *  0.0271% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.80 +/- 1.91   0.515% *  0.0140% (0.03   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  23.00 +/- 2.42   0.226% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  19.20 +/- 2.28   0.355% *  0.0044% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.997, support = 6.47, residual support = 26.5:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.03  64.583% * 98.3492% (1.00  10.0   6.48  26.55) =  99.836%  kept
          HA    GLN   32 - HN    GLN   30   6.79 +/- 0.21   8.968% *  1.0222% (0.38   1.0   0.55   1.74) =   0.144%  kept
          HA    LYS+  33 - HN    GLN   30   7.45 +/- 0.54   6.996% *  0.0966% (0.98   1.0   0.02   0.47) =   0.011%
          HA    VAL   18 - HN    GLN   30  11.49 +/- 1.72   2.528% *  0.0977% (0.99   1.0   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    GLN   30  15.03 +/- 5.06   1.338% *  0.0951% (0.97   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HN    GLN   30  14.03 +/- 1.79   1.186% *  0.0753% (0.76   1.0   0.02   0.02) =   0.001%
          HA    SER   48 - HN    GLN   30  20.56 +/- 4.27   0.555% *  0.0638% (0.65   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   30  11.20 +/- 1.36   2.225% *  0.0152% (0.15   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    GLN   30  24.17 +/- 3.46   0.287% *  0.0753% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  20.23 +/- 3.57   0.383% *  0.0405% (0.41   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  11.17 +/- 1.88   2.631% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.86 +/- 2.43   0.984% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.53 +/- 3.29   0.771% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.76 +/- 3.40   1.926% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.38 +/- 3.25   0.211% *  0.0219% (0.22   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  17.20 +/- 3.13   0.667% *  0.0064% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  18.84 +/- 2.94   0.648% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.19 +/- 2.09   0.434% *  0.0049% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  13.07 +/- 1.83   1.791% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  18.34 +/- 1.15   0.466% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  23.69 +/- 2.41   0.241% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.95 +/- 2.46   0.179% *  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 = 159.2:
      O   HA    GLN   30 - HN    GLN   30   2.82 +/- 0.02  87.546% * 99.5516% (0.92  10.0   6.41 159.18) =  99.995%  kept
          QB    SER   13 - HN    GLN   30  14.59 +/- 4.35   2.380% *  0.0525% (0.49   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLN   30  10.60 +/- 1.63   2.011% *  0.0483% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    GLN   30  15.18 +/- 5.01   0.907% *  0.0864% (0.80   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLN   30  11.10 +/- 1.52   1.711% *  0.0333% (0.31   1.0   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    GLN   30  26.58 +/- 3.26   0.129% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  23.01 +/- 3.01   0.215% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  19.93 +/- 3.07   0.280% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  11.12 +/- 1.27   1.603% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  15.25 +/- 2.95   0.678% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  19.05 +/- 3.20   0.526% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  13.93 +/- 1.96   1.091% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  17.25 +/- 0.94   0.391% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  22.14 +/- 3.55   0.236% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.15 +/- 2.66   0.110% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.65 +/- 2.54   0.186% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.981, support = 6.96, residual support = 136.4:
          HG2   GLN   30 - HN    GLN   30   3.28 +/- 0.59  70.061% * 63.0702% (1.00   7.38 159.18) =  83.729%  kept
          HB3   ASN   28 - HN    GLN   30   5.01 +/- 0.17  23.389% * 36.7075% (0.90   4.78  18.90) =  16.269%  kept
          QE    LYS+ 121 - HN    GLN   30  22.28 +/- 3.57   0.273% *  0.1243% (0.73   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    GLN   30  22.35 +/- 5.85   0.405% *  0.0643% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    LYS+  99  14.13 +/- 5.65   2.293% *  0.0082% (0.05   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.14 +/- 3.25   0.929% *  0.0101% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  16.46 +/- 2.54   0.781% *  0.0112% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  16.50 +/- 6.46   1.868% *  0.0042% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.93, residual support = 159.1:
      O   HB3   GLN   30 - HN    GLN   30   2.58 +/- 0.49  69.648% * 98.7410% (0.69  10.0   6.94 159.18) =  99.978%  kept
          QB    LYS+  33 - HN    GLN   30   5.38 +/- 0.90  10.199% *  0.1044% (0.73   1.0   0.02   0.47) =   0.015%
          HG3   PRO   68 - HN    GLN   30  18.68 +/- 4.29   1.348% *  0.0700% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    GLN   30  14.73 +/- 0.94   0.593% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   30  15.70 +/- 4.30   0.473% *  0.1247% (0.87   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.13 +/- 0.61   7.046% *  0.0050% (0.03   1.0   0.02   0.30) =   0.001%
          QB    LYS+ 106 - HN    GLN   30  17.84 +/- 1.89   0.270% *  0.1289% (0.90   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    GLN   30  17.22 +/- 3.68   0.342% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.50 +/- 2.35   0.164% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.47 +/- 1.45   0.222% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.32 +/- 0.82   1.988% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.44 +/- 0.75   2.835% *  0.0057% (0.04   1.0   0.02   0.44) =   0.000%
          HB3   GLN   90 - HN    GLN   30  22.86 +/- 3.52   0.130% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.35 +/- 3.62   0.147% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  22.87 +/- 2.60   0.205% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99  10.86 +/- 1.65   1.203% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.47 +/- 2.50   0.119% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  13.95 +/- 2.21   0.657% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  14.35 +/- 2.60   0.639% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  16.17 +/- 2.13   0.454% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  19.65 +/- 2.72   0.232% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  21.20 +/- 5.29   0.515% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.24 +/- 2.94   0.180% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  21.47 +/- 0.83   0.159% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  22.30 +/- 1.07   0.135% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.12 +/- 3.79   0.097% *  0.0053% (0.04   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 = 0.807, support = 5.58, residual support = 49.1:
          HG    LEU   31 - HN    GLN   30   4.28 +/- 0.56  36.956% * 89.4111% (0.80   5.86  51.69) =  94.592%  kept
          QD2   LEU   73 - HN    GLN   30   6.70 +/- 2.68  19.088% *  9.8098% (0.92   0.56   3.60) =   5.360%  kept
          QG1   VAL   41 - HN    GLN   30   7.74 +/- 2.23  11.403% *  0.0950% (0.25   0.02   0.02) =   0.031%
          QD1   ILE   56 - HN    GLN   30  18.75 +/- 1.87   0.558% *  0.3800% (1.00   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    LYS+  99   6.00 +/- 1.99  23.369% *  0.0062% (0.02   0.02   0.02) =   0.004%
          HG3   LYS+ 121 - HN    GLN   30  24.89 +/- 4.59   0.324% *  0.2156% (0.57   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LYS+  99  11.95 +/- 2.86   3.080% *  0.0200% (0.05   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LYS+  99  11.84 +/- 2.25   2.474% *  0.0231% (0.06   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - HN    LYS+  99  15.64 +/- 6.64   1.866% *  0.0142% (0.04   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  99  17.06 +/- 2.44   0.881% *  0.0250% (0.07   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.725, support = 2.0, residual support = 4.87:
          QG2   THR   26 - HN    GLN   30   4.16 +/- 0.18  68.171% * 94.2903% (0.73   2.00   4.88) =  99.818%  kept
          HB2   LYS+  74 - HN    GLN   30  12.04 +/- 2.28   4.827% *  1.2283% (0.95   0.02   0.02) =   0.092%
          HB3   LEU   40 - HN    GLN   30  13.78 +/- 1.52   2.122% *  0.9429% (0.73   0.02   0.02) =   0.031%
          HG2   LYS+  65 - HN    GLN   30  17.94 +/- 2.74   1.262% *  0.8400% (0.65   0.02   0.02) =   0.016%
          HB3   LEU   40 - HN    LYS+  99   8.25 +/- 1.33  11.892% *  0.0619% (0.05   0.02  10.62) =   0.011%
          QB    ALA  120 - HN    GLN   30  22.86 +/- 3.86   0.951% *  0.6320% (0.49   0.02   0.02) =   0.009%
          HD2   LYS+ 121 - HN    GLN   30  24.40 +/- 3.93   0.513% *  0.7352% (0.57   0.02   0.02) =   0.006%
          HG    LEU  115 - HN    GLN   30  22.61 +/- 2.40   0.485% *  0.6320% (0.49   0.02   0.02) =   0.005%
          QD    LYS+  66 - HN    GLN   30  18.67 +/- 2.22   1.001% *  0.2891% (0.22   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HN    LYS+  99  16.03 +/- 5.88   2.489% *  0.0483% (0.04   0.02   0.02) =   0.002%
          HB2   LYS+  74 - HN    LYS+  99  18.28 +/- 2.16   0.971% *  0.0807% (0.06   0.02   0.02) =   0.001%
          QG2   THR   26 - HN    LYS+  99  16.44 +/- 2.09   1.256% *  0.0619% (0.05   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  99  16.73 +/- 3.56   1.403% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  99  18.04 +/- 1.82   0.950% *  0.0415% (0.03   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    LYS+  99  20.49 +/- 2.16   0.653% *  0.0552% (0.04   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+  99  17.95 +/- 2.30   1.053% *  0.0190% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.386, support = 6.4, residual support = 159.0:
      O   HB2   GLN   30 - HN    GLN   30   3.02 +/- 0.64  46.086% * 86.1680% (0.41  10.0   6.38 159.18) =  89.308%  kept
          HG3   GLN   30 - HN    GLN   30   3.48 +/- 0.64  38.834% * 12.0948% (0.18   1.0   6.59 159.18) =  10.563%  kept
          HB3   GLU- 100 - HN    LYS+  99   5.84 +/- 0.82   8.866% *  0.5992% (0.02   1.0   2.55  39.18) =   0.119%  kept
          HG2   MET   11 - HN    GLN   30  18.41 +/- 5.98   1.631% *  0.1187% (0.57   1.0   0.02   0.02) =   0.004%
          HB2   GLU-  14 - HN    GLN   30  14.82 +/- 3.79   0.867% *  0.1103% (0.53   1.0   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    GLN   30  21.39 +/- 2.81   0.163% *  0.2023% (0.97   1.0   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HN    GLN   30  16.29 +/- 3.84   0.412% *  0.0715% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    GLN   30  24.96 +/- 3.38   0.097% *  0.1522% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  23.52 +/- 1.83   0.106% *  0.1356% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.33 +/- 4.08   0.145% *  0.0862% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  26.84 +/- 3.94   0.103% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  23.98 +/- 2.49   0.098% *  0.0940% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  14.51 +/- 3.09   0.616% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.50 +/- 0.74   0.353% *  0.0089% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  21.83 +/- 4.47   0.388% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.53 +/- 0.53   0.175% *  0.0133% (0.06   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  19.02 +/- 3.51   0.263% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  25.79 +/- 4.12   0.115% *  0.0100% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  23.00 +/- 3.92   0.138% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  16.17 +/- 2.53   0.385% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.16 +/- 5.78   0.081% *  0.0078% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.67 +/- 3.07   0.079% *  0.0062% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.933, support = 5.66, residual support = 26.5:
          HB3   GLU-  29 - HN    GLN   30   3.88 +/- 0.26  53.542% * 43.4865% (0.90   5.26  26.55) =  56.829%  kept
          HG3   GLU-  29 - HN    GLN   30   4.84 +/- 0.62  31.596% * 55.9546% (0.98   6.20  26.55) =  43.151%  kept
          QB    GLU-  36 - HN    GLN   30   9.33 +/- 0.61   3.856% *  0.1118% (0.61   0.02   0.02) =   0.011%
          HB3   GLU-  79 - HN    GLN   30  13.97 +/- 4.38   1.550% *  0.0969% (0.53   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HN    GLN   30  14.42 +/- 0.83   1.052% *  0.1118% (0.61   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    GLN   30  22.99 +/- 3.28   0.301% *  0.1826% (0.99   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    LYS+  99  19.95 +/- 4.03   3.322% *  0.0064% (0.03   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LYS+  99  12.15 +/- 1.52   2.073% *  0.0073% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.85 +/- 1.87   1.369% *  0.0073% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.34 +/- 3.18   0.578% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.49 +/- 3.08   0.465% *  0.0119% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  22.01 +/- 1.11   0.295% *  0.0120% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.38, residual support = 91.9:
      O   HB2   GLU-  29 - HN    GLU-  29   2.47 +/- 0.45  97.306% * 99.4303% (0.76  10.0   5.38  91.92) =  99.998%  kept
          HB3   ASP-  76 - HN    GLU-  29  14.65 +/- 3.36   0.828% *  0.1129% (0.87   1.0   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    GLU-  29  18.22 +/- 3.42   0.410% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  16.10 +/- 3.09   0.592% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  21.76 +/- 1.33   0.203% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  24.17 +/- 2.88   0.150% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  24.46 +/- 3.62   0.183% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  19.42 +/- 3.71   0.329% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.762, support = 5.44, residual support = 91.7:
      O   HB3   GLU-  29 - HN    GLU-  29   3.32 +/- 0.43  39.920% * 67.0773% (0.65  10.0   4.96  91.92) =  63.115%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.13 +/- 0.33  49.311% * 31.5411% (0.97   1.0   6.30  91.92) =  36.660%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.67 +/- 0.46   8.269% *  1.1408% (0.14   1.0   1.63   0.02) =   0.222%  kept
          QB    GLU-  36 - HN    GLU-  29  10.57 +/- 0.83   1.263% *  0.0354% (0.34   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  29  16.33 +/- 1.12   0.349% *  0.0899% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLU-  29  14.10 +/- 4.54   0.737% *  0.0288% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    GLU-  29  22.94 +/- 3.68   0.151% *  0.0866% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.3, residual support = 159.1:
      O   HG3   GLN   30 - HE21  GLN   30   3.91 +/- 0.36  40.233% * 85.9169% (0.99  10.0   3.20 159.18) =  85.566%  kept
          HB2   GLN   30 - HE21  GLN   30   3.84 +/- 0.63  42.832% * 13.5925% (0.80   1.0   3.92 159.18) =  14.412%  kept
          HB3   PRO   68 - HE21  GLN   30  15.07 +/- 3.66   4.407% *  0.0752% (0.87   1.0   0.02   0.02) =   0.008%
          QB    GLU-  15 - HE21  GLN   30   9.40 +/- 2.70   5.016% *  0.0422% (0.49   1.0   0.02   0.02) =   0.005%
          HB    ILE  119 - HE21  GLN   30  21.64 +/- 4.62   1.662% *  0.0694% (0.80   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HE21  GLN   30  10.61 +/- 1.92   2.323% *  0.0422% (0.49   1.0   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HE21  GLN   30  16.20 +/- 3.72   0.762% *  0.0752% (0.87   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HE21  GLN   30  12.44 +/- 1.38   1.539% *  0.0268% (0.31   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HE21  GLN   30  22.74 +/- 4.02   0.292% *  0.0422% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  23.16 +/- 2.71   0.240% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  26.03 +/- 4.16   0.203% *  0.0491% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  20.26 +/- 3.37   0.488% *  0.0193% (0.22   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 = 0.37, support = 1.4, residual support = 5.57:
          QD1   ILE   19 - HE21  GLN   30   3.79 +/- 1.75  49.639% * 75.7127% (0.41   1.50   5.59) =  81.899%  kept
          QG2   ILE   19 - HE21  GLN   30   4.47 +/- 1.95  40.146% * 20.3160% (0.18   0.94   5.59) =  17.773%  kept
          QD1   LEU   98 - HE21  GLN   30  12.08 +/- 2.69   3.640% *  2.2022% (0.90   0.02   0.02) =   0.175%  kept
          QD2   LEU  104 - HE21  GLN   30  13.92 +/- 2.30   4.501% *  1.3902% (0.57   0.02   0.02) =   0.136%  kept
          QG2   THR   46 - HE21  GLN   30  13.42 +/- 1.79   2.073% *  0.3789% (0.15   0.02   0.02) =   0.017%
    Distance limit 4.73 A violated in 1 structures by 0.15 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.362, support = 1.37, residual support = 5.56:
          QD1   ILE   19 - HE22  GLN   30   4.65 +/- 1.59  44.153% * 74.9084% (0.41   1.49   5.59) =  78.324%  kept
          QG2   ILE   19 - HE22  GLN   30   5.00 +/- 2.02  42.399% * 21.1240% (0.18   0.98   5.59) =  21.210%  kept
          QD1   LEU   98 - HE22  GLN   30  11.57 +/- 2.77   4.864% *  2.2002% (0.90   0.02   0.02) =   0.253%  kept
          QD2   LEU  104 - HE22  GLN   30  13.64 +/- 2.40   5.662% *  1.3889% (0.57   0.02   0.02) =   0.186%  kept
          QG2   THR   46 - HE22  GLN   30  13.17 +/- 1.81   2.922% *  0.3785% (0.15   0.02   0.02) =   0.026%
    Distance limit 4.88 A violated in 1 structures by 0.15 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 44.7:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.04  95.512% * 99.9819% (0.97  10.0   5.92  44.66) =  99.999%  kept
          HA    THR   77 - HN    GLN   32  17.16 +/- 4.58   4.488% *  0.0181% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.42, residual support = 44.7:
          QG    GLN   32 - HN    GLN   32   3.88 +/- 0.03  90.937% * 98.9075% (0.99   4.42  44.70) =  99.980%  kept
          QG    GLU-  79 - HN    GLN   32  14.59 +/- 4.00   2.907% *  0.3614% (0.80   0.02   0.02) =   0.012%
          HB2   GLU- 100 - HN    GLN   32  13.13 +/- 3.70   3.692% *  0.1005% (0.22   0.02   0.02) =   0.004%
          HB    VAL  107 - HN    GLN   32  21.44 +/- 1.13   0.553% *  0.3100% (0.69   0.02   0.02) =   0.002%
          HB3   PHE   45 - HN    GLN   32  18.73 +/- 2.88   0.984% *  0.1255% (0.28   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    GLN   32  21.91 +/- 2.83   0.617% *  0.1255% (0.28   0.02   0.02) =   0.001%
          HB2   GLN  116 - HN    GLN   32  27.13 +/- 2.85   0.310% *  0.0696% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.44, residual support = 44.7:
      O   QB    GLN   32 - HN    GLN   32   2.13 +/- 0.06  97.667% * 99.6924% (0.90  10.0   4.44  44.70) =  99.998%  kept
          HG3   GLU- 100 - HN    GLN   32  13.70 +/- 3.43   0.568% *  0.1090% (0.98   1.0   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    GLN   32  11.89 +/- 0.72   0.578% *  0.1052% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLN   32  19.30 +/- 4.20   0.717% *  0.0764% (0.69   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   32  16.24 +/- 4.66   0.470% *  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 = 0.749, support = 2.97, residual support = 5.95:
          HB3   GLN   30 - HN    GLN   32   5.23 +/- 0.29  37.703% * 73.6149% (0.99   2.51   1.74) =  69.456%  kept
          QB    LYS+  33 - HN    GLN   32   4.67 +/- 0.36  51.545% * 23.6168% (0.20   4.03  15.56) =  30.463%  kept
          HB3   LYS+  38 - HN    GLN   32  12.46 +/- 0.77   2.902% *  0.5315% (0.90   0.02   0.02) =   0.039%
          QB    LYS+  81 - HN    GLN   32  17.05 +/- 4.68   2.948% *  0.1829% (0.31   0.02   0.02) =   0.013%
          HG3   MET   11 - HN    GLN   32  20.47 +/- 5.79   2.247% *  0.1319% (0.22   0.02   0.02) =   0.007%
          QB    LYS+ 106 - HN    GLN   32  17.40 +/- 2.11   1.065% *  0.2022% (0.34   0.02   0.02) =   0.005%
          HB3   PRO   58 - HN    GLN   32  24.52 +/- 2.71   0.404% *  0.5315% (0.90   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    GLN   32  25.15 +/- 2.41   0.363% *  0.5874% (0.99   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    GLN   32  25.16 +/- 1.90   0.356% *  0.4529% (0.76   0.02   0.02) =   0.004%
          HB3   GLN   90 - HN    GLN   32  23.80 +/- 3.50   0.467% *  0.1478% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.53 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 = 5.92, residual support = 44.7:
          HB2   LEU   31 - HN    GLN   32   2.77 +/- 0.26  89.784% * 97.3700% (0.98   5.92  44.66) =  99.973%  kept
          HG2   LYS+  38 - HN    GLN   32  11.44 +/- 1.37   2.826% *  0.2035% (0.61   0.02   0.02) =   0.007%
          QB    ALA  124 - HN    GLN   32  24.24 +/- 6.46   1.939% *  0.2564% (0.76   0.02   0.02) =   0.006%
          HG    LEU   98 - HN    GLN   32  12.34 +/- 3.60   1.471% *  0.2170% (0.65   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    GLN   32  14.86 +/- 4.56   0.814% *  0.3347% (1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HN    GLN   32  14.34 +/- 2.67   0.871% *  0.2436% (0.73   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    GLN   32  18.99 +/- 2.56   0.544% *  0.3237% (0.97   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    GLN   32  16.51 +/- 1.84   0.499% *  0.3008% (0.90   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    GLN   32  15.74 +/- 3.45   0.604% *  0.1765% (0.53   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    GLN   32  17.78 +/- 2.94   0.375% *  0.0933% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  28.98 +/- 2.80   0.093% *  0.3173% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.10 +/- 2.55   0.179% *  0.1633% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.92, residual support = 44.7:
          HB3   LEU   31 - HN    GLN   32   3.90 +/- 0.19  89.210% * 98.9123% (0.98   5.92  44.66) =  99.978%  kept
          QG1   VAL   24 - HN    GLN   32  10.24 +/- 0.60   5.312% *  0.1930% (0.57   0.02   0.02) =   0.012%
          QB    ALA   20 - HN    GLN   32  12.52 +/- 0.95   2.973% *  0.1793% (0.53   0.02   0.02) =   0.006%
          HG13  ILE  119 - HN    GLN   32  23.43 +/- 3.70   0.667% *  0.3289% (0.97   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    GLN   32  25.31 +/- 3.44   0.406% *  0.2341% (0.69   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    GLN   32  19.06 +/- 1.20   0.819% *  0.0850% (0.25   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    GLN   32  25.40 +/- 5.10   0.612% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.51, residual support = 15.6:
          QG    GLN   32 - HN    LYS+  33   4.15 +/- 0.25  94.909% * 98.6886% (0.84   4.51  15.56) =  99.984%  kept
          QG    GLU-  79 - HN    LYS+  33  15.46 +/- 3.64   2.756% *  0.2758% (0.53   0.02   0.02) =   0.008%
          HB    VAL  107 - HN    LYS+  33  22.40 +/- 1.28   0.643% *  0.4840% (0.92   0.02   0.02) =   0.003%
          HB3   PHE   45 - HN    LYS+  33  20.05 +/- 2.31   0.975% *  0.2758% (0.53   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    LYS+  33  22.62 +/- 2.97   0.717% *  0.2758% (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 = 4.58, residual support = 15.6:
          QB    GLN   32 - HN    LYS+  33   2.77 +/- 0.17  93.493% * 98.5937% (1.00   4.58  15.56) =  99.979%  kept
          HB2   PRO   68 - HN    LYS+  33  18.44 +/- 4.05   2.507% *  0.3976% (0.92   0.02   0.02) =   0.011%
          HG3   GLU- 100 - HN    LYS+  33  13.46 +/- 3.34   1.289% *  0.3449% (0.80   0.02   0.02) =   0.005%
          HB    VAL   24 - HN    LYS+  33  13.53 +/- 0.65   0.840% *  0.4269% (0.99   0.02   0.02) =   0.004%
          HB2   GLU-  14 - HN    LYS+  33  15.06 +/- 4.35   1.635% *  0.0665% (0.15   0.02   0.02) =   0.001%
          HG2   PRO   58 - HN    LYS+  33  25.92 +/- 2.46   0.133% *  0.0852% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.85 +/- 3.48   0.102% *  0.0852% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.964, support = 6.13, residual support = 154.1:
      O   QB    LYS+  33 - HN    LYS+  33   2.33 +/- 0.24  82.176% * 97.8752% (0.97  10.0   6.13 154.33) =  99.873%  kept
          HB3   GLN   30 - HN    LYS+  33   5.46 +/- 0.30   7.399% *  1.2754% (0.38   1.0   0.67   0.47) =   0.117%  kept
          HG3   PRO   68 - HN    LYS+  33  18.58 +/- 4.28   7.739% *  0.0812% (0.80   1.0   0.02   0.02) =   0.008%
          HB3   LYS+  38 - HN    LYS+  33  11.26 +/- 0.54   0.820% *  0.0574% (0.57   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    LYS+  33  18.63 +/- 4.15   0.408% *  0.1014% (1.00   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    LYS+  33  16.79 +/- 3.41   0.272% *  0.0847% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  18.47 +/- 1.77   0.180% *  0.1012% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.38 +/- 1.75   0.188% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  25.69 +/- 2.78   0.073% *  0.1005% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  26.84 +/- 5.96   0.389% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.72 +/- 2.04   0.080% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.21 +/- 3.37   0.064% *  0.0880% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.55 +/- 1.91   0.063% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  24.69 +/- 2.68   0.092% *  0.0137% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.50 +/- 2.91   0.057% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 4.61, residual support = 154.3:
          HG2   LYS+  33 - HN    LYS+  33   3.30 +/- 0.37  98.605% * 98.6677% (0.61   4.61 154.33) =  99.991%  kept
          QG    LYS+  81 - HN    LYS+  33  19.19 +/- 3.89   0.889% *  0.6514% (0.92   0.02   0.02) =   0.006%
          HG2   LYS+ 106 - HN    LYS+  33  20.17 +/- 2.19   0.506% *  0.6810% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.366, support = 5.56, residual support = 143.0:
          HG3   LYS+  33 - HN    LYS+  33   2.86 +/- 0.85  69.279% * 74.4841% (0.38   5.82 154.33) =  92.602%  kept
          HB2   LEU   31 - HN    LYS+  33   5.01 +/- 0.20  20.769% * 19.6465% (0.25   2.31   1.01) =   7.322%  kept
          HG    LEU   98 - HN    LYS+  33  13.18 +/- 3.19   1.785% *  0.5914% (0.87   0.02   0.02) =   0.019%
          HB3   LEU   73 - HN    LYS+  33  11.60 +/- 2.87   2.155% *  0.3587% (0.53   0.02   0.02) =   0.014%
          HB    VAL   42 - HN    LYS+  33  13.17 +/- 1.95   1.424% *  0.3056% (0.45   0.02   0.02) =   0.008%
          HG3   LYS+ 102 - HN    LYS+  33  16.38 +/- 4.53   0.934% *  0.3860% (0.57   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    LYS+  33  17.27 +/- 2.91   0.553% *  0.6449% (0.95   0.02   0.02) =   0.006%
          QB    ALA  124 - HN    LYS+  33  23.82 +/- 6.89   0.613% *  0.5210% (0.76   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HN    LYS+  33  17.23 +/- 1.51   0.489% *  0.4135% (0.61   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LYS+  33  19.53 +/- 2.03   0.344% *  0.5210% (0.76   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    LYS+  33  16.41 +/- 4.00   0.676% *  0.2559% (0.38   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LYS+  33  24.17 +/- 2.25   0.190% *  0.6579% (0.97   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    LYS+  33  19.08 +/- 2.50   0.320% *  0.3318% (0.49   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LYS+  33  20.00 +/- 2.97   0.258% *  0.3056% (0.45   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LYS+  33  27.11 +/- 3.15   0.124% *  0.4410% (0.65   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    LYS+  33  29.98 +/- 3.11   0.087% *  0.1349% (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 = 0.648, support = 0.81, residual support = 1.01:
          QD2   LEU   31 - HN    LYS+  33   5.08 +/- 0.18  90.818% * 93.1349% (0.65   0.81   1.01) =  99.626%  kept
          QG2   VAL   83 - HN    LYS+  33  13.61 +/- 3.08   6.088% *  3.5126% (0.99   0.02   0.02) =   0.252%  kept
          QD1   ILE   89 - HN    LYS+  33  16.24 +/- 2.07   3.094% *  3.3525% (0.95   0.02   0.02) =   0.122%  kept
    Distance limit 4.73 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.881, support = 3.2, residual support = 5.18:
          HA    LYS+  33 - HN    ASN   35   3.49 +/- 0.15  47.253% * 76.0439% (0.98   3.41   5.55) =  83.808%  kept
          HA    GLN   32 - HN    ASN   35   3.84 +/- 0.22  35.933% * 18.5060% (0.38   2.17   3.38) =  15.510%  kept
          HB2   SER   37 - HN    ASN   35   6.18 +/- 0.67   9.215% *  2.8265% (0.15   0.80   0.02) =   0.607%  kept
          HA    GLU-  29 - HN    ASN   35   7.90 +/- 0.75   4.619% *  0.4542% (1.00   0.02   0.02) =   0.049%
          HA    VAL   18 - HN    ASN   35  14.23 +/- 2.03   0.912% *  0.4512% (0.99   0.02   0.02) =   0.010%
          HA    VAL   70 - HN    ASN   35  12.64 +/- 1.61   1.149% *  0.3479% (0.76   0.02   0.02) =   0.009%
          HB2   SER   82 - HN    ASN   35  19.45 +/- 3.96   0.371% *  0.4393% (0.97   0.02   0.02) =   0.004%
          HA    GLN  116 - HN    ASN   35  25.46 +/- 3.18   0.150% *  0.3479% (0.76   0.02   0.02) =   0.001%
          HA    SER   48 - HN    ASN   35  25.60 +/- 3.26   0.146% *  0.2945% (0.65   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    ASN   35  23.39 +/- 2.27   0.166% *  0.1872% (0.41   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    ASN   35  29.60 +/- 2.65   0.085% *  0.1014% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.96, residual support = 52.0:
          HA    GLU-  36 - HN    ASN   35   4.98 +/- 0.09  81.335% * 98.5261% (0.97   3.96  51.98) =  99.959%  kept
          HA    ASN   28 - HN    ASN   35   9.39 +/- 0.79  13.883% *  0.1020% (0.20   0.02   0.02) =   0.018%
          HA    LYS+  81 - HN    ASN   35  21.87 +/- 4.18   1.760% *  0.5145% (1.00   0.02   0.02) =   0.011%
          HA    ALA  124 - HN    ASN   35  26.86 +/- 7.60   1.612% *  0.4129% (0.80   0.02   0.02) =   0.008%
          HA    ARG+  54 - HN    ASN   35  27.30 +/- 3.53   0.602% *  0.3542% (0.69   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ASN   35  24.15 +/- 2.41   0.808% *  0.0903% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.18 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 = 0.37, support = 5.53, residual support = 50.2:
      O   HB2   ASN   35 - HN    ASN   35   3.07 +/- 0.42  69.407% * 71.1112% (0.31  10.0   5.83  54.57) =  91.044%  kept
          QE    LYS+  33 - HN    ASN   35   5.78 +/- 0.93  17.257% * 28.0615% (1.00   1.0   2.44   5.55) =   8.933%  kept
          HB2   ASN   28 - HN    ASN   35  10.97 +/- 0.80   1.864% *  0.2223% (0.97   1.0   0.02   0.02) =   0.008%
          HB2   ASP-  76 - HN    ASN   35  18.68 +/- 4.97   5.301% *  0.0574% (0.25   1.0   0.02   0.02) =   0.006%
          HB2   ASP-  78 - HN    ASN   35  22.56 +/- 5.58   1.515% *  0.1583% (0.69   1.0   0.02   0.02) =   0.004%
          HB2   ASN   69 - HN    ASN   35  14.99 +/- 3.51   3.814% *  0.0403% (0.18   1.0   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    ASN   35  19.56 +/- 2.35   0.432% *  0.1999% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   35  18.58 +/- 3.60   0.410% *  0.1490% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.45, residual support = 21.3:
          QB    ALA   34 - HN    ASN   35   3.01 +/- 0.04  81.510% * 98.0766% (0.92   3.45  21.35) =  99.940%  kept
          HG3   LYS+  38 - HN    ASN   35   7.66 +/- 0.91   6.418% *  0.3484% (0.57   0.02   0.02) =   0.028%
          QG2   THR   39 - HN    ASN   35   6.63 +/- 0.98   9.294% *  0.1899% (0.31   0.02   0.02) =   0.022%
          QG2   THR   23 - HN    ASN   35  14.60 +/- 0.84   0.734% *  0.6031% (0.98   0.02   0.02) =   0.006%
          QG2   THR   77 - HN    ASN   35  17.75 +/- 3.78   1.642% *  0.1218% (0.20   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    ASN   35  22.27 +/- 1.66   0.214% *  0.4702% (0.76   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    ASN   35  22.97 +/- 1.28   0.188% *  0.1899% (0.31   0.02   0.02) =   0.000%
    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 = 3.86, residual support = 94.5:
      O   HB2   ASN   28 - HD21  ASN   28   3.95 +/- 0.07  77.518% * 99.6076% (0.97  10.0   3.86  94.53) =  99.976%  kept
          HB2   ASP-  86 - HD21  ASN   28  10.78 +/- 5.60  12.184% *  0.0953% (0.92   1.0   0.02   0.02) =   0.015%
          QE    LYS+  33 - HD21  ASN   28  11.95 +/- 1.09   3.123% *  0.0926% (0.90   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  78 - HD21  ASN   28  14.27 +/- 3.30   3.920% *  0.0387% (0.38   1.0   0.02   0.02) =   0.002%
          QE    LYS+  65 - HD21  ASN   28  18.57 +/- 3.21   1.404% *  0.1032% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASN   35 - HD21  ASN   28  14.24 +/- 1.39   1.852% *  0.0626% (0.61   1.0   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.48, residual support = 94.3:
      O   HB3   ASN   28 - HD21  ASN   28   4.03 +/- 0.05  88.328% * 97.7332% (0.90  10.0   3.49  94.53) =  99.759%  kept
          HG2   GLN   30 - HD21  ASN   28   8.71 +/- 0.85   9.678% *  2.1468% (1.00   1.0   0.39  18.90) =   0.240%  kept
          HB3   HIS  122 - HD21  ASN   28  23.34 +/- 5.07   1.349% *  0.0409% (0.38   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  22.37 +/- 3.21   0.644% *  0.0791% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.03, residual support = 14.7:
          QG2   VAL   24 - HD21  ASN   28   2.18 +/- 0.44  98.219% * 97.1668% (0.76   2.03  14.66) =  99.986%  kept
          HG    LEU   63 - HD21  ASN   28  18.12 +/- 3.33   0.792% *  1.1215% (0.90   0.02   0.02) =   0.009%
          HG3   LYS+ 112 - HD21  ASN   28  21.94 +/- 3.30   0.186% *  1.2069% (0.97   0.02   0.02) =   0.002%
          QG2   VAL  108 - HD21  ASN   28  16.69 +/- 3.28   0.430% *  0.3118% (0.25   0.02   0.02) =   0.001%
          HB2   LEU  104 - HD21  ASN   28  17.97 +/- 2.64   0.372% *  0.1930% (0.15   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 = 5.01, residual support = 47.1:
      O   HA    TRP   27 - HN    ASN   28   3.60 +/- 0.03  98.542% * 99.7755% (1.00  10.0   5.01  47.09) =  99.999%  kept
          HA    ALA   91 - HN    ASN   28  21.01 +/- 3.62   0.654% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    ASN   28  22.10 +/- 1.16   0.436% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.49 +/- 3.67   0.368% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.57, residual support = 14.7:
          HA    VAL   24 - HN    ASN   28   3.83 +/- 0.33  95.021% * 99.5310% (0.92   6.57  14.66) =  99.992%  kept
          HD2   PRO   68 - HN    ASN   28  18.96 +/- 3.31   1.494% *  0.1991% (0.61   0.02   0.02) =   0.003%
          HA    LYS+  38 - HN    ASN   28  15.18 +/- 1.29   2.099% *  0.1350% (0.41   0.02   0.02) =   0.003%
          HA    ALA   61 - HN    ASN   28  16.65 +/- 1.98   1.386% *  0.1350% (0.41   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.29, residual support = 47.1:
          HB2   TRP   27 - HN    ASN   28   3.22 +/- 0.26  97.000% * 99.2336% (0.80   5.29  47.09) =  99.988%  kept
          HA    THR   77 - HN    ASN   28  13.29 +/- 3.88   2.594% *  0.3913% (0.84   0.02   0.02) =   0.011%
          HD2   PRO   93 - HN    ASN   28  21.46 +/- 2.77   0.406% *  0.3751% (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 = 6.28, residual support = 94.5:
      O   HB2   ASN   28 - HN    ASN   28   2.43 +/- 0.16  95.305% * 99.6076% (0.97  10.0   6.28  94.53) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   28   9.62 +/- 1.24   1.967% *  0.0926% (0.90   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ASN   28  13.42 +/- 5.45   1.202% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    ASN   28  13.17 +/- 1.01   0.662% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  17.72 +/- 2.88   0.339% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  15.32 +/- 3.29   0.524% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.899, support = 5.91, residual support = 92.8:
      O   HB3   ASN   28 - HN    ASN   28   3.53 +/- 0.01  78.077% * 91.6011% (0.90  10.0   6.01  94.53) =  97.671%  kept
          HG2   GLN   30 - HN    ASN   28   5.81 +/- 0.74  20.571% *  8.2864% (1.00   1.0   1.63  18.90) =   2.328%  kept
          HB3   HIS  122 - HN    ASN   28  23.30 +/- 5.22   1.001% *  0.0383% (0.38   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HN    ASN   28  22.84 +/- 3.13   0.351% *  0.0742% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.584, support = 2.25, residual support = 16.5:
          HB2   GLU-  25 - HN    ASN   28   5.56 +/- 0.19  44.000% * 55.0955% (0.90   1.07   3.99) =  55.314%  kept
          HG3   GLU-  29 - HN    ASN   28   5.48 +/- 0.44  46.360% * 42.1044% (0.20   3.71  32.17) =  44.539%  kept
          QG    GLN   17 - HN    ASN   28  15.11 +/- 1.80   2.640% *  0.9181% (0.80   0.02   0.02) =   0.055%
          HB    VAL   70 - HN    ASN   28  15.85 +/- 1.64   2.102% *  0.8326% (0.73   0.02   0.02) =   0.040%
          HB2   MET   96 - HN    ASN   28  14.31 +/- 3.13   3.304% *  0.3539% (0.31   0.02   0.02) =   0.027%
          HB2   LYS+  38 - HN    ASN   28  17.37 +/- 1.39   1.594% *  0.6955% (0.61   0.02   0.02) =   0.025%
    Distance limit 4.74 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.485, support = 3.43, residual support = 14.7:
          QG2   VAL   24 - HN    ASN   28   3.70 +/- 0.33  68.501% * 56.6502% (0.45   3.83  14.66) =  76.693%  kept
          QG1   VAL   24 - HN    ASN   28   5.09 +/- 0.42  27.911% * 42.2149% (0.61   2.11  14.66) =  23.286%  kept
          HG    LEU   63 - HN    ASN   28  17.93 +/- 2.99   2.439% *  0.2038% (0.31   0.02   0.02) =   0.010%
          QG1   VAL  107 - HN    ASN   28  18.48 +/- 1.37   0.674% *  0.6096% (0.92   0.02   0.02) =   0.008%
          HD3   LYS+ 112 - HN    ASN   28  23.04 +/- 3.92   0.475% *  0.3215% (0.49   0.02   0.02) =   0.003%
    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 = 0.44, support = 2.75, residual support = 1.29:
          QD2   LEU   80 - HN    ASN   28   6.79 +/- 4.71  30.324% * 53.6595% (0.45   3.00   1.70) =  58.643%  kept
          QD1   LEU   73 - HN    ASN   28   5.75 +/- 2.56  37.165% * 20.4398% (0.15   3.32   1.06) =  27.377%  kept
          QG1   VAL   83 - HN    ASN   28   8.59 +/- 4.61  15.901% * 23.3596% (1.00   0.59   0.02) =  13.387%  kept
          QD1   LEU   63 - HN    ASN   28  15.00 +/- 3.08  11.685% *  1.2141% (0.15   0.20   0.02) =   0.511%  kept
          QD1   LEU  104 - HN    ASN   28  16.03 +/- 2.47   1.801% *  0.5477% (0.69   0.02   0.02) =   0.036%
          QG2   ILE   89 - HN    ASN   28  13.30 +/- 3.06   2.178% *  0.4514% (0.57   0.02   0.02) =   0.035%
          QD2   LEU  115 - HN    ASN   28  18.33 +/- 2.07   0.946% *  0.3278% (0.41   0.02   0.02) =   0.011%
    Distance limit 4.98 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 = 3.05, residual support = 27.0:
          HA    VAL   24 - HN    TRP   27   3.07 +/- 0.14  95.686% * 99.0282% (0.99   3.05  26.96) =  99.992%  kept
          HA    LYS+  38 - HN    TRP   27  16.31 +/- 1.15   0.773% *  0.4762% (0.73   0.02   0.02) =   0.004%
          HD2   PRO   68 - HN    TRP   27  18.30 +/- 3.14   0.882% *  0.2024% (0.31   0.02   0.02) =   0.002%
          HA    ALA   61 - HN    TRP   27  15.32 +/- 2.11   1.043% *  0.1148% (0.18   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    ALA   91  17.65 +/- 3.49   0.666% *  0.0803% (0.12   0.02   0.02) =   0.001%
          HA    LYS+  38 - HN    ALA   91  26.89 +/- 1.62   0.154% *  0.0588% (0.09   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  18.54 +/- 3.07   0.553% *  0.0142% (0.02   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  23.30 +/- 2.38   0.241% *  0.0250% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.37, residual support = 100.8:
      O   HB2   TRP   27 - HN    TRP   27   2.05 +/- 0.05  91.740% * 99.8160% (0.99  10.0   5.37 100.77) =  99.999%  kept
          HD2   PRO   93 - HN    ALA   91   6.42 +/- 1.21   4.249% *  0.0123% (0.12   1.0   0.02   0.02) =   0.001%
          HA    THR   77 - HN    TRP   27  12.89 +/- 3.72   0.589% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   9.54 +/- 2.97   3.167% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.90 +/- 2.82   0.100% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  18.24 +/- 3.29   0.156% *  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 = 100.8:
      O   HB3   TRP   27 - HN    TRP   27   3.13 +/- 0.16  91.104% * 99.6559% (0.99  10.0   5.64 100.77) =  99.998%  kept
          HB2   PHE   97 - HN    TRP   27  18.75 +/- 1.33   0.450% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.28 +/- 2.72   0.782% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.30 +/- 1.57   0.604% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  19.12 +/- 2.56   0.483% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  17.82 +/- 1.97   0.693% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  12.79 +/- 2.15   2.082% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.31 +/- 4.02   0.683% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.21 +/- 1.04   0.709% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  18.04 +/- 3.09   0.551% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  16.57 +/- 3.02   0.845% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  21.07 +/- 1.99   0.364% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  18.62 +/- 1.90   0.490% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  26.47 +/- 1.72   0.161% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.711, residual support = 1.41:
          HB3   CYS   21 - HN    TRP   27   4.06 +/- 1.82  80.438% * 96.1674% (0.53   0.71   1.41) =  99.797%  kept
          HG2   MET   96 - HN    TRP   27  16.13 +/- 3.42   3.108% *  3.1140% (0.61   0.02   0.02) =   0.125%  kept
          HG2   MET   96 - HN    ALA   91  12.23 +/- 1.47  10.544% *  0.3848% (0.07   0.02   0.02) =   0.052%
          HB3   CYS   21 - HN    ALA   91  20.10 +/- 3.44   5.909% *  0.3338% (0.07   0.02   0.02) =   0.025%
    Distance limit 4.40 A violated in 3 structures by 0.59 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.979, support = 4.44, residual support = 22.5:
          QG2   THR   26 - HN    TRP   27   3.47 +/- 0.29  80.473% * 91.2702% (0.98   4.45  22.65) =  99.556%  kept
          HB2   LYS+  74 - HN    TRP   27  10.06 +/- 2.13   4.583% *  6.8119% (0.80   0.41   0.02) =   0.423%  kept
          QD    LYS+  66 - HN    TRP   27  18.50 +/- 2.55   1.244% *  0.3195% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HN    TRP   27  17.07 +/- 2.84   0.910% *  0.4172% (1.00   0.02   0.02) =   0.005%
          HD3   LYS+  74 - HN    TRP   27  12.13 +/- 2.63   3.381% *  0.0732% (0.18   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - HN    TRP   27  24.90 +/- 3.32   0.290% *  0.4172% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    TRP   27  16.13 +/- 1.33   0.913% *  0.0827% (0.20   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    TRP   27  19.63 +/- 2.19   0.551% *  0.1163% (0.28   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HN    TRP   27  25.13 +/- 4.25   0.374% *  0.1163% (0.28   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    ALA   91  22.01 +/- 4.67   0.790% *  0.0515% (0.12   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    ALA   91  17.40 +/- 1.90   0.838% *  0.0414% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  19.53 +/- 2.58   0.549% *  0.0506% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  21.30 +/- 2.45   0.430% *  0.0515% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.40 +/- 2.96   0.242% *  0.0827% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  13.76 +/- 2.45   1.822% *  0.0102% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  21.65 +/- 2.81   0.443% *  0.0395% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  17.09 +/- 2.22   0.930% *  0.0090% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  19.98 +/- 2.09   0.506% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  21.53 +/- 2.35   0.406% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  22.35 +/- 1.23   0.325% *  0.0102% (0.02   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 = 0.907, support = 3.1, residual support = 16.6:
          QD1   LEU   73 - HN    TRP   27   4.87 +/- 2.63  34.780% * 54.3348% (1.00   3.19  21.30) =  61.649%  kept
          QD2   LEU   80 - HN    TRP   27   6.41 +/- 4.94  28.588% * 39.7826% (0.76   3.05   9.37) =  37.101%  kept
          QD1   LEU   63 - HN    TRP   27  14.40 +/- 3.08   7.320% *  3.3624% (1.00   0.20   0.02) =   0.803%  kept
          QG1   VAL   83 - HN    TRP   27   9.17 +/- 4.60   7.126% *  1.6036% (0.15   0.61   0.68) =   0.373%  kept
          QD2   LEU   63 - HN    TRP   27  13.73 +/- 2.72   7.622% *  0.2071% (0.61   0.02   0.02) =   0.051%
          QG2   VAL   41 - HN    TRP   27   9.39 +/- 2.41   4.383% *  0.0462% (0.14   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    TRP   27  16.92 +/- 2.27   0.783% *  0.1797% (0.53   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    TRP   27  17.84 +/- 2.25   0.493% *  0.2734% (0.80   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    ALA   91  12.20 +/- 1.62   1.551% *  0.0338% (0.10   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ALA   91  12.12 +/- 0.88   1.316% *  0.0322% (0.09   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   91  14.74 +/- 1.93   1.001% *  0.0421% (0.12   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   91  15.13 +/- 2.97   0.882% *  0.0421% (0.12   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   91  15.70 +/- 2.66   0.727% *  0.0256% (0.07   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   91  17.37 +/- 2.38   0.752% *  0.0222% (0.07   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    ALA   91  10.69 +/- 0.99   1.994% *  0.0065% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.60 +/- 1.68   0.682% *  0.0057% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.949, support = 0.854, residual support = 3.16:
          QG2   VAL   75 - HN    TRP   27   7.84 +/- 3.21  50.342% * 74.5374% (0.95   0.91   3.46) =  90.964%  kept
          QG2   VAL   42 - HN    TRP   27  12.23 +/- 1.62  14.595% * 25.0469% (1.00   0.29   0.15) =   8.862%  kept
          QG2   VAL   75 - HN    ALA   91  10.86 +/- 1.80  26.189% *  0.2023% (0.12   0.02   0.02) =   0.128%  kept
          QG2   VAL   42 - HN    ALA   91  13.89 +/- 1.06   8.874% *  0.2134% (0.12   0.02   0.02) =   0.046%
    Distance limit 4.59 A violated in 14 structures by 2.19 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.854, support = 1.6, residual support = 13.5:
          QD1   LEU   73 - HE1   TRP   27   6.24 +/- 1.90  22.966% * 41.5584% (0.87   1.82  21.30) =  45.840%  kept
          QD2   LEU   80 - HE1   TRP   27   5.58 +/- 4.17  17.462% * 45.9938% (0.99   1.76   9.37) =  38.574%  kept
          QG1   VAL   83 - HE1   TRP   27   5.37 +/- 4.95  40.404% *  6.7976% (0.41   0.63   0.68) =  13.191%  kept
          QD1   LEU   63 - HE1   TRP   27  13.48 +/- 3.28  10.575% *  4.5188% (0.87   0.20   0.02) =   2.295%  kept
          QD2   LEU   63 - HE1   TRP   27  13.06 +/- 2.96   6.200% *  0.1468% (0.28   0.02   0.02) =   0.044%
          QD2   LEU  115 - HE1   TRP   27  15.82 +/- 1.93   1.182% *  0.5267% (1.00   0.02   0.02) =   0.030%
          QD1   LEU  104 - HE1   TRP   27  13.95 +/- 2.74   1.210% *  0.4579% (0.87   0.02   0.02) =   0.027%
    Distance limit 4.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.624, support = 1.5, residual support = 13.5:
          QD2   LEU   31 - HE1   TRP   27   4.14 +/- 0.90  57.804% * 45.9761% (0.31   2.12  20.58) =  53.828%  kept
          QG2   VAL   43 - HE1   TRP   27   5.86 +/- 3.20  42.196% * 54.0239% (0.99   0.78   5.27) =  46.172%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.77, residual support = 32.2:
          HB2   GLU-  25 - HN    THR   26   2.92 +/- 0.22  84.363% * 98.9902% (0.90   5.77  32.18) =  99.982%  kept
          HG3   GLU-  29 - HN    THR   26   5.66 +/- 0.68  13.571% *  0.0757% (0.20   0.02   0.69) =   0.012%
          QG    GLN   17 - HN    THR   26  14.91 +/- 1.95   0.814% *  0.3063% (0.80   0.02   0.02) =   0.003%
          HB    VAL   70 - HN    THR   26  17.53 +/- 1.52   0.439% *  0.2777% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    THR   26  19.93 +/- 1.30   0.278% *  0.2320% (0.61   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    THR   26  17.09 +/- 3.00   0.535% *  0.1181% (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 = 5.21, residual support = 32.1:
          HB3   GLU-  25 - HN    THR   26   3.47 +/- 0.21  70.896% * 95.4670% (0.57   5.22  32.18) =  99.829%  kept
          HG3   GLN   30 - HN    THR   26   7.04 +/- 0.81  10.264% *  0.5397% (0.84   0.02   4.88) =   0.082%
          HB2   GLN   30 - HN    THR   26   7.64 +/- 0.98   8.509% *  0.3400% (0.53   0.02   4.88) =   0.043%
          HB2   GLN   17 - HN    THR   26  16.42 +/- 2.47   1.662% *  0.4938% (0.76   0.02   0.02) =   0.012%
          HB3   PRO   68 - HN    THR   26  21.67 +/- 4.92   1.210% *  0.6447% (1.00   0.02   0.02) =   0.012%
          QB    GLU-  15 - HN    THR   26  15.70 +/- 2.11   1.022% *  0.4938% (0.76   0.02   0.02) =   0.007%
          HB    ILE   19 - HN    THR   26   9.88 +/- 1.21   3.893% *  0.1279% (0.20   0.02   0.02) =   0.007%
          HB3   GLU- 100 - HN    THR   26  21.54 +/- 3.31   0.353% *  0.3919% (0.61   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    THR   26  26.21 +/- 3.87   0.308% *  0.3400% (0.53   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    THR   26  28.20 +/- 3.02   0.166% *  0.5397% (0.84   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR   26  21.68 +/- 4.63   0.875% *  0.0997% (0.15   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    THR   26  24.10 +/- 4.17   0.393% *  0.1611% (0.25   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    THR   26  25.01 +/- 2.56   0.214% *  0.1994% (0.31   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    THR   26  24.36 +/- 2.42   0.237% *  0.1611% (0.25   0.02   0.02) =   0.001%
    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   3.64 +/- 0.05  92.350% * 98.0812% (0.95   4.45  34.69) =  99.970%  kept
          HB2   LYS+  74 - HN    THR   26  11.70 +/- 2.16   3.639% *  0.4618% (0.99   0.02   0.02) =   0.019%
          HG2   LYS+  65 - HN    THR   26  18.71 +/- 2.94   0.907% *  0.4178% (0.90   0.02   0.02) =   0.004%
          QD    LYS+  66 - HN    THR   26  20.13 +/- 2.82   1.197% *  0.2089% (0.45   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    THR   26  18.30 +/- 1.40   0.777% *  0.2089% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    THR   26  27.10 +/- 3.36   0.276% *  0.3891% (0.84   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    THR   26  24.88 +/- 3.31   0.443% *  0.1162% (0.25   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    THR   26  23.65 +/- 2.97   0.410% *  0.1162% (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 = 0.644, support = 0.02, residual support = 0.02:
          HB2   LEU   31 - HN    THR   26   9.80 +/- 0.39  27.026% * 11.0578% (0.69   0.02   0.02) =  31.667%  kept
          HB3   LEU   80 - HN    THR   26  11.57 +/- 5.22  26.498% *  8.4695% (0.53   0.02   0.02) =  23.782%  kept
          QG2   THR   77 - HN    THR   26  13.21 +/- 2.78  14.375% *  7.8357% (0.49   0.02   0.02) =  11.935%  kept
          QB    ALA   88 - HN    THR   26  17.88 +/- 3.81   6.378% * 13.9639% (0.87   0.02   0.02) =   9.437%  kept
          HG2   LYS+  38 - HN    THR   26  19.51 +/- 1.67   3.952% * 16.0623% (1.00   0.02   0.02) =   6.727%  kept
          HB3   ASP-  44 - HN    THR   26  15.84 +/- 2.87   9.038% *  4.9686% (0.31   0.02   0.02) =   4.759%  kept
          HG2   LYS+  99 - HN    THR   26  21.66 +/- 2.00   2.724% * 15.5357% (0.97   0.02   0.02) =   4.485%  kept
          HB2   LEU   63 - HN    THR   26  19.12 +/- 2.91   5.922% *  6.6181% (0.41   0.02   0.02) =   4.153%  kept
          HG2   LYS+ 111 - HN    THR   26  28.24 +/- 3.87   1.735% * 12.3026% (0.76   0.02   0.02) =   2.262%  kept
          QB    ALA  124 - HN    THR   26  26.82 +/- 4.68   2.352% *  3.1858% (0.20   0.02   0.02) =   0.794%  kept
    Distance limit 4.65 A violated in 20 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.64, residual support = 33.0:
      O   HA    VAL   24 - HN    GLU-  25   3.60 +/- 0.03  97.548% * 99.8455% (0.92  10.0   5.64  33.00) =  99.999%  kept
          HD2   PRO   68 - HN    GLU-  25  21.83 +/- 3.71   0.829% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA   61 - HN    GLU-  25  18.27 +/- 2.37   0.948% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.62 +/- 1.43   0.675% *  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   3.03 +/- 0.28  86.897% * 99.5608% (0.61  10.0   6.14 127.42) =  99.991%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.28 +/- 0.67   7.183% *  0.0736% (0.45   1.0   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    GLU-  25   8.78 +/- 0.65   4.241% *  0.0253% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    GLU-  25  16.89 +/- 1.90   0.609% *  0.0799% (0.49   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLU-  25  21.71 +/- 1.58   0.255% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  18.97 +/- 1.87   0.408% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  20.33 +/- 4.34   0.408% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.85, residual support = 127.4:
      O   HB3   GLU-  25 - HN    GLU-  25   2.28 +/- 0.53  90.431% * 98.7761% (0.57  10.0   5.85 127.42) =  99.990%  kept
          HG3   GLN   30 - HN    GLU-  25   9.46 +/- 0.76   2.026% *  0.1457% (0.84   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    GLU-  25   9.76 +/- 0.97   2.522% *  0.0918% (0.53   1.0   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    GLU-  25  18.66 +/- 2.28   0.798% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    GLU-  25  23.29 +/- 5.07   0.451% *  0.1741% (1.00   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    GLU-  25  17.95 +/- 2.11   0.494% *  0.1333% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  25  12.16 +/- 1.13   1.305% *  0.0345% (0.20   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLU-  25  26.93 +/- 3.87   0.272% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  24.22 +/- 4.67   0.469% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  23.22 +/- 4.83   0.697% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  22.51 +/- 3.20   0.168% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  27.97 +/- 3.46   0.107% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.31 +/- 2.57   0.152% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  24.55 +/- 3.18   0.108% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.26, residual support = 5.94:
          QG2   THR   23 - HN    GLU-  25   3.79 +/- 1.05  87.312% * 98.6135% (0.73   3.26   5.94) =  99.940%  kept
          QG2   THR   77 - HN    GLU-  25  12.65 +/- 2.78   4.829% *  0.6046% (0.73   0.02   0.02) =   0.034%
          QB    ALA   34 - HN    GLU-  25  12.09 +/- 0.68   3.900% *  0.3125% (0.38   0.02   0.02) =   0.014%
          QB    ALA   88 - HN    GLU-  25  16.69 +/- 4.03   2.849% *  0.2840% (0.34   0.02   0.02) =   0.009%
          QG2   ILE   56 - HN    GLU-  25  20.43 +/- 3.46   1.110% *  0.1854% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.51, residual support = 33.0:
          QG2   VAL   24 - HN    GLU-  25   3.32 +/- 0.49  97.178% * 99.2290% (0.97   4.51  33.00) =  99.991%  kept
          HG    LEU   63 - HN    GLU-  25  20.26 +/- 3.51   1.857% *  0.3955% (0.87   0.02   0.02) =   0.008%
          HG3   LYS+ 112 - HN    GLU-  25  24.10 +/- 3.85   0.452% *  0.2044% (0.45   0.02   0.02) =   0.001%
          QG1   VAL  107 - HN    GLU-  25  20.36 +/- 1.96   0.514% *  0.1711% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.26, residual support = 127.4:
          HG2   GLU-  25 - HN    GLU-  25   3.94 +/- 0.57  96.521% * 99.4300% (0.97   5.26 127.42) =  99.995%  kept
          HB3   TRP   87 - HN    GLU-  25  17.27 +/- 4.25   2.020% *  0.1208% (0.31   0.02   0.02) =   0.003%
          HB3   PHE   95 - HN    GLU-  25  20.67 +/- 1.93   0.798% *  0.1906% (0.49   0.02   0.02) =   0.002%
          HG2   GLN  116 - HN    GLU-  25  26.91 +/- 3.87   0.334% *  0.1610% (0.41   0.02   0.02) =   0.001%
          HG3   GLN  116 - HN    GLU-  25  27.48 +/- 4.06   0.327% *  0.0976% (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 = 4.04, residual support = 62.8:
      O   HA    VAL   24 - HN    VAL   24   2.74 +/- 0.05  98.527% * 99.8455% (0.92  10.0   4.04  62.83) =  99.999%  kept
          HD2   PRO   68 - HN    VAL   24  20.79 +/- 3.63   0.510% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   24  16.48 +/- 2.71   0.682% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.28 +/- 1.69   0.281% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.38, residual support = 62.8:
      O   HB    VAL   24 - HN    VAL   24   2.52 +/- 0.26  86.771% * 99.7135% (0.95  10.0   4.38  62.83) =  99.996%  kept
          HB3   GLU-  79 - HN    VAL   24   8.95 +/- 5.84  11.673% *  0.0163% (0.15   1.0   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    VAL   24  12.07 +/- 0.72   0.905% *  0.0945% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    VAL   24  22.49 +/- 4.78   0.521% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  23.25 +/- 2.14   0.130% *  0.1033% (0.98   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 = 4.75, residual support = 17.2:
          QG2   THR   23 - HN    VAL   24   3.83 +/- 0.55  86.456% * 99.0436% (0.73   4.75  17.18) =  99.953%  kept
          QG2   THR   77 - HN    VAL   24  10.95 +/- 2.58   6.373% *  0.4170% (0.73   0.02   0.02) =   0.031%
          QB    ALA   34 - HN    VAL   24  12.55 +/- 0.85   3.050% *  0.2155% (0.38   0.02   0.02) =   0.008%
          QB    ALA   88 - HN    VAL   24  15.72 +/- 3.90   2.773% *  0.1959% (0.34   0.02   0.02) =   0.006%
          QG2   ILE   56 - HN    VAL   24  18.65 +/- 3.65   1.349% *  0.1279% (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 = 0.847, support = 3.87, residual support = 62.8:
          QG1   VAL   24 - HN    VAL   24   2.07 +/- 0.37  78.262% * 76.8000% (0.90   3.79  62.83) =  92.801%  kept
          QG2   VAL   24 - HN    VAL   24   3.60 +/- 0.26  20.997% * 22.2002% (0.20   4.96  62.83) =   7.197%  kept
          QG1   VAL  107 - HN    VAL   24  19.00 +/- 2.14   0.115% *  0.4479% (0.99   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL   24  22.09 +/- 4.51   0.140% *  0.3619% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    VAL   24  12.65 +/- 0.56   0.357% *  0.1006% (0.22   0.02   0.02) =   0.001%
          HG13  ILE  119 - HN    VAL   24  23.05 +/- 4.06   0.130% *  0.0894% (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 = 0.833, support = 2.27, residual support = 5.17:
          QD2   LEU   80 - HN    VAL   24   5.55 +/- 4.92  46.430% * 51.1642% (0.76   2.55   7.02) =  67.463%  kept
          QD1   LEU   73 - HN    VAL   24   7.07 +/- 2.37  24.959% * 44.6098% (1.00   1.71   1.39) =  31.620%  kept
          QG1   VAL   83 - HN    VAL   24   8.75 +/- 4.64   9.960% *  2.6180% (0.15   0.65   0.12) =   0.740%  kept
          QD2   LEU   63 - HN    VAL   24  15.21 +/- 3.36  11.923% *  0.3180% (0.61   0.02   0.02) =   0.108%  kept
          QD1   LEU   63 - HN    VAL   24  15.70 +/- 3.57   3.341% *  0.5232% (1.00   0.02   0.02) =   0.050%
          QD2   LEU  115 - HN    VAL   24  18.14 +/- 2.88   0.944% *  0.4199% (0.80   0.02   0.02) =   0.011%
          QD1   LEU  104 - HN    VAL   24  19.05 +/- 2.45   0.526% *  0.2759% (0.53   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    VAL   24  12.01 +/- 1.68   1.916% *  0.0710% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.87 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.02, residual support = 21.6:
          HB2   HIS   22 - HN    THR   23   4.47 +/- 0.06  93.581% * 99.6115% (0.99   5.02  21.57) =  99.980%  kept
          HA    LEU   63 - HN    THR   23  17.35 +/- 2.78   5.373% *  0.3343% (0.84   0.02   0.02) =   0.019%
          HA2   GLY  101 - HN    THR   23  22.16 +/- 3.92   1.046% *  0.0542% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.63, residual support = 21.6:
          HB3   HIS   22 - HN    THR   23   4.40 +/- 0.16  96.869% * 99.7178% (0.76   5.63  21.57) =  99.995%  kept
          HD3   ARG+  54 - HN    THR   23  21.48 +/- 4.69   1.892% *  0.1905% (0.41   0.02   0.02) =   0.004%
          HB2   PHE   95 - HN    THR   23  19.39 +/- 1.53   1.239% *  0.0917% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.04, residual support = 3.6:
          HB3   CYS   21 - HN    THR   23   3.97 +/- 0.82 100.000% *100.0000% (1.00   2.04   3.60) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.731, support = 1.93, residual support = 12.7:
          QG2   THR   26 - HN    THR   23   4.63 +/- 0.12  70.517% * 88.0860% (0.73   1.98  13.04) =  97.281%  kept
          HB2   LYS+  74 - HN    THR   23   8.34 +/- 2.29  20.860% *  8.0663% (0.95   0.14   0.02) =   2.635%  kept
          HG2   LYS+  65 - HN    THR   23  15.95 +/- 2.89   2.448% *  0.7939% (0.65   0.02   0.02) =   0.030%
          HB3   LEU   40 - HN    THR   23  18.08 +/- 1.59   1.306% *  0.8911% (0.73   0.02   0.02) =   0.018%
          QB    ALA  120 - HN    THR   23  23.09 +/- 3.48   1.077% *  0.5973% (0.49   0.02   0.02) =   0.010%
          HG    LEU  115 - HN    THR   23  21.03 +/- 3.30   1.018% *  0.5973% (0.49   0.02   0.02) =   0.010%
          QD    LYS+  66 - HN    THR   23  17.94 +/- 2.48   2.187% *  0.2732% (0.22   0.02   0.02) =   0.009%
          HD2   LYS+ 121 - HN    THR   23  25.37 +/- 3.55   0.587% *  0.6948% (0.57   0.02   0.02) =   0.006%
    Distance limit 4.49 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.87, residual support = 18.6:
          QG2   THR   23 - HN    THR   23   3.28 +/- 0.50  91.374% * 97.7575% (0.41   4.87  18.60) =  99.942%  kept
          QG2   THR   77 - HN    THR   23  11.21 +/- 2.49   3.944% *  0.9420% (0.97   0.02   0.02) =   0.042%
          QB    ALA   88 - HN    THR   23  17.40 +/- 3.52   1.422% *  0.6314% (0.65   0.02   0.02) =   0.010%
          QB    ALA   34 - HN    THR   23  11.93 +/- 0.99   2.477% *  0.1506% (0.15   0.02   0.02) =   0.004%
          HG2   LYS+  38 - HN    THR   23  21.15 +/- 2.13   0.435% *  0.3013% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    THR   23  22.38 +/- 1.68   0.349% *  0.2173% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 1.51, residual support = 1.27:
          QD2   LEU   80 - HN    THR   23   6.65 +/- 4.94  27.374% * 43.9595% (0.20   2.58   1.78) =  45.664%  kept
          QD1   LEU   73 - HN    THR   23   5.75 +/- 2.37  27.533% * 30.4406% (0.53   0.67   0.23) =  31.805%  kept
          QD1   LEU   80 - HN    THR   23   7.26 +/- 5.59  27.504% * 20.7106% (0.45   0.54   1.78) =  21.616%  kept
          QD2   LEU   63 - HN    THR   23  13.75 +/- 2.84  10.217% *  1.7167% (1.00   0.02   0.02) =   0.666%  kept
          QD1   LEU   63 - HN    THR   23  14.32 +/- 3.02   4.039% *  0.9052% (0.53   0.02   0.02) =   0.139%  kept
          QG2   VAL   41 - HN    THR   23  11.63 +/- 1.97   1.746% *  1.1130% (0.65   0.02   0.02) =   0.074%
          QD2   LEU   98 - HN    THR   23  14.39 +/- 2.65   0.959% *  0.7714% (0.45   0.02   0.02) =   0.028%
          QD2   LEU  115 - HN    THR   23  17.35 +/- 2.77   0.628% *  0.3830% (0.22   0.02   0.02) =   0.009%
    Distance limit 3.94 A violated in 0 structures by 0.02 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   2.90 +/- 0.50  99.488% * 99.9260% (0.98  10.0   3.46  35.18) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  21.15 +/- 4.81   0.512% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    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 = 0.264, support = 6.66, residual support = 169.1:
          HG3   ARG+  54 - HN    ARG+  54   3.66 +/- 0.64  50.934% * 95.1243% (0.26   6.69 169.89) =  99.541%  kept
          QB    ALA   57 - HN    ARG+  54   6.23 +/- 1.74  19.246% *  0.7813% (0.72   0.02   0.02) =   0.309%  kept
          HD3   LYS+ 111 - HN    ARG+  54  14.51 +/- 3.90   2.464% *  0.8186% (0.76   0.02   0.02) =   0.041%
          QB    ALA   57 - HN    ASP-  62   6.48 +/- 1.05  13.494% *  0.1462% (0.14   0.02   0.02) =   0.041%
          HD2   LYS+  74 - HN    ARG+  54  14.17 +/- 3.42   3.009% *  0.4583% (0.42   0.02   0.02) =   0.028%
          HB3   LEU  123 - HN    ARG+  54  19.84 +/- 3.71   0.767% *  1.0021% (0.93   0.02   0.02) =   0.016%
          HD2   LYS+  74 - HN    ASP-  62  10.60 +/- 2.53   4.609% *  0.0858% (0.08   0.02   0.02) =   0.008%
          HB3   LEU  123 - HN    ASP-  62  14.16 +/- 1.65   1.205% *  0.1875% (0.17   0.02   0.02) =   0.005%
          QD    LYS+  33 - HN    ARG+  54  24.27 +/- 1.97   0.215% *  1.0021% (0.93   0.02   0.02) =   0.004%
          HG3   ARG+  54 - HN    ASP-  62  12.13 +/- 2.74   2.966% *  0.0532% (0.05   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HN    ASP-  62  17.62 +/- 1.89   0.626% *  0.1532% (0.14   0.02   0.02) =   0.002%
          QD    LYS+  33 - HN    ASP-  62  18.07 +/- 1.80   0.466% *  0.1875% (0.17   0.02   0.02) =   0.002%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.41, residual support = 29.9:
      O   HB2   CYS   21 - HN    CYS   21   2.55 +/- 0.33  95.799% * 99.8975% (0.90  10.0   3.41  29.87) =  99.999%  kept
          HB2   CYS   21 - HN    ILE  119  21.31 +/- 4.34   1.655% *  0.0316% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   PHE   45 - HN    CYS   21  14.29 +/- 2.89   0.807% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.76 +/- 2.95   0.316% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  13.44 +/- 1.36   0.823% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.15 +/- 1.70   0.600% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.39, residual support = 29.9:
      O   HB3   CYS   21 - HN    CYS   21   3.37 +/- 0.43  93.170% * 99.8170% (0.53  10.0   3.39  29.87) =  99.996%  kept
          HG2   MET   96 - HN    CYS   21  16.49 +/- 3.09   1.290% *  0.1151% (0.61   1.0   0.02   0.02) =   0.002%
          HB3   CYS   21 - HN    ILE  119  22.30 +/- 4.67   3.940% *  0.0315% (0.17   1.0   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ILE  119  14.88 +/- 2.57   1.599% *  0.0364% (0.19   1.0   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.518, support = 0.02, residual support = 0.218:
          HG    LEU  123 - HN    ILE  119   7.09 +/- 0.96  20.369% *  3.5886% (0.32   0.02   1.00) =  20.202%  kept
          HG    LEU  123 - HN    CYS   21  23.31 +/- 5.24   4.797% * 11.3569% (1.00   0.02   0.02) =  15.056%  kept
          HB    VAL   41 - HN    CYS   21  12.58 +/- 3.10   5.270% *  9.1141% (0.80   0.02   0.02) =  13.274%  kept
          QB    LYS+  66 - HN    ILE  119  10.56 +/- 2.88  10.303% *  2.1815% (0.19   0.02   0.02) =   6.211%  kept
          QB    LYS+  66 - HN    CYS   21  13.90 +/- 1.17   2.943% *  6.9036% (0.61   0.02   0.02) =   5.615%  kept
          QB    LYS+  33 - HN    CYS   21  11.09 +/- 1.42   6.278% *  2.5341% (0.22   0.02   0.02) =   4.397%  kept
          HG3   PRO   68 - HN    CYS   21  16.95 +/- 3.15   3.367% *  4.6793% (0.41   0.02   0.02) =   4.355%  kept
          HG12  ILE  103 - HN    CYS   21  17.99 +/- 2.70   1.414% * 10.5070% (0.92   0.02   0.02) =   4.107%  kept
          HB3   PRO   52 - HN    CYS   21  21.19 +/- 3.81   1.093% * 11.3569% (1.00   0.02   0.02) =   3.430%  kept
          HG3   PRO   68 - HN    ILE  119  14.10 +/- 4.42   8.028% *  1.4786% (0.13   0.02   0.02) =   3.281%  kept
          HB3   ASP- 105 - HN    ILE  119  10.77 +/- 3.97  10.551% *  1.1101% (0.10   0.02   0.02) =   3.237%  kept
          HB3   PRO   52 - HN    ILE  119  15.14 +/- 3.04   3.152% *  3.5886% (0.32   0.02   0.02) =   3.126%  kept
          HG12  ILE  103 - HN    ILE  119  16.47 +/- 3.66   2.713% *  3.3201% (0.29   0.02   0.02) =   2.489%  kept
          HG2   PRO   93 - HN    CYS   21  19.12 +/- 3.08   1.574% *  3.8825% (0.34   0.02   0.02) =   1.689%  kept
          HG2   ARG+  54 - HN    CYS   21  19.25 +/- 3.59   1.568% *  3.8825% (0.34   0.02   0.02) =   1.683%  kept
          HB    VAL   41 - HN    ILE  119  17.71 +/- 3.03   1.647% *  2.8799% (0.25   0.02   0.02) =   1.311%  kept
          HG2   PRO   93 - HN    ILE  119  13.55 +/- 2.12   3.671% *  1.2268% (0.11   0.02   0.02) =   1.245%  kept
          HB    ILE  103 - HN    CYS   21  19.91 +/- 2.46   1.001% *  4.2718% (0.38   0.02   0.02) =   1.181%  kept
          HB3   ASP- 105 - HN    CYS   21  19.95 +/- 1.53   0.916% *  3.5131% (0.31   0.02   0.02) =   0.890%  kept
          HG2   ARG+  54 - HN    ILE  119  15.45 +/- 1.75   2.191% *  1.2268% (0.11   0.02   0.02) =   0.743%  kept
          HB    ILE  103 - HN    ILE  119  17.44 +/- 3.46   1.897% *  1.3499% (0.12   0.02   0.02) =   0.708%  kept
          QB    LYS+ 102 - HN    CYS   21  19.34 +/- 2.78   1.223% *  1.9934% (0.18   0.02   0.02) =   0.673%  kept
          HB3   GLN   90 - HN    CYS   21  21.35 +/- 3.58   0.934% *  1.9934% (0.18   0.02   0.02) =   0.514%  kept
          QB    LYS+ 102 - HN    ILE  119  18.51 +/- 3.26   1.421% *  0.6299% (0.06   0.02   0.02) =   0.247%  kept
          QB    LYS+  33 - HN    ILE  119  22.88 +/- 3.93   0.912% *  0.8007% (0.07   0.02   0.02) =   0.202%  kept
          HB3   GLN   90 - HN    ILE  119  21.75 +/- 2.08   0.768% *  0.6299% (0.06   0.02   0.02) =   0.134%  kept
    Distance limit 3.67 A violated in 19 structures by 2.45 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.521, support = 6.33, residual support = 160.3:
          HG13  ILE  119 - HN    ILE  119   2.97 +/- 0.57  50.153% * 43.5969% (0.31   8.20 270.40) =  56.727%  kept
          QB    ALA   20 - HN    CYS   21   3.58 +/- 0.08  31.078% * 53.4411% (0.80   3.89  16.05) =  43.089%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.55 +/- 0.54   3.733% *  1.5363% (0.13   0.69   6.98) =   0.149%  kept
          HG13  ILE  119 - HN    CYS   21  18.72 +/- 3.89   1.078% *  0.3364% (0.98   0.02   0.02) =   0.009%
          QG1   VAL   24 - HN    CYS   21   8.16 +/- 0.69   2.772% *  0.1059% (0.31   0.02   0.02) =   0.008%
          HB3   LEU   31 - HN    CYS   21  12.13 +/- 1.00   0.856% *  0.3312% (0.97   0.02   0.02) =   0.007%
          QG2   VAL  107 - HN    ILE  119   7.51 +/- 2.16   6.878% *  0.0241% (0.07   0.02   0.02) =   0.004%
          HD3   LYS+ 112 - HN    ILE  119  10.01 +/- 1.66   1.678% *  0.0446% (0.13   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HN    CYS   21  19.52 +/- 4.04   0.331% *  0.1411% (0.41   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    ILE  119  17.43 +/- 3.51   0.453% *  0.0868% (0.25   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    CYS   21  16.85 +/- 1.51   0.315% *  0.0764% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    CYS   21  24.12 +/- 3.95   0.168% *  0.1411% (0.41   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.44 +/- 3.35   0.208% *  0.1046% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    ILE  119  20.75 +/- 3.59   0.301% *  0.0335% (0.10   0.02   0.02) =   0.000%
    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 = 0.528, support = 2.01, residual support = 8.07:
          QD2   LEU   73 - HN    CYS   21   4.95 +/- 2.18  32.340% * 70.7832% (0.57   2.20   9.52) =  84.041%  kept
          QD1   ILE   19 - HN    CYS   21   5.67 +/- 1.28  19.363% * 16.6220% (0.22   1.31   0.58) =  11.816%  kept
          QG2   VAL   18 - HN    CYS   21   6.72 +/- 1.09  13.699% *  6.9778% (0.65   0.19   0.02) =   3.509%  kept
          QG1   VAL   43 - HN    CYS   21  10.18 +/- 3.08   5.518% *  0.9865% (0.87   0.02   0.02) =   0.200%  kept
          QG1   VAL   41 - HN    CYS   21  10.84 +/- 2.23   3.102% *  1.1147% (0.98   0.02   0.02) =   0.127%  kept
          HG    LEU   31 - HN    CYS   21   9.79 +/- 0.82   3.283% *  0.8258% (0.73   0.02   0.02) =   0.100%
          QG2   THR   46 - HN    CYS   21  10.70 +/- 2.40   3.494% *  0.5983% (0.53   0.02   0.02) =   0.077%
          QD1   ILE   56 - HN    ILE  119   7.64 +/- 0.87   7.869% *  0.1109% (0.10   0.02   0.02) =   0.032%
          QG1   VAL   43 - HN    ILE  119  13.39 +/- 1.96   1.723% *  0.3117% (0.27   0.02   0.02) =   0.020%
          QD1   ILE   56 - HN    CYS   21  14.63 +/- 2.57   1.202% *  0.3510% (0.31   0.02   0.02) =   0.015%
          QG2   THR   46 - HN    ILE  119  11.92 +/- 1.97   2.175% *  0.1891% (0.17   0.02   0.02) =   0.015%
          QD2   LEU   73 - HN    ILE  119  14.52 +/- 3.22   2.020% *  0.2034% (0.18   0.02   0.02) =   0.015%
          QG1   VAL   41 - HN    ILE  119  15.69 +/- 2.61   1.054% *  0.3522% (0.31   0.02   0.02) =   0.014%
          QG2   VAL   18 - HN    ILE  119  13.78 +/- 2.07   1.252% *  0.2325% (0.20   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    ILE  119  21.08 +/- 3.53   0.532% *  0.2609% (0.23   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    ILE  119  17.55 +/- 3.38   1.374% *  0.0800% (0.07   0.02   0.02) =   0.004%
    Distance limit 4.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.48, support = 4.77, residual support = 9.03:
          QD1   LEU   73 - HN    CYS   21   4.18 +/- 2.04  28.589% * 80.2561% (0.53   4.91   9.52) =  89.399%  kept
          QD2   LEU  115 - HN    ILE  119   4.80 +/- 1.21  18.917% * 10.0570% (0.07   4.60   6.90) =   7.413%  kept
          QD1   LEU   63 - HN    ILE  119   7.05 +/- 2.79  10.346% *  6.8781% (0.17   1.33   0.45) =   2.773%  kept
          QD2   LEU   63 - HN    CYS   21  11.26 +/- 1.88   3.752% *  0.6200% (1.00   0.02   0.02) =   0.091%
          QD1   LEU   80 - HN    CYS   21   8.62 +/- 5.29   8.152% *  0.2786% (0.45   0.02   0.02) =   0.088%
          QD1   LEU   63 - HN    CYS   21  11.88 +/- 2.13   4.622% *  0.3269% (0.53   0.02   0.02) =   0.059%
          QD2   LEU   63 - HN    ILE  119   7.99 +/- 3.15   6.988% *  0.1959% (0.32   0.02   0.45) =   0.053%
          QG2   VAL   41 - HN    CYS   21  10.05 +/- 2.62   3.278% *  0.4020% (0.65   0.02   0.02) =   0.051%
          QD2   LEU   80 - HN    CYS   21   8.07 +/- 4.53   6.849% *  0.1230% (0.20   0.02   0.02) =   0.033%
          QD1   LEU   73 - HN    ILE  119  15.64 +/- 3.50   5.428% *  0.1033% (0.17   0.02   0.02) =   0.022%
          QD2   LEU   98 - HN    CYS   21  13.14 +/- 3.04   0.892% *  0.2786% (0.45   0.02   0.02) =   0.010%
          QD2   LEU  115 - HN    CYS   21  15.52 +/- 2.43   0.632% *  0.1384% (0.22   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    ILE  119  15.49 +/- 2.59   0.543% *  0.1270% (0.20   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    ILE  119  14.88 +/- 1.93   0.539% *  0.0880% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE  119  18.87 +/- 2.31   0.236% *  0.0880% (0.14   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ILE  119  18.64 +/- 1.87   0.239% *  0.0389% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.303, support = 5.54, residual support = 57.9:
          HN    THR  118 - HN    ILE  119   2.58 +/- 0.14  80.895% * 53.4054% (0.28   5.89  62.66) =  90.152%  kept
          HN    GLN  116 - HN    ILE  119   5.03 +/- 0.29  11.098% * 41.6374% (0.53   2.43  14.95) =   9.643%  kept
          HN    GLU- 114 - HN    ILE  119   8.47 +/- 0.39   2.335% *  3.0109% (0.95   0.10   0.02) =   0.147%  kept
          HN    PHE   60 - HN    ILE  119   8.52 +/- 0.75   2.550% *  0.7455% (0.14   0.17   0.02) =   0.040%
          HN    LEU   71 - HN    ILE  119  15.17 +/- 4.69   1.045% *  0.6172% (0.95   0.02   0.02) =   0.013%
          HN    LEU   71 - HN    CYS   21  12.45 +/- 0.94   0.766% *  0.1950% (0.30   0.02   0.02) =   0.003%
          HN    GLU- 114 - HN    CYS   21  22.75 +/- 3.01   0.152% *  0.1950% (0.30   0.02   0.02) =   0.001%
          HN    GLN  116 - HN    CYS   21  21.03 +/- 3.34   0.231% *  0.1085% (0.17   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    CYS   21  14.95 +/- 3.01   0.670% *  0.0279% (0.04   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.46 +/- 3.59   0.258% *  0.0573% (0.09   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 = 0.631, support = 2.52, residual support = 21.0:
          HN    HIS  122 - HN    ILE  119   5.22 +/- 0.13  21.822% * 64.1489% (1.00   2.25  17.49) =  50.484%  kept
          QE    PHE   59 - HN    ILE  119   3.48 +/- 0.60  64.750% * 19.1040% (0.22   3.00  24.64) =  44.611%  kept
          HN    PHE   59 - HN    ILE  119   7.51 +/- 0.88   8.628% * 15.6730% (0.57   0.97  24.64) =   4.877%  kept
          HH2   TRP   87 - HN    ILE  119  19.53 +/- 2.22   0.469% *  0.5708% (1.00   0.02   0.02) =   0.010%
          HH2   TRP   87 - HN    CYS   21  16.38 +/- 4.84   1.115% *  0.1804% (0.32   0.02   0.02) =   0.007%
          HN    HIS  122 - HN    CYS   21  21.78 +/- 4.28   0.911% *  0.1804% (0.32   0.02   0.02) =   0.006%
          HN    PHE   59 - HN    CYS   21  16.96 +/- 3.22   1.016% *  0.1023% (0.18   0.02   0.02) =   0.004%
          QE    PHE   59 - HN    CYS   21  15.73 +/- 2.88   1.291% *  0.0402% (0.07   0.02   0.02) =   0.002%
    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 = 3.34, residual support = 16.0:
          HN    ALA   20 - HN    CYS   21   4.18 +/- 0.13  98.766% * 99.8110% (0.95   3.34  16.05) =  99.998%  kept
          HN    ALA   20 - HN    ILE  119  20.86 +/- 3.87   1.234% *  0.1890% (0.30   0.02   0.02) =   0.002%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 5.82, residual support = 52.4:
        T HN    ALA  120 - HN    ILE  119   2.77 +/- 0.16  78.329% * 95.5396% (1.00 10.00   5.85  52.73) =  99.254%  kept
          HE21  GLN  116 - HN    ILE  119   6.14 +/- 1.43  14.080% *  3.9648% (0.80  1.00   1.04  14.95) =   0.740%  kept
        T HN    ALA  120 - HN    CYS   21  22.52 +/- 4.18   0.569% *  0.3019% (0.32 10.00   0.02   0.02) =   0.002%
          HN    ALA   57 - HN    ILE  119   9.94 +/- 1.46   2.256% *  0.0694% (0.73  1.00   0.02   0.02) =   0.002%
          HN    ALA  124 - HN    ILE  119  10.71 +/- 0.29   1.385% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  17.26 +/- 3.58   0.566% *  0.0219% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.13 +/- 4.54   0.390% *  0.0242% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.30 +/- 1.71   1.141% *  0.0053% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  21.21 +/- 3.71   0.296% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.38 +/- 5.15   0.535% *  0.0075% (0.08  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  23.08 +/- 3.32   0.204% *  0.0189% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  21.89 +/- 4.43   0.250% *  0.0060% (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 = 5.77, residual support = 62.7:
          HB    THR  118 - HN    ILE  119   3.21 +/- 0.24  89.006% * 98.2045% (0.98   5.77  62.66) =  99.986%  kept
          QB    SER   13 - HN    CYS   21  13.23 +/- 3.38   3.901% *  0.0796% (0.23   0.02   0.02) =   0.004%
          HA    ILE   89 - HN    ILE  119  18.88 +/- 1.97   0.491% *  0.3113% (0.90   0.02   0.02) =   0.002%
          HB    THR   39 - HN    ILE  119  20.09 +/- 3.73   0.536% *  0.2653% (0.76   0.02   0.02) =   0.002%
          HB    THR   39 - HN    CYS   21  13.46 +/- 2.44   1.645% *  0.0838% (0.24   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    CYS   21  15.20 +/- 2.87   1.394% *  0.0984% (0.28   0.02   0.02) =   0.002%
          HB3   SER   37 - HN    ILE  119  23.95 +/- 4.03   0.334% *  0.3113% (0.90   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ILE  119  24.12 +/- 3.12   0.285% *  0.2521% (0.73   0.02   0.02) =   0.001%
          HB    THR  118 - HN    CYS   21  20.03 +/- 3.38   0.627% *  0.1075% (0.31   0.02   0.02) =   0.001%
          HA    ILE   89 - HN    CYS   21  18.82 +/- 3.34   0.554% *  0.0984% (0.28   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    CYS   21  16.01 +/- 4.80   1.035% *  0.0451% (0.13   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ILE  119  26.00 +/- 2.25   0.192% *  0.1427% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 8.64, residual support = 270.4:
          HG12  ILE  119 - HN    ILE  119   2.23 +/- 0.36  85.064% * 97.9368% (0.90   8.65 270.40) =  99.985%  kept
          HB3   PHE   72 - HN    ILE  119  14.31 +/- 3.81   1.215% *  0.2438% (0.97   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    CYS   21  11.18 +/- 2.44   2.594% *  0.0737% (0.29   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    ILE  119  12.50 +/- 2.31   0.825% *  0.2266% (0.90   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    CYS   21   9.50 +/- 1.26   1.563% *  0.0770% (0.30   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    ILE  119  10.39 +/- 3.82   2.232% *  0.0342% (0.14   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   21  11.02 +/- 2.33   0.975% *  0.0716% (0.28   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    CYS   21  11.94 +/- 2.02   0.799% *  0.0639% (0.25   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    CYS   21  10.02 +/- 1.03   1.156% *  0.0420% (0.17   0.02   0.02) =   0.001%
          QB    MET   11 - HN    CYS   21  15.54 +/- 4.19   1.777% *  0.0272% (0.11   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ILE  119  19.39 +/- 2.30   0.181% *  0.2504% (0.99   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ILE  119  17.92 +/- 2.66   0.329% *  0.1039% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  20.73 +/- 2.95   0.146% *  0.2023% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  19.14 +/- 3.65   0.358% *  0.0716% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  22.75 +/- 3.67   0.107% *  0.2332% (0.92   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  18.24 +/- 3.55   0.217% *  0.0791% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  26.73 +/- 4.04   0.082% *  0.1329% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  19.18 +/- 3.13   0.181% *  0.0328% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  27.30 +/- 3.89   0.060% *  0.0862% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  20.33 +/- 1.56   0.140% *  0.0108% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.58, residual support = 270.4:
      O   HB    ILE  119 - HN    ILE  119   2.46 +/- 0.21  77.867% * 99.0354% (0.92  10.0   7.58 270.40) =  99.990%  kept
          HG3   GLN   30 - HN    CYS   21   6.58 +/- 1.38   6.492% *  0.0336% (0.31   1.0   0.02   0.02) =   0.003%
          HB2   GLN   30 - HN    CYS   21   7.09 +/- 1.12   4.144% *  0.0313% (0.29   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    CYS   21  16.77 +/- 3.81   2.531% *  0.0246% (0.23   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    ILE  119  13.70 +/- 2.83   0.698% *  0.0779% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    ILE  119  15.42 +/- 3.80   0.581% *  0.0779% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    ILE  119  12.12 +/- 1.12   0.723% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  12.80 +/- 1.70   0.830% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  15.49 +/- 1.72   0.395% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  22.62 +/- 4.12   0.237% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.49 +/- 3.81   0.228% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.86 +/- 4.14   0.639% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  22.25 +/- 3.52   0.129% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.93 +/- 0.69   0.956% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.45 +/- 1.37   0.743% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  17.22 +/- 3.49   0.671% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.54 +/- 0.62   1.056% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  20.07 +/- 3.37   0.186% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  18.85 +/- 3.21   0.285% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  21.36 +/- 3.20   0.151% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  21.19 +/- 2.93   0.153% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  22.54 +/- 1.93   0.123% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.13 +/- 2.98   0.116% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  28.22 +/- 3.22   0.065% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.94, support = 7.9, residual support = 254.0:
          HG13  ILE  119 - HN    ILE  119   2.97 +/- 0.57  47.813% * 85.9153% (0.99   8.20 270.40) =  93.635%  kept
          QB    ALA   20 - HN    CYS   21   3.58 +/- 0.08  29.203% *  7.8772% (0.19   3.89  16.05) =   5.243%  kept
          QG1   VAL  107 - HN    ILE  119   6.57 +/- 2.50  11.800% *  3.5858% (0.20   1.71   0.02) =   0.964%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.55 +/- 0.54   3.497% *  1.8160% (0.25   0.69   6.98) =   0.145%  kept
          HD3   LYS+ 112 - HN    ILE  119  10.01 +/- 1.66   1.594% *  0.1282% (0.61   0.02   0.02) =   0.005%
          QG1   VAL   24 - HN    CYS   21   8.16 +/- 0.69   2.588% *  0.0325% (0.15   0.02   0.02) =   0.002%
          HG13  ILE  119 - HN    CYS   21  18.72 +/- 3.89   1.035% *  0.0662% (0.31   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    ILE  119  17.43 +/- 3.51   0.426% *  0.1282% (0.61   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.13 +/- 1.00   0.804% *  0.0666% (0.32   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    ILE  119  21.44 +/- 3.35   0.196% *  0.2109% (1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HN    ILE  119  20.75 +/- 3.59   0.285% *  0.1029% (0.49   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    CYS   21  19.52 +/- 4.04   0.316% *  0.0405% (0.19   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  17.19 +/- 1.70   0.284% *  0.0132% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.12 +/- 3.95   0.160% *  0.0167% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.576, support = 0.02, residual support = 1.33:
          QD1   LEU   67 - HN    ILE  119  11.61 +/- 3.18   7.220% * 15.1858% (0.92   0.02   0.02) =  18.745%  kept
          HG3   LYS+  74 - HN    CYS   21   6.98 +/- 3.35  24.814% *  3.7747% (0.23   0.02   8.01) =  16.013%  kept
          QD2   LEU   40 - HN    ILE  119  12.18 +/- 3.08   5.431% * 15.5616% (0.95   0.02   0.02) =  14.448%  kept
          QG2   ILE  103 - HN    ILE  119  12.76 +/- 2.86   4.827% * 13.7407% (0.84   0.02   0.02) =  11.339%  kept
          HB    VAL   75 - HN    CYS   21   8.98 +/- 2.98  12.545% *  3.9726% (0.24   0.02   0.39) =   8.520%  kept
          QD1   LEU   67 - HN    CYS   21   9.97 +/- 2.18  10.059% *  4.7985% (0.29   0.02   0.02) =   8.252%  kept
          QD2   LEU   71 - HN    ILE  119  14.27 +/- 4.98   8.821% *  4.1020% (0.25   0.02   0.02) =   6.186%  kept
          HB    VAL   75 - HN    ILE  119  15.64 +/- 2.11   2.008% * 12.5720% (0.76   0.02   0.02) =   4.317%  kept
          HG3   LYS+  74 - HN    ILE  119  17.69 +/- 3.07   1.653% * 11.9456% (0.73   0.02   0.02) =   3.377%  kept
          QD2   LEU   40 - HN    CYS   21  13.28 +/- 1.58   3.630% *  4.9173% (0.30   0.02   0.02) =   3.051%  kept
          QD2   LEU   71 - HN    CYS   21   9.54 +/- 1.64  11.477% *  1.2962% (0.08   0.02   0.02) =   2.543%  kept
          QD1   ILE  103 - HN    ILE  119  14.84 +/- 2.65   2.893% *  2.8810% (0.18   0.02   0.02) =   1.425%  kept
          QG2   ILE  103 - HN    CYS   21  16.43 +/- 1.70   1.817% *  4.3419% (0.26   0.02   0.02) =   1.348%  kept
          QD1   ILE  103 - HN    CYS   21  15.34 +/- 2.93   2.804% *  0.9104% (0.06   0.02   0.02) =   0.436%  kept
    Distance limit 3.62 A violated in 15 structures by 1.81 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.99, residual support = 62.7:
          QG2   THR  118 - HN    ILE  119   3.24 +/- 0.44  98.890% * 99.9096% (0.57   6.99  62.66) =  99.999%  kept
          QG2   THR  118 - HN    CYS   21  16.05 +/- 2.97   1.110% *  0.0904% (0.18   0.02   0.02) =   0.001%
    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 = 0.769, support = 3.84, residual support = 45.2:
          QB    ALA  120 - HN    ILE  119   4.30 +/- 0.13  29.307% * 70.6819% (0.80   4.40  52.73) =  83.354%  kept
          HG    LEU   73 - HN    CYS   21   5.54 +/- 2.99  26.444% *  5.5324% (0.15   1.79   9.52) =   5.887%  kept
          HG    LEU  115 - HN    ILE  119   6.59 +/- 1.14  12.300% * 11.5755% (0.80   0.72   6.90) =   5.729%  kept
          HB3   LEU  115 - HN    ILE  119   5.91 +/- 0.71  12.436% *  9.7921% (0.95   0.52   6.90) =   4.900%  kept
          HG    LEU   67 - HN    ILE  119  13.93 +/- 3.97   2.117% *  0.3981% (0.99   0.02   0.02) =   0.034%
          HG    LEU   40 - HN    ILE  119  14.29 +/- 3.46   1.484% *  0.3799% (0.95   0.02   0.02) =   0.023%
          QG    LYS+  66 - HN    ILE  119  11.37 +/- 3.17   2.996% *  0.1240% (0.31   0.02   0.02) =   0.015%
          HG    LEU   73 - HN    ILE  119  18.22 +/- 3.89   1.499% *  0.1955% (0.49   0.02   0.02) =   0.012%
          HB3   LEU   40 - HN    ILE  119  15.65 +/- 3.65   1.141% *  0.2274% (0.57   0.02   0.02) =   0.010%
          HG    LEU   67 - HN    CYS   21  13.25 +/- 2.20   1.646% *  0.1258% (0.31   0.02   0.02) =   0.008%
          QB    ALA  120 - HN    CYS   21  20.65 +/- 3.69   1.180% *  0.1016% (0.25   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE  119  13.96 +/- 4.14   1.566% *  0.0703% (0.18   0.02   0.02) =   0.004%
          HG    LEU   40 - HN    CYS   21  14.62 +/- 1.56   0.891% *  0.1200% (0.30   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    ILE  119  21.33 +/- 3.52   0.287% *  0.2436% (0.61   0.02   0.02) =   0.003%
          HB3   LEU  115 - HN    CYS   21  18.62 +/- 2.80   0.537% *  0.1200% (0.30   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    CYS   21  15.06 +/- 2.06   0.842% *  0.0718% (0.18   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    CYS   21  18.98 +/- 2.98   0.569% *  0.1016% (0.25   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    CYS   21  14.41 +/- 1.35   0.931% *  0.0392% (0.10   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  12.75 +/- 2.43   1.593% *  0.0222% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    CYS   21  22.30 +/- 3.54   0.234% *  0.0770% (0.19   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.427, residual support = 0.386:
          QG2   VAL   75 - HN    CYS   21   7.05 +/- 2.99  52.645% * 93.2933% (1.00   0.44   0.39) =  97.966%  kept
          QG2   VAL   42 - HN    CYS   21  11.42 +/- 1.58  14.606% *  4.0664% (0.95   0.02   0.02) =   1.185%  kept
          QG2   VAL   42 - HN    ILE  119  10.29 +/- 2.98  25.370% *  1.2849% (0.30   0.02   0.02) =   0.650%  kept
          QG2   VAL   75 - HN    ILE  119  13.91 +/- 1.59   7.378% *  1.3553% (0.32   0.02   0.02) =   0.199%  kept
    Distance limit 4.53 A violated in 12 structures by 1.83 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.6, residual support = 14.8:
      O   QB    ALA   20 - HN    ALA   20   2.15 +/- 0.12  98.780% * 99.6430% (0.84  10.0   3.60  14.84) =  99.999%  kept
          QG2   VAL  107 - HN    ALA   20  17.97 +/- 2.02   0.209% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.98 +/- 1.38   0.448% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.83 +/- 3.96   0.320% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.26 +/- 4.02   0.107% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  20.15 +/- 2.25   0.137% *  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 = 2.03, residual support = 20.1:
          QG2   ILE   19 - HN    ALA   20   2.94 +/- 0.76  99.118% * 99.5559% (0.99   2.03  20.06) =  99.996%  kept
          QD1   LEU   98 - HN    ALA   20  15.89 +/- 2.30   0.882% *  0.4441% (0.45   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.963, support = 5.01, residual support = 125.3:
      O   HB    ILE   19 - HN    ILE   19   2.94 +/- 0.41  76.217% * 94.6502% (0.97  10.0   5.04 126.21) =  99.241%  kept
          HB2   GLN   17 - HN    ILE   19   6.24 +/- 0.68  11.200% *  4.8543% (0.73   1.0   1.36   0.02) =   0.748%  kept
          QB    GLU-  15 - HN    ILE   19   8.36 +/- 1.09   5.169% *  0.0712% (0.73   1.0   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    ILE   19  13.07 +/- 2.48   1.720% *  0.0905% (0.92   1.0   0.02   0.02) =   0.002%
          HB3   PRO   68 - HN    ILE   19  12.85 +/- 3.05   3.063% *  0.0335% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    ILE   19  14.92 +/- 1.14   0.780% *  0.0880% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    ILE   19  20.01 +/- 2.68   0.388% *  0.0972% (0.99   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    ILE   19  17.82 +/- 2.45   0.622% *  0.0273% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  23.80 +/- 3.06   0.266% *  0.0634% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.17 +/- 2.60   0.575% *  0.0245% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 4.97, residual support = 108.9:
          HG12  ILE   19 - HN    ILE   19   2.72 +/- 0.75  55.011% * 59.0037% (0.73   5.35 126.21) =  85.608%  kept
          HG    LEU   73 - HN    ILE   19   6.96 +/- 3.68  13.876% * 34.7198% (0.80   2.86   5.45) =  12.706%  kept
          HB3   LYS+  74 - HN    ILE   19   6.72 +/- 3.80  13.972% *  4.2793% (0.18   1.61   8.38) =   1.577%  kept
          QB    ALA   61 - HN    ILE   19   9.06 +/- 2.42   8.718% *  0.2929% (0.97   0.02   0.02) =   0.067%
          HB3   LEU   67 - HN    ILE   19   9.42 +/- 3.56   1.892% *  0.3035% (1.00   0.02   0.02) =   0.015%
          QG    LYS+  66 - HN    ILE   19  11.31 +/- 1.90   1.382% *  0.2871% (0.95   0.02   0.02) =   0.010%
          HG    LEU   80 - HN    ILE   19  14.11 +/- 5.64   0.918% *  0.2535% (0.84   0.02   0.02) =   0.006%
          HG    LEU   67 - HN    ILE   19  10.07 +/- 3.20   1.583% *  0.0676% (0.22   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE   19  11.58 +/- 2.31   0.952% *  0.0937% (0.31   0.02   0.02) =   0.002%
          HB2   LEU   80 - HN    ILE   19  15.06 +/- 5.38   0.685% *  0.0937% (0.31   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ILE   19  20.73 +/- 2.60   0.193% *  0.2430% (0.80   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    ILE   19  17.65 +/- 2.54   0.391% *  0.0937% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ILE   19  21.15 +/- 3.99   0.154% *  0.2085% (0.69   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    ILE   19  20.87 +/- 2.90   0.273% *  0.0601% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 4.94, residual support = 123.4:
          HG13  ILE   19 - HN    ILE   19   2.72 +/- 0.71  70.876% * 81.5882% (0.97   5.04 126.21) =  97.679%  kept
          HG2   LYS+  74 - HN    ILE   19   8.34 +/- 4.11   9.143% * 10.6464% (0.99   0.64   8.38) =   1.644%  kept
          HG    LEU   71 - HN    ILE   19   8.80 +/- 2.69   5.821% *  6.4741% (0.98   0.39   0.40) =   0.637%  kept
          QG2   THR   39 - HN    ILE   19   8.31 +/- 3.32   7.645% *  0.2303% (0.69   0.02   0.02) =   0.030%
          HG3   LYS+  99 - HN    ILE   19  17.62 +/- 3.03   0.453% *  0.3345% (1.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    ILE   19   8.89 +/- 1.65   3.193% *  0.0454% (0.14   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    ILE   19  15.06 +/- 2.31   1.283% *  0.0836% (0.25   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ILE   19  16.64 +/- 3.61   0.689% *  0.1378% (0.41   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    ILE   19  19.40 +/- 2.53   0.337% *  0.2303% (0.69   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    ILE   19  19.51 +/- 3.79   0.351% *  0.1258% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    ILE   19  24.51 +/- 3.37   0.209% *  0.1035% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.347, support = 4.5, residual support = 20.6:
          QG1   VAL   18 - HN    ILE   19   2.95 +/- 0.50  78.090% * 74.5381% (0.34   4.61  21.16) =  97.244%  kept
          QD1   LEU   71 - HN    ILE   19   8.16 +/- 2.36   9.222% * 10.0375% (0.69   0.31   0.40) =   1.546%  kept
          QG1   VAL   70 - HN    ILE   19   8.66 +/- 1.97   5.035% * 13.5666% (0.45   0.64   0.02) =   1.141%  kept
          QD1   LEU  123 - HN    ILE   19  15.91 +/- 3.66   4.486% *  0.6509% (0.69   0.02   0.02) =   0.049%
          QD2   LEU  123 - HN    ILE   19  17.14 +/- 3.94   2.736% *  0.2925% (0.31   0.02   0.02) =   0.013%
          HB3   LEU  104 - HN    ILE   19  18.67 +/- 2.30   0.431% *  0.9145% (0.97   0.02   0.02) =   0.007%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.751, support = 4.69, residual support = 69.7:
          QG2   VAL   18 - HN    ILE   19   3.84 +/- 0.64  28.025% * 56.7035% (0.97   4.54  21.16) =  49.491%  kept
          QD1   ILE   19 - HN    ILE   19   3.21 +/- 0.78  40.336% * 37.2180% (0.57   5.08 126.21) =  46.754%  kept
          QD2   LEU   73 - HN    ILE   19   5.05 +/- 3.01  23.010% *  5.1625% (0.22   1.79   5.45) =   3.700%  kept
          QG1   VAL   41 - HN    ILE   19   9.48 +/- 3.06   3.401% *  0.2322% (0.90   0.02   0.02) =   0.025%
          QG1   VAL   43 - HN    ILE   19  10.74 +/- 3.63   1.926% *  0.2567% (0.99   0.02   0.02) =   0.015%
          QG2   THR   46 - HN    ILE   19  11.68 +/- 2.88   1.469% *  0.2322% (0.90   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    ILE   19  10.70 +/- 1.40   1.187% *  0.0883% (0.34   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    ILE   19  15.07 +/- 2.69   0.646% *  0.1065% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.56 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 = 0.711, support = 4.36, residual support = 17.9:
          HG12  ILE   19 - HN    ALA   20   5.20 +/- 0.41  29.749% * 79.3500% (0.73   4.85  20.06) =  87.954%  kept
          HG    LEU   73 - HN    ALA   20   7.57 +/- 2.93  15.663% * 13.8033% (0.80   0.77   0.02) =   8.055%  kept
          HB3   LYS+  74 - HN    ALA   20   6.28 +/- 3.22  24.946% *  3.8817% (0.18   0.98   6.57) =   3.608%  kept
          QB    ALA   61 - HN    ALA   20  10.00 +/- 2.70  11.835% *  0.4349% (0.97   0.02   0.02) =   0.192%  kept
          HB3   LEU   67 - HN    ALA   20  12.07 +/- 2.89   4.434% *  0.4506% (1.00   0.02   0.02) =   0.074%
          HG    LEU   80 - HN    ALA   20  13.43 +/- 5.22   2.799% *  0.3764% (0.84   0.02   0.02) =   0.039%
          QG    LYS+  66 - HN    ALA   20  13.19 +/- 1.59   2.010% *  0.4262% (0.95   0.02   0.02) =   0.032%
          HG    LEU   67 - HN    ALA   20  12.61 +/- 2.67   3.229% *  0.1003% (0.22   0.02   0.02) =   0.012%
          HB2   LEU   80 - HN    ALA   20  14.52 +/- 4.97   1.922% *  0.1391% (0.31   0.02   0.02) =   0.010%
          HG    LEU   40 - HN    ALA   20  14.94 +/- 1.63   1.377% *  0.1391% (0.31   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    ALA   20  21.82 +/- 3.03   0.472% *  0.3608% (0.80   0.02   0.02) =   0.006%
          HG2   LYS+ 102 - HN    ALA   20  23.68 +/- 3.11   0.380% *  0.3095% (0.69   0.02   0.02) =   0.004%
          HB3   LEU  115 - HN    ALA   20  19.51 +/- 3.38   0.769% *  0.1391% (0.31   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HN    ALA   20  23.55 +/- 3.86   0.414% *  0.0892% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 6.75:
          HG    LEU   73 - HN    CYS   21   5.54 +/- 2.99  23.353% * 37.3844% (0.80   1.79   9.52) =  51.862%  kept
          HG12  ILE   19 - HN    CYS   21   6.46 +/- 0.87  10.899% * 41.4473% (0.73   2.19   0.58) =  26.834%  kept
          HB3   LYS+  74 - HN    CYS   21   5.22 +/- 3.10  23.652% * 14.0234% (0.18   3.07   8.01) =  19.703%  kept
          HB3   LEU  115 - HN    ILE  119   5.91 +/- 0.71  10.177% *  1.3104% (0.10   0.52   6.90) =   0.792%  kept
          HD3   LYS+ 121 - HN    ILE  119   7.15 +/- 0.90   6.249% *  1.1234% (0.06   0.69   6.98) =   0.417%  kept
          QB    ALA   61 - HN    CYS   21  10.28 +/- 2.17   3.748% *  0.5031% (0.97   0.02   0.02) =   0.112%  kept
          HG    LEU   80 - HN    CYS   21  10.28 +/- 5.52   3.657% *  0.4354% (0.84   0.02   0.02) =   0.095%
          HB3   LEU   67 - HN    CYS   21  12.75 +/- 2.43   1.169% *  0.5213% (1.00   0.02   0.02) =   0.036%
          QG    LYS+  66 - HN    ILE  119  11.37 +/- 3.17   2.369% *  0.1558% (0.30   0.02   0.02) =   0.022%
          QG    LYS+  66 - HN    CYS   21  14.41 +/- 1.35   0.650% *  0.4931% (0.95   0.02   0.02) =   0.019%
          HB2   LEU   80 - HN    CYS   21  11.38 +/- 5.21   1.897% *  0.1609% (0.31   0.02   0.02) =   0.018%
          QB    ALA   61 - HN    ILE  119  10.26 +/- 0.76   1.666% *  0.1590% (0.30   0.02   0.02) =   0.016%
          QB    ALA  110 - HN    ILE  119  11.47 +/- 1.49   1.417% *  0.1319% (0.25   0.02   0.02) =   0.011%
          HB3   LEU   67 - HN    ILE  119  13.96 +/- 4.14   1.037% *  0.1647% (0.32   0.02   0.02) =   0.010%
          HG    LEU   73 - HN    ILE  119  18.22 +/- 3.89   1.227% *  0.1319% (0.25   0.02   0.02) =   0.010%
          HG    LEU   67 - HN    CYS   21  13.25 +/- 2.20   0.985% *  0.1161% (0.22   0.02   0.02) =   0.007%
          HG    LEU   40 - HN    CYS   21  14.62 +/- 1.56   0.684% *  0.1609% (0.31   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    CYS   21  20.67 +/- 2.59   0.261% *  0.4174% (0.80   0.02   0.02) =   0.006%
          HB3   LEU  115 - HN    CYS   21  18.62 +/- 2.80   0.415% *  0.1609% (0.31   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    ILE  119  19.99 +/- 3.36   0.517% *  0.1196% (0.23   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    CYS   21  22.30 +/- 3.54   0.167% *  0.3581% (0.69   0.02   0.02) =   0.004%
          HG    LEU   40 - HN    ILE  119  14.29 +/- 3.46   1.174% *  0.0508% (0.10   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    ILE  119  13.93 +/- 3.97   1.134% *  0.0367% (0.07   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE  119  21.91 +/- 2.77   0.220% *  0.1376% (0.26   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    CYS   21  23.32 +/- 3.75   0.293% *  0.1032% (0.20   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    ILE  119  21.33 +/- 3.52   0.231% *  0.1131% (0.22   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    ILE  119  17.94 +/- 3.24   0.539% *  0.0288% (0.06   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  119  21.62 +/- 2.12   0.214% *  0.0508% (0.10   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.16, residual support = 85.3:
      O   QG    GLN   17 - HE21  GLN   17   2.44 +/- 0.42  97.339% * 99.5957% (0.48  10.0   3.16  85.28) =  99.998%  kept
          HB    VAL   70 - HE21  GLN   17  12.68 +/- 3.24   1.283% *  0.0879% (0.43   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HE21  GLN   17  19.34 +/- 3.52   0.315% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  20.11 +/- 2.88   0.264% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  19.25 +/- 3.51   0.482% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  21.17 +/- 3.62   0.233% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  30.17 +/- 4.08   0.084% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.54, residual support = 50.2:
        T HN    VAL   18 - HN    GLN   17   4.45 +/- 0.07  85.691% * 99.9055% (0.73 10.00   5.54  50.22) =  99.984%  kept
          HN    SER   13 - HN    GLN   17   9.49 +/- 1.47  14.309% *  0.0945% (0.69  1.00   0.02   0.02) =   0.016%
    Distance limit 4.36 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.54, residual support = 50.2:
        T HN    GLN   17 - HN    VAL   18   4.45 +/- 0.07  90.248% * 99.7850% (0.89 10.00   5.54  50.22) =  99.988%  kept
          HD21  ASN   69 - HN    VAL   18  12.04 +/- 3.01   8.983% *  0.1079% (0.96  1.00   0.02   0.02) =   0.011%
          HN    TRP   87 - HN    VAL   18  22.95 +/- 4.12   0.769% *  0.1071% (0.96  1.00   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.38, residual support = 8.38:
        T HN    LYS+  74 - HN    ILE   19   5.85 +/- 3.87  71.982% * 99.4791% (0.41 10.00   3.38   8.38) =  99.966%  kept
          HN    THR   46 - HN    ILE   19  14.67 +/- 3.57   5.507% *  0.2021% (0.84  1.00   0.02   0.02) =   0.016%
          HN    MET   11 - HN    ILE   19  16.45 +/- 3.43  14.235% *  0.0373% (0.15  1.00   0.02   0.02) =   0.007%
          HN    MET   92 - HN    ILE   19  21.75 +/- 3.51   2.198% *  0.2335% (0.97  1.00   0.02   0.02) =   0.007%
          HN    ASP- 113 - HN    ILE   19  22.23 +/- 3.10   6.078% *  0.0479% (0.20  1.00   0.02   0.02) =   0.004%
    Distance limit 4.55 A violated in 6 structures by 1.54 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.849, support = 2.82, residual support = 2.83:
          HN    THR   26 - HN    VAL   24   4.25 +/- 0.19  65.959% * 94.0227% (0.87   2.88   2.72) =  97.270%  kept
          HN    LEU   80 - HN    VAL   24   8.67 +/- 5.33  31.024% *  5.5925% (0.20   0.75   7.02) =   2.721%  kept
          HN    CYS   53 - HN    VAL   24  21.03 +/- 4.91   1.275% *  0.2828% (0.38   0.02   0.02) =   0.006%
          HN    ALA   34 - HN    VAL   24  14.50 +/- 0.56   1.743% *  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 = 0.973, support = 3.67, residual support = 17.1:
          HN    THR   23 - HN    VAL   24   3.90 +/- 0.36  77.175% * 88.5956% (0.98   3.71  17.18) =  98.727%  kept
          HD2   HIS   22 - HN    VAL   24   8.88 +/- 0.88   8.451% *  5.7176% (0.22   1.05   0.02) =   0.698%  kept
          HE3   TRP   27 - HN    VAL   24   8.27 +/- 0.43   8.885% *  4.2950% (0.76   0.23  26.96) =   0.551%  kept
          QE    PHE   95 - HN    VAL   24  17.24 +/- 3.05   1.244% *  0.4833% (0.99   0.02   0.02) =   0.009%
          HN    LEU   67 - HN    VAL   24  18.91 +/- 2.71   1.361% *  0.3349% (0.69   0.02   0.02) =   0.007%
          HD1   TRP   49 - HN    VAL   24  19.14 +/- 5.58   2.249% *  0.1663% (0.34   0.02   0.02) =   0.005%
          QD    PHE   55 - HN    VAL   24  21.89 +/- 4.48   0.636% *  0.4073% (0.84   0.02   0.02) =   0.004%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 5.71:
          HE1   TRP   87 - HE1   TRP   27   7.66 +/- 5.63 100.000% *100.0000% (0.53   0.75   5.71) = 100.000%  kept
    Distance limit 4.13 A violated in 7 structures by 3.80 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 4.81, residual support = 21.3:
        T HN    ALA   34 - HN    ASN   35   2.73 +/- 0.06  86.006% * 97.1434% (0.98 10.00   4.82  21.35) =  99.705%  kept
          HN    GLN   32 - HN    ASN   35   5.19 +/- 0.31  12.994% *  1.8501% (0.53  1.00   0.71   3.38) =   0.287%  kept
        T HN    LEU   80 - HN    ASN   35  19.17 +/- 4.18   0.701% *  0.9149% (0.92 10.00   0.02   0.02) =   0.008%
          HN    CYS   53 - HN    ASN   35  28.42 +/- 2.36   0.086% *  0.0720% (0.73  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.58 +/- 3.35   0.213% *  0.0196% (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 = 4.33, residual support = 18.6:
        T HN    SER   37 - HN    GLU-  36   2.55 +/- 0.11  99.249% * 99.7690% (0.98 10.00   4.33  18.60) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  15.89 +/- 1.86   0.473% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.74 +/- 3.86   0.148% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  23.86 +/- 1.92   0.129% *  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 = 5.33, residual support = 23.9:
        T HN    LYS+  38 - HN    THR   39   2.65 +/- 0.14  97.419% * 99.8693% (1.00 10.00   5.33  23.91) =  99.999%  kept
          HN    LEU   31 - HN    THR   39   9.64 +/- 0.63   2.086% *  0.0278% (0.28  1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HN    THR   39  18.86 +/- 2.23   0.368% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  26.83 +/- 3.33   0.127% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.763, support = 3.99, residual support = 15.2:
          HN    MET   96 - HN    VAL   43   3.86 +/- 1.26  84.492% * 98.7972% (0.76   4.00  15.25) =  99.777%  kept
          HN    PHE   72 - HN    VAL   43   8.16 +/- 1.20  15.508% *  1.2028% (0.22   0.17   0.02) =   0.223%  kept
    Distance limit 3.87 A violated in 2 structures by 0.39 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.376, support = 3.28, residual support = 2.89:
          HN    LEU   73 - HN    ASP-  44   6.05 +/- 1.57  47.175% * 69.7271% (0.38   3.95   3.86) =  70.601%  kept
          HN    VAL   42 - HN    ASP-  44   5.95 +/- 0.60  46.491% * 29.3346% (0.38   1.66   0.57) =  29.271%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.41 +/- 1.40   6.334% *  0.9384% (1.00   0.02   0.02) =   0.128%  kept
    Distance limit 4.33 A violated in 1 structures by 0.74 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.82, residual support = 35.6:
          HN    VAL   42 - HN    VAL   43   4.30 +/- 0.21  68.260% * 72.4031% (0.38   6.27  39.75) =  88.756%  kept
          HN    LEU   73 - HN    VAL   43   7.32 +/- 1.91  23.005% * 26.9826% (0.38   2.34   2.76) =  11.148%  kept
          HN    LYS+ 106 - HN    VAL   43   9.71 +/- 1.47   8.734% *  0.6143% (1.00   0.02   0.02) =   0.096%
    Distance limit 4.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 0.02:
          HN    ALA   84 - HN    ASP-  44  10.86 +/- 1.63  29.463% * 23.7147% (1.00   0.02   0.02) =  36.052%  kept
          HN    LEU   63 - HN    ASP-  44   9.78 +/- 2.22  41.016% * 15.3753% (0.65   0.02   0.02) =  32.539%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.78 +/- 2.13  12.199% * 23.7147% (1.00   0.02   0.02) =  14.927%  kept
          HN    ILE   56 - HN    ASP-  44  14.32 +/- 1.23  11.811% * 18.1638% (0.76   0.02   0.02) =  11.069%  kept
          HE21  GLN   32 - HN    ASP-  44  19.17 +/- 2.48   5.512% * 19.0315% (0.80   0.02   0.02) =   5.412%  kept
    Distance limit 4.32 A violated in 20 structures by 4.01 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.564, support = 0.52, residual support = 1.2:
          QD    PHE   60 - HN    ASP-  44   7.46 +/- 2.22  38.799% * 45.7161% (0.41   0.68   1.80) =  66.253%  kept
          QE    PHE   59 - HN    ASP-  44   9.66 +/- 2.25  22.590% * 31.5299% (0.92   0.21   0.02) =  26.604%  kept
          HN    PHE   59 - HN    ASP-  44  12.73 +/- 1.58   6.791% * 19.3375% (0.57   0.21   0.02) =   4.905%  kept
          HN    LYS+  66 - HN    ASP-  44  11.14 +/- 2.42  18.210% *  2.9150% (0.90   0.02   0.02) =   1.983%  kept
          HN    LYS+  81 - HN    ASP-  44  12.30 +/- 1.66  13.611% *  0.5015% (0.15   0.02   0.02) =   0.255%  kept
    Distance limit 4.62 A violated in 11 structures by 1.81 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.713, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  13.85 +/- 2.12  40.180% * 36.0114% (0.77   0.02   0.02) =  44.005%  kept
          HN    GLN   17 - HN    ASP-  62  13.77 +/- 2.84  42.727% * 29.1578% (0.63   0.02   0.02) =  37.889%  kept
          HN    TRP   87 - HN    ASP-  62  20.72 +/- 3.29  17.093% * 34.8308% (0.75   0.02   0.02) =  18.107%  kept
    Distance limit 3.49 A violated in 20 structures by 8.03 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.325, support = 5.79, residual support = 41.9:
        T HN    LEU   63 - HN    ASP-  62   2.65 +/- 0.15  96.525% * 68.5019% (0.32 10.00   5.85  42.39) =  98.806%  kept
        T HN    ILE   56 - HN    ASP-  62   9.21 +/- 0.98   2.574% * 31.0026% (0.42 10.00   0.70   0.02) =   1.192%  kept
          HN    LYS+ 111 - HN    ASP-  62  15.87 +/- 2.04   0.538% *  0.1583% (0.75  1.00   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ASP-  62  20.21 +/- 2.29   0.244% *  0.1583% (0.75  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    ASP-  62  25.80 +/- 2.16   0.120% *  0.1789% (0.84  1.00   0.02   0.02) =   0.000%
    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 = 0.933, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   9.53 +/- 1.59  88.015% * 48.0011% (0.92   0.02   0.02) =  87.145%  kept
          HN    ALA  110 - HN    LEU   73  19.77 +/- 4.09  11.985% * 51.9989% (1.00   0.02   0.02) =  12.855%  kept
    Distance limit 4.08 A violated in 20 structures by 5.42 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.471, support = 3.59, residual support = 16.8:
          HN    VAL   75 - HN    ASP-  76   4.39 +/- 0.06  60.023% * 44.2763% (0.28   4.64  26.37) =  56.944%  kept
          HN    ASP-  78 - HN    ASP-  76   5.22 +/- 0.26  36.372% * 55.2249% (0.73   2.21   4.09) =  43.039%  kept
          HN    MET   11 - HN    ASP-  76  23.47 +/- 7.18   2.719% *  0.1910% (0.28   0.02   0.02) =   0.011%
          HN    LYS+ 112 - HN    ASP-  76  18.42 +/- 1.79   0.885% *  0.3079% (0.45   0.02   0.02) =   0.006%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.32, residual support = 28.5:
        T HN    LYS+ 111 - HN    LYS+ 112   4.40 +/- 0.14  77.731% * 97.6939% (0.87 10.00   5.34  28.63) =  99.538%  kept
          HN    ILE   56 - HN    LYS+ 112   9.48 +/- 3.09  17.010% *  2.0558% (0.49  1.00   0.75   4.90) =   0.458%  kept
          HN    LEU   63 - HN    LYS+ 112  13.55 +/- 2.19   4.088% *  0.0423% (0.38  1.00   0.02   0.02) =   0.002%
          HN    ALA   84 - HN    LYS+ 112  19.85 +/- 2.02   0.955% *  0.0977% (0.87  1.00   0.02   0.02) =   0.001%
          HE21  GLN   32 - HN    LYS+ 112  32.15 +/- 2.49   0.215% *  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 = 0.501, support = 0.02, residual support = 0.118:
          QD    PHE   60 - HN    GLN  116   9.47 +/- 2.04  32.303% * 26.8436% (0.65   0.02   0.02) =  51.741%  kept
          QD    PHE   55 - HN    GLN  116   8.20 +/- 2.53  48.232% * 11.5373% (0.28   0.02   0.32) =  33.203%  kept
          HN    LYS+  66 - HN    GLN  116  13.81 +/- 1.66  13.556% *  8.2119% (0.20   0.02   0.02) =   6.642%  kept
          HN    LYS+  81 - HN    GLN  116  23.43 +/- 1.42   2.286% * 39.2529% (0.95   0.02   0.02) =   5.354%  kept
          HE3   TRP   27 - HN    GLN  116  19.73 +/- 2.63   3.623% * 14.1544% (0.34   0.02   0.02) =   3.060%  kept
    Distance limit 4.40 A violated in 15 structures by 2.80 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.786, support = 6.01, residual support = 46.9:
      O   HA    ILE  119 - HN    ALA  120   3.60 +/- 0.02  56.155% * 84.3976% (0.80  10.0   6.22  52.73) =  88.919%  kept
          HA    THR  118 - HN    ALA  120   4.13 +/- 0.35  38.426% * 15.3662% (0.67   1.0   4.35   0.47) =  11.078%  kept
          HD3   PRO   58 - HN    ALA  120  10.89 +/- 1.70   3.139% *  0.0193% (0.18   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA  120  14.95 +/- 2.72   1.258% *  0.0400% (0.38   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA  120  21.33 +/- 3.71   0.440% *  0.0779% (0.74   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    ALA  120  20.24 +/- 2.12   0.357% *  0.0400% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  23.25 +/- 2.09   0.225% *  0.0590% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 0.988, residual support = 5.1:
          HA    SER  117 - HN    ALA  120   3.70 +/- 0.26  93.002% * 96.3358% (0.92   0.99   5.10) =  99.930%  kept
          HA    ASP-  62 - HN    ALA  120  12.27 +/- 1.70   3.269% *  1.0273% (0.49   0.02   0.02) =   0.037%
          HA    ALA   57 - HN    ALA  120  12.76 +/- 1.05   2.506% *  0.8027% (0.38   0.02   0.02) =   0.022%
          HB    THR   26 - HN    ALA  120  26.87 +/- 3.93   0.391% *  1.4922% (0.71   0.02   0.02) =   0.007%
          HA1   GLY   51 - HN    ALA  120  20.05 +/- 2.89   0.831% *  0.3420% (0.16   0.02   0.02) =   0.003%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.17, residual support = 110.4:
      O   HG3   GLN  116 - HE21  GLN  116   3.31 +/- 0.45  98.596% * 99.8198% (0.69  10.0   4.17 110.41) =  99.999%  kept
          HB3   TRP   87 - HE21  GLN  116  20.96 +/- 1.93   0.511% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  17.92 +/- 1.59   0.756% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  32.01 +/- 3.81   0.138% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.633, support = 3.58, residual support = 87.4:
          HG    LEU  115 - HE21  GLN  116   7.09 +/- 2.11  27.684% * 31.0228% (0.41   4.24  98.67) =  46.961%  kept
          HB3   LEU  115 - HE21  GLN  116   7.77 +/- 1.06  12.512% * 60.7541% (0.95   3.61  98.67) =  41.566%  kept
          QB    ALA  120 - HE21  GLN  116   6.52 +/- 2.07  33.150% *  6.1798% (0.41   0.84   0.15) =  11.202%  kept
          QG    LYS+  66 - HE21  GLN  116  12.60 +/- 3.72   8.083% *  0.2446% (0.69   0.02   0.02) =   0.108%  kept
          QB    ALA   61 - HE21  GLN  116  10.72 +/- 1.66   5.595% *  0.1215% (0.34   0.02   0.02) =   0.037%
          HG    LEU   73 - HE21  GLN  116  20.08 +/- 4.90   2.006% *  0.3089% (0.87   0.02   0.02) =   0.034%
          HG    LEU   67 - HE21  GLN  116  16.41 +/- 3.70   1.564% *  0.3089% (0.87   0.02   0.02) =   0.026%
          HG    LEU   40 - HE21  GLN  116  17.99 +/- 2.76   1.071% *  0.3369% (0.95   0.02   0.02) =   0.020%
          HB3   LEU   67 - HE21  GLN  116  16.60 +/- 4.19   1.863% *  0.1734% (0.49   0.02   0.02) =   0.018%
          QB    ALA  110 - HE21  GLN  116  10.95 +/- 1.62   4.836% *  0.0624% (0.18   0.02   0.02) =   0.016%
          HG2   LYS+ 102 - HE21  GLN  116  25.13 +/- 2.58   0.343% *  0.3369% (0.95   0.02   0.02) =   0.006%
          HB3   LEU   40 - HE21  GLN  116  19.31 +/- 2.89   0.863% *  0.0793% (0.22   0.02   0.02) =   0.004%
          HG    LEU   80 - HE21  GLN  116  23.79 +/- 2.96   0.428% *  0.0705% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.73 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.509, support = 1.39, residual support = 0.79:
          QB    GLU- 114 - HN    SER  117   4.91 +/- 0.49  46.364% * 63.8438% (0.61   1.33   0.87) =  75.420%  kept
          HB    ILE  119 - HN    SER  117   5.34 +/- 0.40  36.735% * 25.6591% (0.20   1.64   0.55) =  24.017%  kept
          HB2   LYS+ 111 - HN    SER  117   8.83 +/- 1.22   9.510% *  1.5817% (1.00   0.02   0.02) =   0.383%  kept
          HB3   PRO   68 - HN    SER  117  17.89 +/- 3.33   1.569% *  1.3241% (0.84   0.02   0.02) =   0.053%
          HG2   PRO   68 - HN    SER  117  16.70 +/- 3.80   2.470% *  0.7107% (0.45   0.02   0.02) =   0.045%
          HB2   GLN   17 - HN    SER  117  22.68 +/- 3.17   0.580% *  1.5817% (1.00   0.02   0.02) =   0.023%
          QB    GLU-  15 - HN    SER  117  23.82 +/- 3.03   0.502% *  1.5817% (1.00   0.02   0.02) =   0.020%
          HB    ILE   19 - HN    SER  117  22.65 +/- 3.26   0.613% *  0.8340% (0.53   0.02   0.02) =   0.013%
          HG3   GLN   30 - HN    SER  117  24.93 +/- 3.65   0.473% *  0.7107% (0.45   0.02   0.02) =   0.009%
          HB3   GLU-  25 - HN    SER  117  29.83 +/- 2.88   0.228% *  1.4634% (0.92   0.02   0.02) =   0.009%
          HB3   GLU- 100 - HN    SER  117  24.22 +/- 2.39   0.441% *  0.3953% (0.25   0.02   0.02) =   0.004%
          HB2   GLN   30 - HN    SER  117  23.76 +/- 3.17   0.513% *  0.3137% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.73 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.87, support = 2.5, residual support = 2.79:
          HG    LEU  115 - HN    SER  117   5.60 +/- 0.83  29.145% * 41.3989% (0.84   2.95   2.31) =  42.217%  kept
          HB3   LEU  115 - HN    SER  117   5.44 +/- 0.33  28.691% * 40.1742% (0.92   2.59   2.31) =  40.330%  kept
          QB    ALA  120 - HN    SER  117   5.48 +/- 0.54  29.025% * 17.0955% (0.84   1.22   5.10) =  17.362%  kept
          HG    LEU   67 - HN    SER  117  16.36 +/- 3.87   3.928% *  0.3298% (0.98   0.02   0.02) =   0.045%
          HG    LEU   40 - HN    SER  117  16.67 +/- 2.70   1.234% *  0.3106% (0.92   0.02   0.02) =   0.013%
          HG    LEU   73 - HN    SER  117  19.88 +/- 4.68   2.211% *  0.1509% (0.45   0.02   0.02) =   0.012%
          QG    LYS+  66 - HN    SER  117  13.59 +/- 2.96   2.641% *  0.0936% (0.28   0.02   0.02) =   0.009%
          HB3   LEU   40 - HN    SER  117  18.20 +/- 2.89   0.939% *  0.2041% (0.61   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    SER  117  16.46 +/- 3.79   1.747% *  0.0519% (0.15   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    SER  117  22.63 +/- 2.43   0.439% *  0.1905% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.975, support = 3.24, residual support = 14.2:
          HB2   PHE   97 - HN    LEU  104   3.86 +/- 1.26  60.073% * 79.9691% (1.00   3.46  15.39) =  91.538%  kept
          QE    LYS+ 106 - HN    LEU  104   6.07 +/- 1.23  26.715% * 15.2945% (0.76   0.86   0.43) =   7.786%  kept
          QE    LYS+  99 - HN    LEU  104   7.84 +/- 1.34   8.762% *  3.9339% (0.38   0.45  17.61) =   0.657%  kept
          HB3   TRP   27 - HN    LEU  104  16.37 +/- 1.87   1.055% *  0.4591% (0.99   0.02   0.02) =   0.009%
          HB3   PHE   60 - HN    LEU  104  15.79 +/- 3.01   1.413% *  0.2622% (0.57   0.02   0.02) =   0.007%
          QE    LYS+  38 - HN    LEU  104  13.46 +/- 1.98   1.983% *  0.0811% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.939, support = 5.4, residual support = 36.1:
          HG12  ILE  103 - HN    LEU  104   3.75 +/- 0.54  62.418% * 83.1369% (0.97   5.60  38.14) =  94.581%  kept
          QB    LYS+ 102 - HN    LEU  104   5.96 +/- 0.45  19.081% * 15.3490% (0.49   2.05   0.29) =   5.338%  kept
          HB    VAL   41 - HN    LEU  104   8.85 +/- 1.85  10.003% *  0.3079% (1.00   0.02   0.02) =   0.056%
          HB2   LEU   71 - HN    LEU  104  12.75 +/- 2.66   4.674% *  0.1050% (0.34   0.02   0.02) =   0.009%
          QB    LYS+  66 - HN    LEU  104  15.67 +/- 2.06   1.188% *  0.2913% (0.95   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    LEU  104  18.67 +/- 4.52   0.745% *  0.2353% (0.76   0.02   0.02) =   0.003%
          HG2   PRO   93 - HN    LEU  104  18.03 +/- 0.89   0.651% *  0.2236% (0.73   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    LEU  104  16.88 +/- 1.99   0.891% *  0.1156% (0.38   0.02   0.02) =   0.002%
          HB3   PRO   52 - HN    LEU  104  23.15 +/- 2.49   0.349% *  0.2353% (0.76   0.02   0.02) =   0.001%
    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 = 0.605, support = 1.83, residual support = 31.1:
          QB    LEU   98 - HN    ILE  103   4.18 +/- 0.58  81.178% * 89.1888% (0.61   1.83  31.19) =  99.703%  kept
          HD3   LYS+ 121 - HN    ILE  103  17.16 +/- 6.64   3.319% *  1.4376% (0.90   0.02   0.02) =   0.066%
          HB2   LEU   80 - HN    ILE  103  16.39 +/- 3.39   2.542% *  1.5712% (0.98   0.02   0.02) =   0.055%
          QB    ALA   61 - HN    ILE  103  17.25 +/- 4.20   3.271% *  0.9075% (0.57   0.02   0.02) =   0.041%
          HG    LEU   80 - HN    ILE  103  16.61 +/- 3.56   2.139% *  1.2250% (0.76   0.02   0.02) =   0.036%
          HG12  ILE   19 - HN    ILE  103  19.01 +/- 4.21   1.397% *  1.3904% (0.87   0.02   0.02) =   0.027%
          QB    ALA  110 - HN    ILE  103  17.88 +/- 1.95   1.306% *  1.2835% (0.80   0.02   0.02) =   0.023%
          HB3   LYS+  74 - HN    ILE  103  19.12 +/- 2.55   1.092% *  1.3904% (0.87   0.02   0.02) =   0.021%
          HB3   LEU   67 - HN    ILE  103  16.97 +/- 2.49   2.035% *  0.6590% (0.41   0.02   0.02) =   0.018%
          QG    LYS+  66 - HN    ILE  103  19.29 +/- 2.18   1.153% *  0.3997% (0.25   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    ILE  103  24.56 +/- 4.30   0.567% *  0.5468% (0.34   0.02   0.02) =   0.004%
    Distance limit 4.45 A violated in 1 structures by 0.11 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.762, support = 5.25, residual support = 35.7:
          QD2   LEU  104 - HN    ILE  103   4.70 +/- 0.83  26.817% * 78.9445% (1.00   5.58  38.14) =  65.559%  kept
          QD1   LEU   98 - HN    ILE  103   3.20 +/- 0.89  54.777% * 20.2749% (0.31   4.64  31.19) =  34.392%  kept
          QG1   VAL   43 - HN    ILE  103   8.43 +/- 1.73   7.344% *  0.0966% (0.34   0.02   0.02) =   0.022%
          QG1   VAL   41 - HN    ILE  103   7.97 +/- 2.19   9.247% *  0.0560% (0.20   0.02   0.02) =   0.016%
          QD1   ILE   19 - HN    ILE  103  16.59 +/- 2.81   0.602% *  0.2732% (0.97   0.02   0.02) =   0.005%
          QG2   THR   46 - HN    ILE  103  15.46 +/- 2.23   0.660% *  0.1945% (0.69   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    ILE  103  17.30 +/- 2.55   0.553% *  0.1603% (0.57   0.02   0.02) =   0.003%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.41, support = 6.86, residual support = 213.7:
          QD1   LEU  104 - HN    LEU  104   3.93 +/- 0.77  66.385% * 97.1234% (0.41   6.88 214.10) =  99.792%  kept
          QD1   LEU   63 - HN    LEU  104  11.25 +/- 1.93   5.852% *  0.6629% (0.97   0.02   0.02) =   0.060%
          QD2   LEU   63 - HN    LEU  104  11.01 +/- 2.63   7.160% *  0.4988% (0.73   0.02   0.02) =   0.055%
          QD1   LEU   73 - HN    LEU  104  12.75 +/- 1.76   2.728% *  0.6629% (0.97   0.02   0.02) =   0.028%
          QG2   VAL   41 - HN    LEU  104   8.02 +/- 1.59  12.476% *  0.1359% (0.20   0.02   0.02) =   0.026%
          QD2   LEU  115 - HN    LEU  104  12.33 +/- 1.51   3.252% *  0.4718% (0.69   0.02   0.02) =   0.024%
          QD2   LEU   80 - HN    LEU  104  14.13 +/- 2.40   2.147% *  0.4443% (0.65   0.02   0.02) =   0.015%
    Distance limit 4.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.653, support = 4.92, residual support = 17.6:
          QD1   LEU   98 - HN    ASP- 105   5.60 +/- 0.73  32.809% * 76.4640% (0.95   3.95   6.92) =  61.975%  kept
          QD2   LEU  104 - HN    ASP- 105   4.17 +/- 0.56  66.036% * 23.3044% (0.18   6.51  35.12) =  38.018%  kept
          QG2   ILE   19 - HN    ASP- 105  16.97 +/- 1.36   1.156% *  0.2316% (0.57   0.02   0.02) =   0.007%
    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 = 0.896, support = 4.01, residual support = 134.1:
          HG3   LYS+ 106 - HN    LYS+ 106   3.58 +/- 0.71  62.040% * 95.5272% (0.90   4.01 134.30) =  99.855%  kept
          HB    VAL   42 - HN    LYS+ 106  10.85 +/- 1.68   3.586% *  0.5296% (1.00   0.02   0.02) =   0.032%
          HD3   LYS+ 121 - HN    LYS+ 106  10.81 +/- 6.70  14.522% *  0.0929% (0.18   0.02   0.02) =   0.023%
          HG3   LYS+ 102 - HN    LYS+ 106  12.12 +/- 1.32   2.226% *  0.5260% (0.99   0.02   0.02) =   0.020%
          QB    LEU   98 - HN    LYS+ 106   8.53 +/- 0.60   5.360% *  0.2182% (0.41   0.02   0.02) =   0.020%
          HB2   LYS+ 112 - HN    LYS+ 106  13.93 +/- 1.39   1.777% *  0.5122% (0.97   0.02   0.02) =   0.015%
          HG    LEU   98 - HN    LYS+ 106  10.22 +/- 1.54   4.053% *  0.1182% (0.22   0.02   0.02) =   0.008%
          HB3   LEU   73 - HN    LYS+ 106  17.29 +/- 2.57   0.854% *  0.5296% (1.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HN    LYS+ 106  13.68 +/- 1.24   1.453% *  0.1810% (0.34   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    LYS+ 106  19.78 +/- 2.02   0.481% *  0.5296% (1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HN    LYS+ 106  21.49 +/- 2.07   0.399% *  0.5202% (0.98   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    LYS+ 106  14.46 +/- 2.16   1.266% *  0.1638% (0.31   0.02   0.02) =   0.003%
          QB    ALA  124 - HN    LYS+ 106  16.86 +/- 4.17   1.061% *  0.0819% (0.15   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LYS+ 106  26.40 +/- 3.06   0.219% *  0.3646% (0.69   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LYS+ 106  18.85 +/- 2.06   0.705% *  0.1050% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 2.85, residual support = 26.4:
          QG1   VAL  107 - HN    LYS+ 106   4.99 +/- 0.64  79.388% * 97.0496% (0.53   2.85  26.49) =  99.848%  kept
          HG    LEU   63 - HN    LYS+ 106  13.48 +/- 2.50   5.450% *  0.9400% (0.73   0.02   0.02) =   0.066%
          QG2   VAL   24 - HN    LYS+ 106  17.10 +/- 1.74   2.544% *  1.1229% (0.87   0.02   0.02) =   0.037%
          HG3   LYS+ 112 - HN    LYS+ 106  13.34 +/- 1.25   5.381% *  0.3995% (0.31   0.02   0.02) =   0.028%
          HD3   LYS+ 112 - HN    LYS+ 106  13.75 +/- 1.59   5.288% *  0.1997% (0.15   0.02   0.02) =   0.014%
          QG1   VAL   24 - HN    LYS+ 106  18.32 +/- 1.50   1.948% *  0.2882% (0.22   0.02   0.02) =   0.007%
    Distance limit 4.90 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 65.1:
          QG1   VAL  108 - HN    VAL  108   3.54 +/- 0.14  92.782% * 99.4335% (0.98   4.52  65.12) =  99.986%  kept
          QD1   LEU   40 - HN    VAL  108  13.06 +/- 1.63   2.289% *  0.2185% (0.49   0.02   0.02) =   0.005%
          QD2   LEU   67 - HN    VAL  108  15.84 +/- 3.35   3.353% *  0.1119% (0.25   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    VAL  108  15.26 +/- 2.50   1.577% *  0.2361% (0.53   0.02   0.02) =   0.004%
    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 = 0.998, support = 2.84, residual support = 7.59:
          QG2   ILE   89 - HN    ALA   91   3.49 +/- 0.42  79.100% * 98.0666% (1.00   2.84   7.61) =  99.746%  kept
          QG1   VAL   83 - HN    TRP   27   9.17 +/- 4.60  13.404% *  1.3654% (0.07   0.61   0.68) =   0.235%  kept
          QG1   VAL   83 - HN    ALA   91  10.69 +/- 0.99   3.287% *  0.3631% (0.53   0.02   0.02) =   0.015%
          QG2   ILE   89 - HN    TRP   27  13.36 +/- 3.10   2.071% *  0.0853% (0.12   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ALA   91  17.37 +/- 2.38   0.889% *  0.1065% (0.15   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    TRP   27  16.92 +/- 2.27   1.250% *  0.0132% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.45, support = 5.27, residual support = 38.9:
          HG3   LYS+  99 - HN    GLU- 100   3.57 +/- 0.83  51.852% * 94.9534% (0.45   5.30  39.18) =  99.393%  kept
          QB    ALA   34 - HN    GLU- 100   6.65 +/- 3.05  26.135% *  0.5803% (0.73   0.02   0.02) =   0.306%  kept
          QG2   THR   39 - HN    GLU- 100   7.59 +/- 2.21   9.403% *  0.7560% (0.95   0.02   0.02) =   0.144%  kept
          HG3   LYS+  38 - HN    GLU- 100   8.35 +/- 2.20   6.671% *  0.7921% (0.99   0.02   0.02) =   0.107%  kept
          HG13  ILE   19 - HN    GLU- 100  16.32 +/- 4.33   1.659% *  0.5170% (0.65   0.02   0.02) =   0.017%
          HG    LEU   71 - HN    GLU- 100  11.53 +/- 2.34   2.538% *  0.2999% (0.38   0.02   0.02) =   0.015%
          QG2   ILE   56 - HN    GLU- 100  19.96 +/- 2.39   0.415% *  0.7167% (0.90   0.02   0.02) =   0.006%
          QB    ALA   91 - HN    GLU- 100  20.49 +/- 1.14   0.349% *  0.7560% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+  74 - HN    GLU- 100  18.58 +/- 2.85   0.532% *  0.3286% (0.41   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    GLU- 100  19.25 +/- 2.51   0.446% *  0.2999% (0.38   0.02   0.02) =   0.003%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.563, support = 0.977, residual support = 5.48:
          QB    ALA   84 - HN    LYS+  81   4.49 +/- 0.20  74.086% * 76.0540% (0.57   0.98   5.52) =  99.293%  kept
          HB3   LEU   73 - HN    LYS+  81  13.99 +/- 2.00   2.925% *  2.5214% (0.92   0.02   0.02) =   0.130%  kept
          HB    VAL   42 - HN    LYS+  81  17.12 +/- 2.39   1.846% *  2.3693% (0.87   0.02   0.02) =   0.077%
          HG    LEU   98 - HN    LYS+  81  17.99 +/- 3.64   3.329% *  1.2246% (0.45   0.02   0.02) =   0.072%
          HG3   LYS+ 102 - HN    LYS+  81  21.92 +/- 3.70   1.526% *  2.5838% (0.95   0.02   0.02) =   0.069%
          HG3   LYS+ 106 - HN    LYS+  81  18.71 +/- 2.77   1.442% *  2.7314% (1.00   0.02   0.02) =   0.069%
          HB3   PRO   93 - HN    LYS+  81  15.79 +/- 1.45   1.854% *  1.6567% (0.61   0.02   0.02) =   0.054%
          HG3   LYS+  33 - HN    LYS+  81  20.00 +/- 4.09   1.180% *  2.1872% (0.80   0.02   0.02) =   0.045%
          HG3   LYS+  65 - HN    LYS+  81  21.16 +/- 3.42   1.013% *  2.3693% (0.87   0.02   0.02) =   0.042%
          QB    LEU   98 - HN    LYS+  81  15.46 +/- 2.70   4.314% *  0.5405% (0.20   0.02   0.02) =   0.041%
          HB2   LYS+ 112 - HN    LYS+  81  21.76 +/- 2.41   0.742% *  2.6774% (0.98   0.02   0.02) =   0.035%
          HB3   ASP-  44 - HN    LYS+  81  14.00 +/- 1.97   3.213% *  0.6081% (0.22   0.02   0.02) =   0.034%
          QB    ALA   12 - HN    LYS+  81  23.29 +/- 5.53   1.190% *  1.1229% (0.41   0.02   0.02) =   0.024%
          HB2   LEU   63 - HN    LYS+  81  19.97 +/- 2.26   0.977% *  0.4214% (0.15   0.02   0.02) =   0.007%
          QB    ALA  124 - HN    LYS+  81  27.79 +/- 2.73   0.366% *  0.9317% (0.34   0.02   0.02) =   0.006%
    Distance limit 4.26 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 = 5.79, residual support = 212.2:
          QD1   ILE   89 - HN    ILE   89   3.43 +/- 0.39  74.885% * 94.3989% (0.92   5.89 215.96) =  98.263%  kept
          QG2   VAL   83 - HN    ILE   89   5.47 +/- 0.79  23.218% *  5.3627% (1.00   0.31   0.02) =   1.731%  kept
          QD2   LEU   31 - HN    ILE   89  12.89 +/- 2.57   1.897% *  0.2385% (0.69   0.02   0.02) =   0.006%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.367, support = 4.08, residual support = 9.73:
          QB    ALA   88 - HN    ILE   89   3.35 +/- 0.33  57.807% * 60.0429% (0.34   4.74   8.82) =  75.621%  kept
          QB    ALA   84 - HN    ILE   89   4.38 +/- 0.88  32.640% * 34.1074% (0.45   2.05  12.64) =  24.254%  kept
          HB3   LEU   80 - HN    ILE   89   9.31 +/- 1.31   3.429% *  0.7287% (0.98   0.02   0.02) =   0.054%
          HB3   ASP-  44 - HN    ILE   89  12.30 +/- 1.39   1.513% *  0.6210% (0.84   0.02   0.02) =   0.020%
          HB3   PRO   93 - HN    ILE   89  12.11 +/- 1.16   1.510% *  0.3056% (0.41   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    ILE   89  14.13 +/- 2.25   1.023% *  0.4209% (0.57   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    ILE   89  16.78 +/- 3.53   0.564% *  0.7418% (1.00   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - HN    ILE   89  17.36 +/- 2.53   0.534% *  0.7287% (0.98   0.02   0.02) =   0.008%
          HB2   LEU   63 - HN    ILE   89  18.40 +/- 2.54   0.396% *  0.6863% (0.92   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HN    ILE   89  20.22 +/- 1.74   0.287% *  0.5953% (0.80   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    ILE   89  25.02 +/- 2.47   0.150% *  0.5107% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HN    ILE   89  25.15 +/- 1.89   0.148% *  0.5107% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.667, support = 3.89, residual support = 34.5:
          QB    ALA   91 - HN    GLN   90   3.89 +/- 0.43  55.249% * 61.1613% (0.84   3.04  32.52) =  71.235%  kept
          HG12  ILE   89 - HN    GLN   90   4.51 +/- 0.59  37.889% * 35.9686% (0.25   5.99  39.34) =  28.730%  kept
          HG2   LYS+  74 - HN    GLN   90  15.73 +/- 1.88   0.979% *  0.4443% (0.92   0.02   0.02) =   0.009%
          QG2   ILE   56 - HN    GLN   90  14.99 +/- 3.23   1.725% *  0.1806% (0.38   0.02   0.02) =   0.007%
          HG3   LYS+ 111 - HN    GLN   90  14.65 +/- 2.67   1.976% *  0.0953% (0.20   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    GLN   90  20.02 +/- 1.72   0.436% *  0.4020% (0.84   0.02   0.02) =   0.004%
          HG    LEU   71 - HN    GLN   90  22.44 +/- 3.43   0.367% *  0.4317% (0.90   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    GLN   90  23.22 +/- 3.10   0.318% *  0.4813% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    GLN   90  22.52 +/- 1.41   0.305% *  0.4553% (0.95   0.02   0.02) =   0.003%
          QB    ALA   34 - HN    GLN   90  18.27 +/- 1.58   0.596% *  0.1072% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    GLN   90  28.21 +/- 1.79   0.159% *  0.2725% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.92 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 = 5.58, residual support = 89.2:
      O   HB2   GLN   90 - HN    GLN   90   3.56 +/- 0.38  93.151% * 99.4917% (0.73  10.0   5.59  89.25) =  99.991%  kept
          HB3   GLU-  79 - HN    GLN   90  14.09 +/- 2.63   5.249% *  0.1343% (0.98   1.0   0.02   0.02) =   0.008%
          HB3   GLU-  29 - HN    GLN   90  24.09 +/- 3.30   0.382% *  0.1229% (0.90   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLN   90  25.34 +/- 1.44   0.292% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  23.67 +/- 3.39   0.408% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  24.56 +/- 1.26   0.307% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  28.26 +/- 1.65   0.211% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 5.51, residual support = 43.9:
          QD2   LEU   73 - HN    PHE   72   4.64 +/- 0.72  33.303% * 97.8872% (0.87   5.55  44.16) =  99.318%  kept
          QG1   VAL   43 - HN    PHE   72   7.97 +/- 1.36  11.392% *  0.9223% (0.57   0.08   0.02) =   0.320%  kept
          QG1   VAL   41 - HN    PHE   72   6.73 +/- 1.46  17.727% *  0.3109% (0.76   0.02   0.02) =   0.168%  kept
          QG2   VAL   18 - HN    PHE   72   5.95 +/- 2.94  26.557% *  0.1388% (0.34   0.02   0.56) =   0.112%  kept
          HG    LEU   31 - HN    PHE   72  10.10 +/- 1.50   4.101% *  0.3926% (0.97   0.02   0.02) =   0.049%
          QD1   ILE   56 - HN    PHE   72  12.60 +/- 2.12   2.455% *  0.2467% (0.61   0.02   0.02) =   0.018%
          QG2   THR   46 - HN    PHE   72  10.29 +/- 1.73   4.465% *  0.1014% (0.25   0.02   0.02) =   0.014%
    Distance limit 4.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 46.6:
          QB    ALA   64 - HN    PHE   72   4.25 +/- 0.93  96.461% * 99.9174% (1.00   4.23  46.61) =  99.997%  kept
          QB    ALA   47 - HN    PHE   72  14.98 +/- 1.48   3.539% *  0.0826% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.70 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.702, support = 2.67, residual support = 8.26:
          HB    ILE   19 - HN    LYS+  74   6.23 +/- 3.22  43.668% * 91.9542% (0.71   2.70   8.38) =  98.550%  kept
          HB2   GLN   17 - HN    LYS+  74  10.88 +/- 3.61   8.409% *  4.7190% (0.43   0.23   0.02) =   0.974%  kept
          QB    GLU- 114 - HN    LYS+  74  17.83 +/- 3.49   7.022% *  0.6806% (0.71   0.02   0.02) =   0.117%  kept
          HG2   PRO   68 - HN    LYS+  74  14.72 +/- 1.94   5.068% *  0.6686% (0.69   0.02   0.02) =   0.083%
          QB    GLU-  15 - HN    LYS+  74  12.88 +/- 2.87   7.235% *  0.4137% (0.43   0.02   0.02) =   0.073%
          HB3   GLU-  25 - HN    LYS+  74  13.52 +/- 2.36   5.455% *  0.5462% (0.57   0.02   0.02) =   0.073%
          HB2   LEU  115 - HN    LYS+  74  15.72 +/- 3.36   9.800% *  0.2327% (0.24   0.02   0.02) =   0.056%
          HB3   PRO   68 - HN    LYS+  74  14.51 +/- 2.45   7.845% *  0.1701% (0.18   0.02   0.02) =   0.033%
          HB2   LYS+ 111 - HN    LYS+  74  21.17 +/- 3.26   2.374% *  0.3589% (0.37   0.02   0.02) =   0.021%
          HG3   PRO   58 - HN    LYS+  74  17.49 +/- 2.52   3.125% *  0.2560% (0.27   0.02   0.02) =   0.020%
    Distance limit 4.69 A violated in 8 structures by 1.18 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.42, residual support = 41.2:
          QD1   LEU   73 - HN    LYS+  74   3.85 +/- 0.84  61.070% * 97.1295% (0.37   5.44  41.36) =  99.664%  kept
          QD2   LEU   80 - HN    LYS+  74   7.46 +/- 1.94  17.008% *  0.6089% (0.64   0.02   0.02) =   0.174%  kept
          QG1   VAL   83 - HN    LYS+  74   9.83 +/- 1.55   5.802% *  0.5189% (0.54   0.02   0.02) =   0.051%
          QD2   LEU  115 - HN    LYS+  74  12.93 +/- 2.57   4.302% *  0.5890% (0.61   0.02   0.02) =   0.043%
          QD1   LEU   63 - HN    LYS+  74   9.83 +/- 1.46   5.656% *  0.3572% (0.37   0.02   0.02) =   0.034%
          QD1   LEU  104 - HN    LYS+  74  14.86 +/- 2.70   2.453% *  0.6775% (0.71   0.02   0.02) =   0.028%
          QG2   ILE   89 - HN    LYS+  74  11.19 +/- 1.47   3.709% *  0.1189% (0.12   0.02   0.02) =   0.007%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.357, support = 4.44, residual support = 26.5:
          QG2   THR   77 - HN    ASP-  78   3.77 +/- 0.58  56.686% * 77.3813% (0.34   4.65  27.63) =  94.944%  kept
          HB3   LEU   80 - HN    ASP-  78   6.82 +/- 0.94  13.315% * 16.6262% (0.69   0.50   5.96) =   4.792%  kept
          HB2   LEU   31 - HN    ASP-  78  16.80 +/- 4.65   4.464% *  0.8154% (0.84   0.02   0.02) =   0.079%
          QB    ALA   88 - HN    ASP-  78  12.21 +/- 2.06   4.114% *  0.7089% (0.73   0.02   0.02) =   0.063%
          QB    ALA   84 - HN    ASP-  78   6.64 +/- 1.11  14.604% *  0.1506% (0.15   0.02   0.02) =   0.048%
          HB3   ASP-  44 - HN    ASP-  78  11.28 +/- 1.90   3.386% *  0.4377% (0.45   0.02   0.02) =   0.032%
          HB2   LEU   63 - HN    ASP-  78  16.52 +/- 2.77   0.934% *  0.5527% (0.57   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - HN    ASP-  78  20.67 +/- 3.14   0.558% *  0.8755% (0.90   0.02   0.02) =   0.011%
          HG2   LYS+  38 - HN    ASP-  78  25.58 +/- 4.66   0.424% *  0.9569% (0.98   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HN    ASP-  78  23.65 +/- 3.19   0.305% *  0.9762% (1.00   0.02   0.02) =   0.006%
          HG    LEU   98 - HN    ASP-  78  18.40 +/- 3.45   0.953% *  0.2173% (0.22   0.02   0.02) =   0.004%
          QB    ALA  124 - HN    ASP-  78  25.65 +/- 3.16   0.258% *  0.3013% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.942, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   9.16 +/- 3.37  58.208% * 32.6601% (0.92   0.02   0.02) =  57.079%  kept
          QG1   VAL   42 - HN    ASP-  78  12.26 +/- 0.94  31.986% * 34.6797% (0.98   0.02   0.02) =  33.305%  kept
          HG2   LYS+ 112 - HN    ASP-  78  16.87 +/- 2.46   9.806% * 32.6601% (0.92   0.02   0.02) =   9.616%  kept
    Distance limit 4.63 A violated in 17 structures by 3.63 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.661, support = 4.19, residual support = 24.5:
          HB    THR   77 - HN    ASP-  78   3.96 +/- 0.36  59.300% * 37.6200% (0.45   4.65  27.63) =  55.029%  kept
          HA    GLU-  79 - HN    ASP-  78   5.04 +/- 0.18  30.017% * 60.6592% (0.92   3.64  20.66) =  44.915%  kept
          HA1   GLY   51 - HN    ASP-  78  16.62 +/- 4.59   1.821% *  0.3603% (1.00   0.02   0.02) =   0.016%
          HA    ASP-  44 - HN    ASP-  78  11.27 +/- 1.39   3.099% *  0.1355% (0.38   0.02   0.02) =   0.010%
          HA    ALA   57 - HN    ASP-  78  17.59 +/- 4.92   1.257% *  0.3238% (0.90   0.02   0.02) =   0.010%
          HA    SER   85 - HN    ASP-  78  12.35 +/- 0.81   2.061% *  0.1619% (0.45   0.02   0.02) =   0.008%
          HA    THR   39 - HN    ASP-  78  21.97 +/- 3.50   0.572% *  0.3485% (0.97   0.02   0.02) =   0.005%
          HA    ILE  103 - HN    ASP-  78  19.53 +/- 2.67   0.738% *  0.2044% (0.57   0.02   0.02) =   0.004%
          HA    MET   11 - HN    ASP-  78  26.89 +/- 7.46   0.835% *  0.1232% (0.34   0.02   0.02) =   0.003%
          HA    SER  117 - HN    ASP-  78  24.30 +/- 2.40   0.301% *  0.0632% (0.18   0.02   0.02) =   0.000%
    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 = 39.7:
      O   HA    ASP-  78 - HN    ASP-  78   2.80 +/- 0.06  89.526% * 98.6747% (1.00  10.0   4.57  39.74) =  99.910%  kept
          HA    LEU   80 - HN    ASP-  78   6.96 +/- 0.71   6.446% *  1.1909% (0.49   1.0   0.50   5.96) =   0.087%
          HA    THR   23 - HN    ASP-  78  12.03 +/- 4.16   2.597% *  0.0856% (0.87   1.0   0.02   0.02) =   0.003%
          HB    THR   23 - HN    ASP-  78  13.85 +/- 3.87   1.173% *  0.0337% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.01 +/- 2.34   0.258% *  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 = 0.989, support = 8.1, residual support = 204.9:
      O   HA    ILE  119 - HN    ILE  119   2.76 +/- 0.06  59.083% * 50.7779% (1.00  10.0   8.59 270.40) =  68.452%  kept
      O   HA    THR  118 - HN    ILE  119   3.53 +/- 0.05  28.213% * 49.0042% (0.97  10.0   7.04  62.66) =  31.545%  kept
          HA2   GLY  109 - HN    ILE  119  13.27 +/- 2.65   0.867% *  0.0369% (0.73   1.0   0.02   0.02) =   0.001%
          HA    VAL   75 - HN    CYS   21   7.50 +/- 3.54   9.368% *  0.0028% (0.06   1.0   0.02   0.39) =   0.001%
          HA    ILE  119 - HN    CYS   21  19.53 +/- 4.06   0.790% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  19.44 +/- 3.12   0.245% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  20.96 +/- 2.07   0.148% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  16.13 +/- 4.07   0.423% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  19.68 +/- 4.26   0.327% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  22.04 +/- 3.77   0.206% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  17.99 +/- 1.97   0.240% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  24.57 +/- 2.01   0.090% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.701, support = 5.4, residual support = 30.4:
          HB2   CYS   53 - HN    ARG+  54   3.29 +/- 0.40  61.712% * 83.3173% (0.72   5.54  31.86) =  95.276%  kept
          HD3   PRO   52 - HN    ARG+  54   5.25 +/- 0.14  16.944% * 14.4839% (0.26   2.65   1.91) =   4.548%  kept
          HD2   PRO   58 - HN    ASP-  62   6.72 +/- 0.60   8.194% *  0.8031% (0.16   0.24   0.02) =   0.122%  kept
          HD2   PRO   58 - HN    ARG+  54   8.29 +/- 1.58   6.862% *  0.3635% (0.87   0.02   0.02) =   0.046%
          HB2   CYS   53 - HN    ASP-  62  10.90 +/- 2.37   3.572% *  0.0563% (0.14   0.02   0.02) =   0.004%
          HA    VAL   83 - HN    ARG+  54  22.40 +/- 3.19   0.314% *  0.3416% (0.82   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ARG+  54  28.41 +/- 3.44   0.140% *  0.3289% (0.79   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    ASP-  62  21.45 +/- 3.37   0.431% *  0.0615% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  25.14 +/- 2.34   0.157% *  0.1343% (0.32   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  15.40 +/- 1.97   0.980% *  0.0205% (0.05   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  21.04 +/- 2.26   0.311% *  0.0639% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  18.82 +/- 1.93   0.383% *  0.0251% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.895, support = 0.958, residual support = 1.33:
          QG2   VAL   18 - HN    ALA   61   7.62 +/- 2.38  24.219% * 56.7039% (0.95   1.25   1.97) =  67.254%  kept
          QG2   THR   46 - HN    ALA   61   7.55 +/- 2.45  27.197% * 17.3448% (0.87   0.42   0.02) =  23.101%  kept
          QD2   LEU   73 - HN    ALA   61   9.39 +/- 2.34  16.670% *  4.6473% (0.25   0.39   0.02) =   3.794%  kept
          QG1   VAL   43 - HN    ALA   61  11.45 +/- 1.75   7.620% *  6.5969% (1.00   0.14   0.02) =   2.462%  kept
          QG1   VAL   41 - HN    ALA   61  13.52 +/- 1.99   3.864% *  9.3254% (0.92   0.21   0.02) =   1.765%  kept
          QD1   ILE   19 - HN    ALA   61  12.07 +/- 2.20   6.006% *  4.6595% (0.53   0.18   0.02) =   1.370%  kept
          QD2   LEU  104 - HN    ALA   61  14.95 +/- 4.36  12.824% *  0.3611% (0.38   0.02   0.02) =   0.227%  kept
          HG    LEU   31 - HN    ALA   61  16.91 +/- 2.26   1.600% *  0.3611% (0.38   0.02   0.02) =   0.028%
    Distance limit 4.70 A violated in 2 structures by 0.57 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.92, support = 5.71, residual support = 51.7:
          QB    GLU-  36 - HN    ASN   35   4.15 +/- 0.15  68.360% * 96.8173% (0.92   5.74  51.98) =  99.497%  kept
          HB2   LYS+  38 - HN    ASN   35   7.12 +/- 0.51  14.599% *  1.9104% (0.28   0.38   0.02) =   0.419%  kept
          HB3   GLU-  29 - HN    ASN   35   9.14 +/- 0.96   7.947% *  0.3622% (0.99   0.02   0.02) =   0.043%
          HB3   GLU-  79 - HN    ASN   35  19.21 +/- 5.09   4.613% *  0.3170% (0.87   0.02   0.02) =   0.022%
          HG3   GLU-  29 - HN    ASN   35  10.90 +/- 0.87   4.205% *  0.2654% (0.73   0.02   0.02) =   0.017%
          HB2   GLN   90 - HN    ASN   35  27.04 +/- 2.49   0.277% *  0.3277% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 47.8:
      O   QB    MET   11 - HN    MET   11   2.88 +/- 0.47  91.106% * 99.3665% (0.69  10.0   3.00  47.75) =  99.996%  kept
          HG3   GLU-  36 - HN    MET   11  20.10 +/- 6.52   0.748% *  0.1255% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    MET   11   9.53 +/- 1.46   4.143% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    MET   11  12.00 +/- 2.03   2.218% *  0.0361% (0.25   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    MET   11  24.64 +/- 7.76   0.367% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  21.99 +/- 7.45   0.872% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  33.52 +/- 7.54   0.118% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  31.61 +/- 4.28   0.093% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  24.76 +/- 5.43   0.250% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  33.36 +/- 6.22   0.085% *  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 = 0.922, support = 3.31, residual support = 47.7:
          HG2   MET   11 - HN    MET   11   3.71 +/- 0.84  78.967% * 97.3780% (0.92   3.31  47.75) =  99.912%  kept
          HB2   GLU-  14 - HN    MET   11  10.72 +/- 1.81   6.257% *  0.6025% (0.95   0.02   0.02) =   0.049%
          QB    GLN   32 - HN    MET   11  18.67 +/- 5.87  11.232% *  0.1771% (0.28   0.02   0.02) =   0.026%
          HB2   PRO   68 - HN    MET   11  21.78 +/- 4.87   1.650% *  0.3100% (0.49   0.02   0.02) =   0.007%
          HG2   PRO   58 - HN    MET   11  29.54 +/- 4.35   0.249% *  0.6243% (0.98   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    MET   11  23.12 +/- 6.60   1.086% *  0.1418% (0.22   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    MET   11  34.17 +/- 6.54   0.217% *  0.6243% (0.98   0.02   0.02) =   0.002%
          HB2   PRO   93 - HN    MET   11  31.49 +/- 5.88   0.343% *  0.1418% (0.22   0.02   0.02) =   0.001%
    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 = 47.7:
          HG3   MET   11 - HN    MET   11   3.22 +/- 0.55  92.896% * 98.0250% (0.92   3.31  47.75) =  99.972%  kept
          HB3   GLU-  14 - HN    MET   11  10.94 +/- 1.63   3.484% *  0.4901% (0.76   0.02   0.02) =   0.019%
          HB3   GLN   30 - HN    MET   11  18.67 +/- 5.16   1.879% *  0.2188% (0.34   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    MET   11  34.07 +/- 7.09   0.387% *  0.3122% (0.49   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    MET   11  29.39 +/- 5.76   0.324% *  0.2875% (0.45   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    MET   11  28.00 +/- 4.53   0.210% *  0.4405% (0.69   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    MET   11  23.16 +/- 5.60   0.451% *  0.1269% (0.20   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    MET   11  23.89 +/- 4.89   0.369% *  0.0990% (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 = 0.812, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  17.46 +/- 5.61  37.811% * 22.9200% (1.00   0.02   0.02) =  52.101%  kept
          HD3   LYS+  74 - HN    MET   11  20.64 +/- 6.96  25.007% * 12.0587% (0.53   0.02   0.02) =  18.130%  kept
          QG    LYS+  81 - HN    MET   11  27.39 +/- 7.59  10.894% * 19.1444% (0.84   0.02   0.02) =  12.538%  kept
          HG2   LYS+ 106 - HN    MET   11  33.31 +/- 5.12   5.403% * 17.5161% (0.76   0.02   0.02) =   5.690%  kept
          HB3   LYS+ 121 - HN    MET   11  33.14 +/- 4.43   8.074% *  8.6021% (0.38   0.02   0.02) =   4.175%  kept
          HG    LEU  104 - HN    MET   11  30.23 +/- 4.47   7.995% *  8.6021% (0.38   0.02   0.02) =   4.135%  kept
          HB3   LYS+ 111 - HN    MET   11  35.97 +/- 5.74   4.817% * 11.1564% (0.49   0.02   0.02) =   3.231%  kept
    Distance limit 4.41 A violated in 19 structures by 10.63 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 = 12.0:
          HG2   MET   11 - HN    ALA   12   3.91 +/- 0.47  83.117% * 97.8407% (0.72   3.59  11.97) =  99.896%  kept
          HB2   GLU-  14 - HN    ALA   12   8.11 +/- 1.41  14.540% *  0.5444% (0.72   0.02   0.02) =   0.097%
          HB2   PRO   68 - HN    ALA   12  19.96 +/- 4.11   1.109% *  0.1517% (0.20   0.02   0.02) =   0.002%
          HG2   PRO   58 - HN    ALA   12  28.01 +/- 3.67   0.296% *  0.5348% (0.71   0.02   0.02) =   0.002%
          HG3   PRO   52 - HN    ALA   12  33.13 +/- 5.46   0.222% *  0.5348% (0.71   0.02   0.02) =   0.001%
          HB2   PRO   93 - HN    ALA   12  30.48 +/- 4.95   0.275% *  0.2243% (0.30   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    ALA   12  29.70 +/- 5.00   0.283% *  0.0955% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.08 +/- 4.58   0.157% *  0.0738% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.29, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.48 +/- 0.32  95.579% * 99.1918% (0.68  10.0   2.29  12.42) =  99.996%  kept
          HG3   LYS+  33 - HN    ALA   12  16.27 +/- 5.17   2.007% *  0.0992% (0.68   1.0   0.02   0.02) =   0.002%
          HB3   LEU   73 - HN    ALA   12  18.35 +/- 4.62   0.599% *  0.0876% (0.60   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    ALA   12  19.54 +/- 4.03   0.367% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  18.59 +/- 5.12   0.635% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  22.37 +/- 4.17   0.172% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  23.51 +/- 4.86   0.164% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  31.12 +/- 5.34   0.068% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  25.81 +/- 6.77   0.170% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  31.85 +/- 4.59   0.056% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.41 +/- 4.06   0.058% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.98 +/- 4.08   0.059% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  30.17 +/- 4.77   0.067% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.945, support = 1.76, residual support = 5.15:
          QB    ALA   12 - HN    SER   13   2.67 +/- 0.61  92.909% * 91.5357% (0.95   1.76   5.16) =  99.925%  kept
          HG3   LYS+  33 - HN    SER   13  14.88 +/- 4.84   3.658% *  1.0389% (0.95   0.02   0.02) =   0.045%
          HB3   LEU   73 - HN    SER   13  16.61 +/- 3.76   0.705% *  0.9173% (0.84   0.02   0.02) =   0.008%
          HG3   LYS+  65 - HN    SER   13  17.34 +/- 3.75   0.640% *  0.9849% (0.90   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HN    SER   13  16.74 +/- 4.19   0.721% *  0.4924% (0.45   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    SER   13  20.40 +/- 3.17   0.316% *  0.9849% (0.90   0.02   0.02) =   0.004%
          QB    LEU   98 - HN    SER   13  21.94 +/- 4.06   0.291% *  0.7975% (0.73   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    SER   13  29.45 +/- 4.74   0.136% *  0.8794% (0.80   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    SER   13  30.07 +/- 3.93   0.089% *  0.7975% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    SER   13  24.40 +/- 5.39   0.231% *  0.3053% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    SER   13  29.64 +/- 3.25   0.093% *  0.6661% (0.61   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    SER   13  29.87 +/- 3.69   0.095% *  0.4515% (0.41   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   13  28.54 +/- 3.58   0.116% *  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 = 2.46, residual support = 6.61:
          QB    SER   13 - HN    GLU-  14   3.21 +/- 0.64  93.135% * 95.5660% (0.45   2.46   6.62) =  99.929%  kept
          HB3   SER   37 - HN    GLU-  14  12.88 +/- 4.65   3.753% *  1.0020% (0.58   0.02   0.02) =   0.042%
          HB    THR   39 - HN    GLU-  14  13.49 +/- 3.93   2.448% *  0.8240% (0.48   0.02   0.02) =   0.023%
          HB    THR  118 - HN    GLU-  14  26.13 +/- 3.09   0.252% *  1.1969% (0.70   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    GLU-  14  29.99 +/- 3.76   0.173% *  1.0020% (0.58   0.02   0.02) =   0.002%
          HB3   SER   82 - HN    GLU-  14  27.23 +/- 4.37   0.241% *  0.4092% (0.24   0.02   0.02) =   0.001%
    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 = 0.513, support = 3.7, residual support = 37.9:
          QG    GLU-  14 - HN    GLU-  14   3.58 +/- 0.78  51.289% * 68.3001% (0.53   4.04  45.49) =  82.651%  kept
          QG    GLU-  15 - HN    GLU-  14   5.17 +/- 0.90  25.543% * 28.4431% (0.42   2.12   1.58) =  17.142%  kept
          HB2   GLU-  29 - HN    GLU-  14  15.83 +/- 4.41   5.271% *  1.2624% (0.51   0.08   0.02) =   0.157%  kept
          QB    MET   11 - HN    GLU-  14   7.24 +/- 1.43  15.612% *  0.0876% (0.14   0.02   0.02) =   0.032%
          HB3   PHE   72 - HN    GLU-  14  14.59 +/- 2.18   1.159% *  0.3699% (0.58   0.02   0.02) =   0.010%
          HB2   ASP-  44 - HN    GLU-  14  19.60 +/- 2.75   0.479% *  0.3216% (0.51   0.02   0.02) =   0.004%
          HG12  ILE  119 - HN    GLU-  14  24.59 +/- 3.25   0.218% *  0.4390% (0.69   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    GLU-  14  28.72 +/- 3.80   0.144% *  0.3972% (0.62   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    GLU-  14  30.09 +/- 3.40   0.121% *  0.2686% (0.42   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    GLU-  14  26.41 +/- 2.46   0.164% *  0.1104% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.88, residual support = 45.5:
      O   HB2   GLU-  14 - HN    GLU-  14   3.38 +/- 0.56  83.289% * 99.6047% (0.70  10.0   3.88  45.49) =  99.981%  kept
          HG2   MET   11 - HN    GLU-  14   8.23 +/- 1.86  14.457% *  0.0998% (0.70   1.0   0.02   0.02) =   0.017%
          HB2   PRO   68 - HN    GLU-  14  15.85 +/- 2.39   1.154% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  24.13 +/- 3.17   0.326% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  29.92 +/- 4.07   0.157% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  27.10 +/- 3.51   0.210% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  26.43 +/- 4.61   0.272% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  31.25 +/- 3.00   0.135% *  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 = 3.88, residual support = 45.5:
      O   HB3   GLU-  14 - HN    GLU-  14   3.40 +/- 0.26  85.359% * 99.6986% (0.62  10.0   3.88  45.49) =  99.986%  kept
          HG3   MET   11 - HN    GLU-  14   8.54 +/- 1.88  13.242% *  0.0807% (0.51   1.0   0.02   0.02) =   0.013%
          HB2   LEU   40 - HN    GLU-  14  17.58 +/- 3.35   0.781% *  0.0850% (0.53   1.0   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    GLU-  14  24.44 +/- 3.50   0.265% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  25.91 +/- 4.93   0.352% *  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 = 85.3:
          QG    GLN   17 - HN    GLN   17   3.31 +/- 0.73  87.039% * 98.8360% (1.00   5.61  85.28) =  99.963%  kept
          HB    VAL   70 - HN    GLN   17  10.01 +/- 3.11   6.648% *  0.3464% (0.98   0.02   0.02) =   0.027%
          HB2   GLU-  25 - HN    GLN   17  18.56 +/- 2.31   0.962% *  0.3502% (0.99   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HN    GLN   17  15.02 +/- 4.10   2.821% *  0.0983% (0.28   0.02   0.02) =   0.003%
          HB2   MET   96 - HN    GLN   17  18.59 +/- 3.81   0.799% *  0.2286% (0.65   0.02   0.02) =   0.002%
          HG2   GLU- 100 - HN    GLN   17  19.33 +/- 4.56   0.844% *  0.0787% (0.22   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HN    GLN   17  17.98 +/- 4.00   0.888% *  0.0619% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.43, residual support = 81.6:
      O   HB2   GLN   17 - HN    GLN   17   3.21 +/- 0.55  57.219% * 90.2328% (0.92  10.0   5.61  85.28) =  95.633%  kept
          QB    GLU-  15 - HN    GLN   17   4.32 +/- 0.51  29.242% *  7.6943% (0.92   1.0   1.71   0.02) =   4.167%  kept
          HB    ILE   19 - HN    GLN   17   7.35 +/- 0.73   6.270% *  1.6577% (0.80   1.0   0.42   0.02) =   0.193%  kept
          HB3   PRO   68 - HN    GLN   17  11.19 +/- 3.16   2.688% *  0.0553% (0.57   1.0   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLN   17  11.92 +/- 2.48   1.551% *  0.0710% (0.73   1.0   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    GLN   17  11.00 +/- 2.21   2.169% *  0.0218% (0.22   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLN   17  19.30 +/- 2.30   0.426% *  0.0975% (1.00   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLN   17  22.35 +/- 2.91   0.227% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  26.53 +/- 3.79   0.208% *  0.0848% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.27, residual support = 85.3:
      O   HB3   GLN   17 - HN    GLN   17   3.08 +/- 0.45  72.584% * 99.6298% (0.98  10.0   5.27  85.28) =  99.974%  kept
          HB2   LEU   71 - HN    GLN   17   9.08 +/- 4.96  15.766% *  0.0777% (0.76   1.0   0.02   0.02) =   0.017%
          QB    LYS+  65 - HN    GLN   17   9.73 +/- 3.37   7.045% *  0.0738% (0.73   1.0   0.02   0.02) =   0.007%
          QB    LYS+  66 - HN    GLN   17  11.00 +/- 2.19   2.569% *  0.0178% (0.18   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    GLN   17  20.30 +/- 3.95   0.517% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  17.24 +/- 3.81   0.634% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  18.93 +/- 2.94   0.464% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  24.08 +/- 3.91   0.230% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  24.53 +/- 4.07   0.192% *  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 = 0.975, support = 2.21, residual support = 8.92:
          QB    GLU-  15 - HN    GLY   16   2.87 +/- 0.78  67.552% * 39.3671% (0.98   1.94   5.39) =  71.123%  kept
          HB2   GLN   17 - HN    GLY   16   5.48 +/- 0.63  18.430% * 58.4351% (0.98   2.88  17.66) =  28.803%  kept
          HB    ILE   19 - HN    GLY   16   8.42 +/- 0.75   3.484% *  0.2295% (0.55   0.02   0.02) =   0.021%
          HB3   PRO   68 - HN    GLY   16  11.67 +/- 3.15   2.030% *  0.3246% (0.78   0.02   0.02) =   0.018%
          HG3   GLN   30 - HN    GLY   16  11.28 +/- 2.41   3.333% *  0.1667% (0.40   0.02   0.02) =   0.015%
          HG2   PRO   68 - HN    GLY   16  12.38 +/- 2.44   1.440% *  0.1973% (0.47   0.02   0.02) =   0.008%
          HB2   GLN   30 - HN    GLY   16  11.33 +/- 2.37   2.197% *  0.0710% (0.17   0.02   0.02) =   0.004%
          HB3   GLU-  25 - HN    GLY   16  19.97 +/- 2.29   0.302% *  0.3835% (0.92   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    GLY   16  23.20 +/- 3.20   0.266% *  0.2622% (0.63   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    GLY   16  27.66 +/- 3.99   0.159% *  0.4018% (0.97   0.02   0.02) =   0.002%
          HB3   GLU- 100 - HN    GLY   16  19.15 +/- 5.33   0.501% *  0.0903% (0.22   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    GLY   16  21.03 +/- 3.69   0.307% *  0.0710% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.8, residual support = 50.2:
          QG    GLN   17 - HN    VAL   18   2.92 +/- 0.57  86.746% * 98.7502% (0.70   5.81  50.22) =  99.963%  kept
          HB    VAL   70 - HN    VAL   18   8.89 +/- 3.32   5.057% *  0.3031% (0.62   0.02   0.02) =   0.018%
          HB2   LYS+  38 - HN    VAL   18  17.37 +/- 3.30   1.925% *  0.3218% (0.66   0.02   0.02) =   0.007%
          HG3   GLU-  29 - HN    VAL   18  17.03 +/- 3.15   4.601% *  0.1168% (0.24   0.02   0.02) =   0.006%
          HB2   GLU-  25 - HN    VAL   18  17.91 +/- 2.16   0.932% *  0.3913% (0.81   0.02   0.02) =   0.004%
          HB2   MET   96 - HN    VAL   18  16.83 +/- 3.74   0.738% *  0.1168% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 4.98, residual support = 76.2:
      O   HB    VAL   18 - HN    VAL   18   2.61 +/- 0.39  72.345% * 94.1567% (0.70  10.0   4.98  76.44) =  99.624%  kept
          HB    ILE   19 - HN    VAL   18   6.95 +/- 0.30   4.321% *  5.3614% (0.21   1.0   3.71  21.16) =   0.339%  kept
          HB2   LEU   67 - HN    VAL   18   8.21 +/- 4.60  18.003% *  0.1227% (0.91   1.0   0.02   0.02) =   0.032%
          HB3   ARG+  54 - HN    VAL   18  18.05 +/- 5.07   2.101% *  0.0581% (0.43   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    VAL   18  11.10 +/- 3.35   2.195% *  0.0361% (0.27   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    VAL   18  16.70 +/- 2.86   0.470% *  0.1197% (0.89   1.0   0.02   0.02) =   0.001%
          HB2   LEU  115 - HN    VAL   18  18.17 +/- 2.87   0.326% *  0.1227% (0.91   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    VAL   18  19.99 +/- 2.64   0.238% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.358, support = 5.18, residual support = 47.4:
          HB3   GLN   17 - HN    VAL   18   3.24 +/- 0.69  64.366% * 82.1014% (0.33   5.47  50.22) =  94.410%  kept
          QB    LYS+  65 - HN    VAL   18   6.98 +/- 3.43  22.978% * 13.2398% (0.87   0.34   0.02) =   5.435%  kept
          HB2   LEU   71 - HN    VAL   18  10.06 +/- 3.60   4.778% *  0.7637% (0.84   0.02   0.02) =   0.065%
          QB    LYS+  66 - HN    VAL   18   8.96 +/- 2.56   4.290% *  0.7354% (0.81   0.02   0.02) =   0.056%
          HB    VAL   41 - HN    VAL   18  14.03 +/- 3.66   1.500% *  0.5696% (0.62   0.02   0.02) =   0.015%
          HG2   PRO   93 - HN    VAL   18  20.75 +/- 4.24   0.413% *  0.8727% (0.96   0.02   0.02) =   0.006%
          QB    LYS+ 102 - HN    VAL   18  20.33 +/- 3.21   0.339% *  0.8497% (0.93   0.02   0.02) =   0.005%
          HG12  ILE  103 - HN    VAL   18  19.52 +/- 3.23   0.385% *  0.4286% (0.47   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    VAL   18  18.88 +/- 4.41   0.643% *  0.2195% (0.24   0.02   0.02) =   0.003%
          HB3   PRO   52 - HN    VAL   18  21.42 +/- 3.62   0.308% *  0.2195% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.895, support = 5.16, residual support = 74.0:
          QG2   VAL   18 - HN    VAL   18   2.31 +/- 0.70  80.334% * 72.0616% (0.91   5.23  76.44) =  95.572%  kept
          QD1   ILE   19 - HN    VAL   18   5.66 +/- 0.93   9.938% * 26.8354% (0.51   3.50  21.16) =   4.403%  kept
          QG2   THR   46 - HN    VAL   18  12.36 +/- 3.87   1.635% *  0.2525% (0.84   0.02   0.02) =   0.007%
          QG1   VAL   43 - HN    VAL   18  12.90 +/- 3.56   1.183% *  0.2905% (0.96   0.02   0.02) =   0.006%
          QD2   LEU   73 - HN    VAL   18   8.10 +/- 2.91   4.622% *  0.0726% (0.24   0.02   0.81) =   0.006%
          QG1   VAL   41 - HN    VAL   18  11.75 +/- 2.99   1.162% *  0.2688% (0.89   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    VAL   18  16.34 +/- 2.82   0.564% *  0.1093% (0.36   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   18  14.32 +/- 1.55   0.562% *  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 = 2.25, residual support = 9.19:
          QB    ALA   64 - HN    VAL   18   5.40 +/- 3.10  88.120% * 99.8613% (0.84   2.25   9.19) =  99.981%  kept
          QD1   LEU  115 - HN    VAL   18  14.35 +/- 2.59  11.880% *  0.1387% (0.13   0.02   0.02) =   0.019%
    Distance limit 4.38 A violated in 6 structures by 1.33 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.41, support = 4.06, residual support = 19.3:
          HN    PHE   59 - HN    PHE   60   2.73 +/- 0.22  56.806% * 55.7306% (0.44   4.32  20.02) =  86.920%  kept
          QE    PHE   59 - HN    THR  118   4.06 +/- 0.71  22.149% * 12.8208% (0.16   2.74  12.62) =   7.797%  kept
          QE    PHE   59 - HN    PHE   60   5.78 +/- 0.92   9.571% * 15.2866% (0.28   1.85  20.02) =   4.017%  kept
          HN    HIS  122 - HN    THR  118   6.95 +/- 0.20   3.602% * 10.4757% (0.21   1.70   4.31) =   1.036%  kept
          HN    PHE   59 - HN    THR  118   8.69 +/- 1.15   2.399% *  3.1785% (0.25   0.44  12.62) =   0.209%  kept
          HN    HIS  122 - HN    PHE   60  11.43 +/- 0.93   0.894% *  0.2186% (0.37   0.02   0.02) =   0.005%
          HN    PHE   59 - HN    GLU-  15  20.90 +/- 2.91   0.202% *  0.5534% (0.95   0.02   0.02) =   0.003%
          HN    LYS+  66 - HN    PHE   60   8.88 +/- 0.90   1.831% *  0.0478% (0.08   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    GLU-  15  13.95 +/- 2.43   0.752% *  0.1025% (0.18   0.02   0.02) =   0.002%
          QE    PHE   59 - HN    GLU-  15  19.76 +/- 2.50   0.196% *  0.3548% (0.61   0.02   0.02) =   0.002%
          HN    HIS  122 - HN    GLU-  15  23.15 +/- 4.05   0.130% *  0.4685% (0.80   0.02   0.02) =   0.002%
          HH2   TRP   87 - HN    GLU-  15  23.56 +/- 4.95   0.122% *  0.4248% (0.73   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    PHE   60  18.26 +/- 2.46   0.256% *  0.1983% (0.34   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    THR  118  13.74 +/- 2.47   0.892% *  0.0270% (0.05   0.02   0.02) =   0.001%
          HH2   TRP   87 - HN    THR  118  18.97 +/- 2.23   0.199% *  0.1120% (0.19   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.25, residual support = 41.5:
          HN    ALA   61 - HN    PHE   60   2.82 +/- 0.22  89.770% * 95.0048% (0.47   5.26  41.47) =  99.970%  kept
          HN    ALA   61 - HN    GLU-  15  17.56 +/- 3.17   0.652% *  0.7747% (1.00   0.02   0.02) =   0.006%
          HN    THR   39 - HN    GLU-  15  13.28 +/- 4.38   3.264% *  0.1533% (0.20   0.02   0.02) =   0.006%
          HN    TRP   27 - HN    GLU-  15  15.83 +/- 2.37   0.619% *  0.5921% (0.76   0.02   0.02) =   0.004%
          HN    ALA   61 - HN    THR  118  11.57 +/- 1.21   1.521% *  0.2043% (0.26   0.02   0.02) =   0.004%
          HN    ALA   91 - HN    PHE   60  17.33 +/- 2.56   0.492% *  0.3584% (0.46   0.02   0.02) =   0.002%
          HE3   TRP   87 - HN    PHE   60  18.21 +/- 2.99   0.548% *  0.3136% (0.40   0.02   0.02) =   0.002%
          HN    TRP   27 - HN    PHE   60  18.64 +/- 2.74   0.384% *  0.2763% (0.36   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    GLU-  15  26.23 +/- 4.15   0.145% *  0.6720% (0.87   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    THR  118  17.75 +/- 1.68   0.431% *  0.2025% (0.26   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    THR  118  18.21 +/- 2.10   0.400% *  0.1772% (0.23   0.02   0.02) =   0.001%
          HN    ALA   91 - HN    GLU-  15  29.71 +/- 3.36   0.087% *  0.7678% (0.99   0.02   0.02) =   0.001%
          HD1   TRP   87 - HN    PHE   60  17.70 +/- 2.06   0.463% *  0.0633% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  24.00 +/- 3.08   0.180% *  0.1561% (0.20   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  19.76 +/- 2.75   0.340% *  0.0716% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  25.40 +/- 4.05   0.155% *  0.1357% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  19.09 +/- 1.56   0.321% *  0.0358% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.29 +/- 3.43   0.228% *  0.0404% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.92, residual support = 72.4:
      O   HB3   PHE   60 - HN    PHE   60   2.50 +/- 0.56  87.463% * 98.9222% (0.47  10.0   4.92  72.44) =  99.991%  kept
          HB3   PHE   60 - HN    THR  118  11.04 +/- 1.91   2.309% *  0.0559% (0.26   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    PHE   60  13.17 +/- 2.84   2.108% *  0.0520% (0.25   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    THR  118  12.49 +/- 3.14   1.396% *  0.0529% (0.25   1.0   0.02   3.13) =   0.001%
          HB2   ASN   35 - HN    GLU-  15  17.43 +/- 4.54   1.327% *  0.0529% (0.25   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    GLU-  15  15.13 +/- 1.97   0.673% *  0.1032% (0.49   1.0   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    GLU-  15  18.69 +/- 2.71   0.307% *  0.2120% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HN    THR  118  11.17 +/- 2.94   2.045% *  0.0294% (0.14   1.0   0.02   2.01) =   0.001%
          QE    LYS+ 106 - HN    PHE   60  15.72 +/- 1.83   0.543% *  0.0936% (0.44   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HN    PHE   60  15.95 +/- 2.62   0.774% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  24.51 +/- 2.89   0.160% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  22.06 +/- 2.62   0.206% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.16 +/- 3.07   0.405% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.91 +/- 2.74   0.151% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  26.10 +/- 3.29   0.131% *  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 = 4.02, residual support = 20.0:
          HB3   PHE   59 - HN    PHE   60   3.20 +/- 0.63  83.327% * 96.9834% (0.39   4.03  20.02) =  99.936%  kept
          HB3   PHE   59 - HN    THR  118   7.20 +/- 1.17  14.425% *  0.2722% (0.22   0.02  12.62) =   0.049%
          HB3   TRP   49 - HN    PHE   60  15.39 +/- 2.41   1.033% *  0.4618% (0.37   0.02   0.02) =   0.006%
          HB3   PHE   59 - HN    GLU-  15  21.04 +/- 2.47   0.442% *  1.0321% (0.84   0.02   0.02) =   0.006%
          HB3   TRP   49 - HN    GLU-  15  27.49 +/- 6.21   0.206% *  0.9895% (0.80   0.02   0.02) =   0.003%
          HB3   TRP   49 - HN    THR  118  20.06 +/- 2.95   0.566% *  0.2610% (0.21   0.02   0.02) =   0.002%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.73, residual support = 5.1:
        T HN    SER  117 - HN    THR  118   2.65 +/- 0.16  96.782% * 97.7507% (0.17 10.00   2.74   5.11) =  99.958%  kept
        T HN    SER  117 - HN    PHE   60  10.07 +/- 1.29   2.183% *  1.7701% (0.30 10.00   0.02   0.02) =   0.041%
          HN    GLY   16 - HN    PHE   60  17.31 +/- 2.62   0.518% *  0.1969% (0.34  1.00   0.02   0.02) =   0.001%
          HN    SER   82 - HN    PHE   60  21.62 +/- 2.12   0.197% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  22.56 +/- 3.24   0.190% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  24.80 +/- 1.82   0.131% *  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 = 0.132, support = 4.58, residual support = 41.3:
          QG2   THR  118 - HN    THR  118   3.49 +/- 0.16  86.459% * 84.5613% (0.13   4.70  42.50) =  97.220%  kept
          QG2   THR  118 - HN    PHE   60   7.41 +/- 1.44  13.541% * 15.4387% (0.23   0.47   0.02) =   2.780%  kept
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.159, support = 4.49, residual support = 61.1:
      O   HA    PHE   60 - HN    PHE   60   2.77 +/- 0.09  22.730% * 78.5002% (0.22  10.0   4.92  72.44) =  63.725%  kept
      O   HB    THR  118 - HN    THR  118   2.08 +/- 0.11  52.493% * 18.6315% (0.05  10.0   3.78  42.50) =  34.929%  kept
          QB    SER  117 - HN    THR  118   2.82 +/- 0.21  22.557% *  1.6116% (0.03   1.0   3.12   5.11) =   1.298%  kept
          HB    THR  118 - HN    PHE   60   8.76 +/- 1.36   1.093% *  1.1946% (0.09   1.0   0.71   0.02) =   0.047%
          HA    PHE   60 - HN    THR  118   9.93 +/- 1.70   0.672% *  0.0433% (0.12   1.0   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   60  10.71 +/- 1.23   0.455% *  0.0187% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 4.68, residual support = 43.2:
      O   HA    THR  118 - HN    THR  118   2.83 +/- 0.04  63.023% * 70.8155% (0.14  10.0   4.66  42.50) =  93.678%  kept
          HA    ILE  119 - HN    THR  118   5.08 +/- 0.12  11.135% * 22.9831% (0.17   1.0   5.53  62.66) =   5.372%  kept
          HD3   PRO   58 - HN    PHE   60   4.86 +/- 0.64  14.871% *  2.5266% (0.06   1.0   1.72   0.02) =   0.789%  kept
          HA    ILE  119 - HN    PHE   60   8.31 +/- 0.67   2.683% *  2.4018% (0.30   1.0   0.32   0.02) =   0.135%  kept
          HA    THR  118 - HN    PHE   60  10.98 +/- 1.21   1.338% *  0.6562% (0.26   1.0   0.10   0.02) =   0.018%
          HB2   TRP   49 - HN    PHE   60  14.80 +/- 2.52   0.738% *  0.1402% (0.28   1.0   0.02   0.02) =   0.002%
          HA2   GLY  109 - HN    THR  118  11.28 +/- 2.97   2.371% *  0.0415% (0.08   1.0   0.02   0.02) =   0.002%
          HA    VAL   75 - HN    PHE   60  13.13 +/- 2.17   0.940% *  0.0630% (0.13   1.0   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    PHE   60  15.81 +/- 1.79   0.416% *  0.0752% (0.15   1.0   0.02   0.02) =   0.001%
          HA    ALA   84 - HN    PHE   60  18.26 +/- 2.04   0.262% *  0.1086% (0.22   1.0   0.02   0.02) =   0.001%
          HD3   PRO   58 - HN    THR  118  10.53 +/- 1.26   1.523% *  0.0162% (0.03   1.0   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    THR  118  19.62 +/- 2.68   0.235% *  0.0774% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  20.25 +/- 2.10   0.185% *  0.0599% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  18.25 +/- 2.14   0.280% *  0.0348% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.02, residual support = 20.0:
      O   HA    PHE   59 - HN    PHE   60   3.54 +/- 0.12  56.192% * 99.4803% (0.99  10.0   4.02  20.02) =  99.970%  kept
          HA    PHE   59 - HN    THR  118   7.97 +/- 1.36   8.942% *  0.0802% (0.80   1.0   0.02  12.62) =   0.013%
          HA    ASP- 113 - HN    THR  118   7.19 +/- 0.41   6.943% *  0.0487% (0.48   1.0   0.02   0.02) =   0.006%
          HA    ILE   56 - HN    PHE   60   6.17 +/- 1.00  15.246% *  0.0154% (0.15   1.0   0.02   4.45) =   0.004%
          HA    ASP- 113 - HN    PHE   60  10.23 +/- 2.25   3.736% *  0.0605% (0.60   1.0   0.02   0.02) =   0.004%
          HA    LYS+  99 - HN    PHE   60  17.72 +/- 3.48   1.203% *  0.0277% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ILE   56 - HN    THR  118  10.68 +/- 1.23   2.359% *  0.0124% (0.12   1.0   0.02   0.02) =   0.001%
          HA    TRP   87 - HN    PHE   60  19.91 +/- 2.80   0.379% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  19.71 +/- 2.53   0.455% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  19.98 +/- 2.19   0.356% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  16.21 +/- 4.42   2.055% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  17.71 +/- 2.86   0.560% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  19.53 +/- 4.08   0.552% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  22.34 +/- 2.77   0.262% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  27.60 +/- 3.68   0.166% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  24.52 +/- 3.30   0.217% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  28.34 +/- 3.75   0.121% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  24.11 +/- 3.24   0.256% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.925, support = 4.82, residual support = 68.9:
      O   HA    PHE   60 - HN    PHE   60   2.77 +/- 0.09  47.244% * 94.2129% (0.96  10.0   4.92  72.44) =  94.743%  kept
          QB    SER  117 - HN    THR  118   2.82 +/- 0.21  44.878% *  5.4979% (0.36   1.0   3.12   5.11) =   5.252%  kept
          HA    PHE   60 - HN    THR  118   9.93 +/- 1.70   1.522% *  0.0759% (0.77   1.0   0.02   0.02) =   0.002%
          QB    SER  117 - HN    PHE   60  10.71 +/- 1.23   0.988% *  0.0438% (0.44   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    THR  118   7.42 +/- 0.42   2.593% *  0.0138% (0.14   1.0   0.02   7.13) =   0.001%
          HA2   GLY   51 - HN    PHE   60  12.94 +/- 1.28   0.502% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  18.10 +/- 2.53   0.256% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  12.74 +/- 2.30   0.676% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  13.91 +/- 0.90   0.399% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.64 +/- 1.17   0.430% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  18.51 +/- 2.07   0.172% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.72 +/- 2.97   0.082% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  26.85 +/- 5.37   0.108% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  25.66 +/- 4.05   0.078% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.90 +/- 3.29   0.073% *  0.0053% (0.05   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 = 0.566, support = 4.14, residual support = 37.6:
          HG12  ILE  119 - HN    THR  118   4.12 +/- 0.47  18.159% * 55.4960% (0.72   5.43  62.66) =  56.100%  kept
          QG    GLU-  15 - HN    GLU-  15   3.43 +/- 0.73  31.415% * 11.8614% (0.32   2.63  10.04) =  20.743%  kept
          QG    GLU-  14 - HN    GLU-  15   3.73 +/- 0.67  25.840% * 13.9869% (0.36   2.69   1.58) =  20.120%  kept
          HG12  ILE  119 - HN    PHE   60   7.01 +/- 0.86   4.010% *  5.9224% (0.89   0.47   0.02) =   1.322%  kept
          HB2   ASP-  44 - HN    PHE   60   8.41 +/- 1.94   4.031% *  3.3767% (0.89   0.27   1.80) =   0.758%  kept
          HB3   PHE   72 - HN    PHE   60  10.64 +/- 3.01   2.400% *  5.1143% (0.96   0.37   7.97) =   0.683%  kept
          HB2   ASP- 105 - HN    THR  118   9.49 +/- 3.67   3.082% *  1.1574% (0.11   0.75   4.21) =   0.199%  kept
          HB3   PHE   72 - HN    THR  118  15.10 +/- 3.99   1.876% *  0.2201% (0.77   0.02   0.02) =   0.023%
          HB2   ASP-  44 - HN    THR  118  12.72 +/- 2.35   0.818% *  0.2045% (0.72   0.02   0.02) =   0.009%
          QB    MET   11 - HN    GLU-  15   9.36 +/- 1.84   2.841% *  0.0384% (0.13   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    GLU-  15  12.75 +/- 2.79   0.754% *  0.1086% (0.38   0.02   0.02) =   0.005%
          HG3   MET   92 - HN    PHE   60  15.01 +/- 3.63   0.670% *  0.1163% (0.41   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    PHE   60  17.75 +/- 2.51   0.278% *  0.2805% (0.98   0.02   0.02) =   0.004%
          QG    GLU-  14 - HN    PHE   60  18.47 +/- 3.49   0.244% *  0.2612% (0.91   0.02   0.02) =   0.004%
          QG    GLN   90 - HN    THR  118  18.40 +/- 2.34   0.262% *  0.2260% (0.79   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    PHE   60  17.33 +/- 1.99   0.252% *  0.2266% (0.79   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HN    GLU-  15  15.65 +/- 3.64   0.802% *  0.0592% (0.21   0.02   0.02) =   0.003%
          HG3   MET   92 - HN    THR  118  17.22 +/- 2.26   0.364% *  0.0938% (0.33   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    PHE   60  13.67 +/- 2.55   0.707% *  0.0383% (0.13   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLU-  15  17.82 +/- 3.30   0.259% *  0.1009% (0.35   0.02   0.02) =   0.001%
          QG    GLU-  15 - HN    THR  118  21.94 +/- 2.88   0.125% *  0.1826% (0.64   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    THR  118  24.00 +/- 3.76   0.094% *  0.2105% (0.74   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    PHE   60  22.50 +/- 2.65   0.123% *  0.1489% (0.52   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   60  23.24 +/- 3.68   0.127% *  0.0965% (0.34   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    GLU-  15  22.54 +/- 3.20   0.114% *  0.1009% (0.35   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR  118  27.33 +/- 3.64   0.079% *  0.1200% (0.42   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    GLU-  15  27.40 +/- 3.78   0.067% *  0.1115% (0.39   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  28.61 +/- 3.89   0.062% *  0.0778% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  28.50 +/- 3.58   0.059% *  0.0463% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  24.32 +/- 2.19   0.088% *  0.0152% (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 = 0.158, support = 1.66, residual support = 8.42:
      O   QB    GLU-  15 - HN    GLU-  15   2.93 +/- 0.37  44.671% * 41.3847% (0.06  10.0   1.81  10.04) =  83.787%  kept
          QB    GLU- 114 - HN    THR  118   5.72 +/- 0.98   9.022% * 19.6597% (0.48   1.0   1.08   0.10) =   8.039%  kept
          HG3   PRO   58 - HN    PHE   60   6.36 +/- 0.42   5.026% * 29.8751% (0.89   1.0   0.89   0.02) =   6.806%  kept
          HB2   LEU  115 - HN    THR  118   5.37 +/- 0.57  10.043% *  1.9761% (0.69   1.0   0.08   0.16) =   0.900%  kept
          HB2   GLN   17 - HN    GLU-  15   5.61 +/- 1.47  12.391% *  0.2907% (0.06   1.0   0.13   0.02) =   0.163%  kept
          HB2   LEU  115 - HN    PHE   60   7.91 +/- 1.47   3.434% *  0.6474% (0.86   1.0   0.02   0.02) =   0.101%  kept
          HG3   PRO   58 - HN    THR  118  11.05 +/- 2.19   1.796% *  0.5394% (0.72   1.0   0.02   0.02) =   0.044%
          HB    ILE   19 - HN    GLU-  15   8.87 +/- 1.50   2.419% *  0.2039% (0.27   1.0   0.02   0.02) =   0.022%
          HG2   PRO   68 - HN    PHE   60  13.13 +/- 2.52   0.839% *  0.5704% (0.76   1.0   0.02   0.02) =   0.022%
          QB    GLU- 114 - HN    PHE   60  10.99 +/- 1.46   0.987% *  0.4527% (0.60   1.0   0.02   0.02) =   0.020%
          HB    ILE   19 - HN    PHE   60  15.06 +/- 2.58   0.711% *  0.5127% (0.68   1.0   0.02   0.02) =   0.017%
          HG2   PRO   68 - HN    THR  118  15.46 +/- 3.66   0.662% *  0.4597% (0.61   1.0   0.02   0.02) =   0.014%
          HB2   LEU   67 - HN    PHE   60  11.96 +/- 1.95   0.829% *  0.3633% (0.48   1.0   0.02   0.02) =   0.014%
          HB    VAL   18 - HN    PHE   60  11.47 +/- 2.64   1.230% *  0.1861% (0.25   1.0   0.02   0.45) =   0.010%
          HB2   LEU   67 - HN    THR  118  15.34 +/- 4.07   0.712% *  0.2928% (0.39   1.0   0.02   0.02) =   0.009%
          HB2   LEU   67 - HN    GLU-  15  12.93 +/- 3.39   0.809% *  0.1445% (0.19   1.0   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    GLU-  15  14.90 +/- 1.85   0.455% *  0.2268% (0.30   1.0   0.02   0.02) =   0.005%
          HB2   GLN   17 - HN    PHE   60  15.24 +/- 2.96   0.866% *  0.1152% (0.15   1.0   0.02   0.02) =   0.005%
          HB    VAL   18 - HN    GLU-  15  10.04 +/- 0.83   1.309% *  0.0740% (0.10   1.0   0.02   0.02) =   0.004%
          HG3   PRO   58 - HN    GLU-  15  22.61 +/- 3.72   0.241% *  0.2662% (0.35   1.0   0.02   0.02) =   0.003%
          HB    ILE   19 - HN    THR  118  21.34 +/- 3.27   0.154% *  0.4132% (0.55   1.0   0.02   0.02) =   0.003%
          HB    VAL   18 - HN    THR  118  17.73 +/- 2.58   0.259% *  0.1500% (0.20   1.0   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    PHE   60  17.93 +/- 2.35   0.308% *  0.1152% (0.15   1.0   0.02   0.02) =   0.002%
          HB2   LEU  115 - HN    GLU-  15  24.42 +/- 2.96   0.104% *  0.2575% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    PHE   60  23.33 +/- 2.85   0.107% *  0.2075% (0.28   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    GLU-  15  25.39 +/- 3.20   0.088% *  0.1800% (0.24   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    GLU-  15  19.82 +/- 3.07   0.191% *  0.0825% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    THR  118  21.53 +/- 3.26   0.160% *  0.0928% (0.12   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    THR  118  22.59 +/- 3.14   0.121% *  0.0928% (0.12   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    THR  118  28.62 +/- 2.93   0.056% *  0.1672% (0.22   1.0   0.02   0.02) =   0.000%
    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 = 0.101, support = 2.08, residual support = 4.31:
          QG1   ILE   56 - HN    PHE   60   3.63 +/- 1.09  45.871% * 44.8204% (0.09   2.15   4.45) =  96.594%  kept
          HB2   LEU   73 - HN    PHE   60  12.83 +/- 3.17   5.555% *  2.0287% (0.45   0.02   1.29) =   0.529%  kept
          HG3   PRO   93 - HN    PHE   60  11.66 +/- 3.95   5.114% *  1.6065% (0.36   0.02   0.02) =   0.386%  kept
          HB2   LEU   73 - HN    GLU-  15  13.72 +/- 3.81   1.687% *  4.3468% (0.97   0.02   0.02) =   0.344%  kept
          HB2   LEU  123 - HN    THR  118   8.90 +/- 0.36   4.687% *  0.9512% (0.21   0.02   0.02) =   0.209%  kept
          HB3   MET   92 - HN    PHE   60  13.71 +/- 3.34   1.994% *  2.1021% (0.47   0.02   0.02) =   0.197%  kept
          QD    LYS+  99 - HN    GLU-  15  18.16 +/- 3.31   0.877% *  3.6067% (0.80   0.02   0.02) =   0.149%  kept
          QD    LYS+  38 - HN    GLU-  15  15.51 +/- 4.47   3.148% *  1.0028% (0.22   0.02   0.02) =   0.148%  kept
          HB2   LEU   73 - HN    THR  118  18.50 +/- 4.10   2.386% *  1.1464% (0.25   0.02   0.02) =   0.129%  kept
          QD    LYS+ 106 - HN    THR  118  11.99 +/- 2.77   2.705% *  0.9922% (0.22   0.02   3.13) =   0.126%  kept
          QG1   ILE   56 - HN    THR  118   7.69 +/- 0.99  11.279% *  0.2351% (0.05   0.02   0.02) =   0.125%  kept
          HB2   LEU  123 - HN    PHE   60  13.20 +/- 1.01   1.501% *  1.6833% (0.37   0.02   0.02) =   0.119%  kept
          HD2   LYS+ 111 - HN    PHE   60  15.33 +/- 1.94   1.192% *  2.0605% (0.46   0.02   0.02) =   0.115%  kept
          HD2   LYS+ 111 - HN    THR  118  12.21 +/- 1.17   1.925% *  1.1644% (0.26   0.02   0.02) =   0.105%  kept
          QD    LYS+  99 - HN    PHE   60  16.40 +/- 3.89   1.036% *  1.6833% (0.37   0.02   0.02) =   0.082%
          QD    LYS+ 106 - HN    PHE   60  15.15 +/- 1.76   0.969% *  1.7559% (0.39   0.02   0.02) =   0.080%
          QD    LYS+ 102 - HN    GLU-  15  23.21 +/- 4.45   0.610% *  2.5501% (0.57   0.02   0.02) =   0.073%
          HG3   PRO   93 - HN    THR  118  13.33 +/- 1.71   1.655% *  0.9078% (0.20   0.02   0.02) =   0.071%
          QD    LYS+ 106 - HN    GLU-  15  24.37 +/- 2.74   0.385% *  3.7622% (0.84   0.02   0.02) =   0.068%
          HB2   LEU  123 - HN    GLU-  15  24.59 +/- 5.26   0.391% *  3.6067% (0.80   0.02   0.02) =   0.066%
          HB3   MET   92 - HN    THR  118  15.29 +/- 1.90   1.034% *  1.1879% (0.26   0.02   0.02) =   0.058%
          QD    LYS+  99 - HN    THR  118  15.88 +/- 2.82   1.074% *  0.9512% (0.21   0.02   0.02) =   0.048%
          HG3   PRO   93 - HN    GLU-  15  26.85 +/- 4.00   0.213% *  3.4422% (0.76   0.02   0.02) =   0.035%
          HD2   LYS+ 111 - HN    GLU-  15  31.30 +/- 4.43   0.165% *  4.4150% (0.98   0.02   0.02) =   0.034%
          HB3   MET   92 - HN    GLU-  15  27.72 +/- 3.34   0.161% *  4.5042% (1.00   0.02   0.02) =   0.034%
          QD    LYS+ 102 - HN    PHE   60  20.48 +/- 3.19   0.401% *  1.1901% (0.26   0.02   0.02) =   0.022%
          QG1   ILE   56 - HN    GLU-  15  20.36 +/- 2.68   0.445% *  0.8914% (0.20   0.02   0.02) =   0.019%
          QD    LYS+ 102 - HN    THR  118  18.97 +/- 3.03   0.560% *  0.6725% (0.15   0.02   0.02) =   0.018%
          QD    LYS+  38 - HN    PHE   60  20.59 +/- 3.35   0.514% *  0.4680% (0.10   0.02   0.02) =   0.011%
          QD    LYS+  38 - HN    THR  118  21.72 +/- 3.06   0.467% *  0.2645% (0.06   0.02   0.02) =   0.006%
    Distance limit 4.37 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.25, support = 2.62, residual support = 40.4:
          QB    ALA   61 - HN    PHE   60   4.37 +/- 0.23  30.850% * 72.7442% (0.25   2.69  41.47) =  97.476%  kept
          HG12  ILE   19 - HN    GLU-  15   7.90 +/- 2.08   9.348% *  1.8423% (0.84   0.02   0.02) =   0.748%  kept
          QB    ALA   12 - HN    GLU-  15   7.09 +/- 1.26  10.825% *  0.8278% (0.38   0.02   0.02) =   0.389%  kept
          HD3   LYS+ 121 - HN    THR  118   7.12 +/- 1.74  11.363% *  0.5370% (0.24   0.02   7.13) =   0.265%  kept
          QB    ALA   61 - HN    GLU-  15  13.67 +/- 3.21   2.943% *  1.1604% (0.53   0.02   0.02) =   0.148%  kept
          HB3   LYS+  74 - HN    GLU-  15  13.81 +/- 3.77   1.643% *  1.9781% (0.90   0.02   0.02) =   0.141%  kept
          HB3   LYS+  74 - HN    PHE   60  12.03 +/- 2.97   2.889% *  0.9232% (0.42   0.02   0.02) =   0.116%  kept
          QB    ALA  110 - HN    THR  118   9.93 +/- 1.71   3.863% *  0.4446% (0.20   0.02   0.02) =   0.075%
          QB    ALA  110 - HN    PHE   60  12.86 +/- 2.07   1.831% *  0.7867% (0.36   0.02   0.02) =   0.063%
          HD3   LYS+ 121 - HN    PHE   60  13.28 +/- 1.64   1.347% *  0.9502% (0.43   0.02   0.02) =   0.056%
          HB3   LEU   67 - HN    GLU-  15  13.34 +/- 3.17   1.464% *  0.8278% (0.38   0.02   0.02) =   0.053%
          QB    LEU   98 - HN    PHE   60  14.78 +/- 2.52   1.690% *  0.6659% (0.30   0.02   0.02) =   0.049%
          QB    LEU   98 - HN    GLU-  15  18.43 +/- 3.77   0.644% *  1.4268% (0.65   0.02   0.02) =   0.040%
          HB3   LEU   67 - HN    PHE   60  11.41 +/- 2.21   2.349% *  0.3863% (0.18   0.02   0.02) =   0.039%
          HG12  ILE   19 - HN    PHE   60  15.15 +/- 2.11   0.958% *  0.8598% (0.39   0.02   0.02) =   0.036%
          QG    LYS+  66 - HN    PHE   60   9.56 +/- 1.20   3.521% *  0.2292% (0.10   0.02   0.02) =   0.035%
          HB2   LEU   80 - HN    GLU-  15  22.02 +/- 5.30   0.337% *  2.1861% (0.99   0.02   0.02) =   0.032%
          HG    LEU   80 - HN    GLU-  15  20.85 +/- 5.44   0.418% *  1.6016% (0.73   0.02   0.02) =   0.029%
          QB    ALA   61 - HN    THR  118  11.25 +/- 1.19   2.173% *  0.3060% (0.14   0.02   0.02) =   0.029%
          QG    LYS+  66 - HN    GLU-  15  13.41 +/- 1.97   1.345% *  0.4911% (0.22   0.02   0.02) =   0.029%
          HB2   LEU   80 - HN    PHE   60  17.66 +/- 2.04   0.519% *  1.0203% (0.46   0.02   0.02) =   0.023%
          HG    LEU   80 - HN    PHE   60  17.68 +/- 2.56   0.552% *  0.7475% (0.34   0.02   0.02) =   0.018%
          HD3   LYS+ 121 - HN    GLU-  15  25.48 +/- 3.28   0.180% *  2.0361% (0.92   0.02   0.02) =   0.016%
          QB    LEU   98 - HN    THR  118  14.81 +/- 2.35   0.921% *  0.3763% (0.17   0.02   0.02) =   0.015%
          HB3   LEU   67 - HN    THR  118  15.01 +/- 3.95   1.582% *  0.2183% (0.10   0.02   0.02) =   0.015%
          HB3   LYS+  74 - HN    THR  118  18.63 +/- 3.45   0.587% *  0.5217% (0.24   0.02   0.02) =   0.013%
          QG    LYS+  66 - HN    THR  118  12.76 +/- 3.14   2.216% *  0.1295% (0.06   0.02   0.02) =   0.012%
          QB    ALA  110 - HN    GLU-  15  26.01 +/- 3.15   0.168% *  1.6856% (0.76   0.02   0.02) =   0.012%
          HB2   LEU   80 - HN    THR  118  21.46 +/- 2.36   0.311% *  0.5766% (0.26   0.02   0.02) =   0.008%
          HG12  ILE   19 - HN    THR  118  21.09 +/- 3.25   0.350% *  0.4859% (0.22   0.02   0.02) =   0.007%
          HG    LEU   80 - HN    THR  118  21.90 +/- 2.84   0.317% *  0.4224% (0.19   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    PHE   60  20.81 +/- 2.76   0.331% *  0.3863% (0.18   0.02   0.02) =   0.006%
          QB    ALA   12 - HN    THR  118  25.89 +/- 3.25   0.166% *  0.2183% (0.10   0.02   0.02) =   0.002%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.894, support = 3.68, residual support = 25.0:
      O   QB    ALA   34 - HN    ALA   34   2.03 +/- 0.08  82.989% * 97.8428% (0.89  10.0   3.68  25.04) =  99.897%  kept
          QG2   THR   77 - HN    LEU   80   5.73 +/- 1.33   5.288% *  1.4663% (0.20   1.0   1.35   0.59) =   0.095%
          QG2   THR   23 - HN    LEU   80  10.10 +/- 4.72   2.285% *  0.0969% (0.89   1.0   0.02   1.78) =   0.003%
          QG2   THR   39 - HN    ALA   34   6.03 +/- 1.22   5.449% *  0.0303% (0.28   1.0   0.02   7.67) =   0.002%
          QB    ALA   34 - HN    LEU   80  14.13 +/- 3.11   0.672% *  0.0876% (0.80   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ALA   34   9.51 +/- 0.79   0.948% *  0.0574% (0.52   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.65 +/- 1.00   0.375% *  0.1081% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.16 +/- 1.88   0.599% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  17.12 +/- 3.23   0.206% *  0.0710% (0.65   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.23 +/- 3.35   0.521% *  0.0243% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  15.88 +/- 2.78   0.415% *  0.0272% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.84 +/- 1.58   0.082% *  0.0792% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  24.23 +/- 4.22   0.099% *  0.0514% (0.47   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.69 +/- 1.23   0.072% *  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 = 0.56, support = 3.55, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.02  69.633% * 77.3179% (0.56  10.0   3.49  25.04) =  95.267%  kept
          HA    LYS+  81 - HN    LEU   80   4.73 +/- 0.49  14.835% * 16.5994% (0.47   1.0   5.16  39.16) =   4.357%  kept
          HA    GLU-  36 - HN    ALA   34   7.01 +/- 0.07   4.189% *  4.8510% (0.41   1.0   1.73   0.37) =   0.360%  kept
          HA    ASN   28 - HN    ALA   34   7.69 +/- 0.35   3.261% *  0.1044% (0.76   1.0   0.02   0.02) =   0.006%
          HA1   GLY  101 - HN    ALA   34  11.48 +/- 4.85   4.357% *  0.0513% (0.37   1.0   0.02   0.02) =   0.004%
          HA    ASN   28 - HN    LEU   80  12.17 +/- 4.06   1.132% *  0.0935% (0.68   1.0   0.02   1.70) =   0.002%
          HA    ALA  124 - HN    ALA   34  26.28 +/- 7.39   0.385% *  0.1261% (0.92   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  19.24 +/- 3.64   0.319% *  0.1199% (0.88   1.0   0.02   0.02) =   0.001%
          HA    ALA   34 - HN    LEU   80  18.55 +/- 3.43   0.440% *  0.0693% (0.51   1.0   0.02   0.02) =   0.001%
          HA    LYS+  81 - HN    ALA   34  20.23 +/- 3.78   0.261% *  0.0719% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.09 +/- 2.02   0.198% *  0.0888% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.88 +/- 2.45   0.141% *  0.0992% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.35 +/- 3.26   0.104% *  0.1339% (0.98   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.39 +/- 3.70   0.262% *  0.0459% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  23.38 +/- 3.97   0.215% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  30.64 +/- 3.08   0.055% *  0.1129% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.46 +/- 1.55   0.117% *  0.0305% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.56 +/- 2.85   0.094% *  0.0341% (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 = 0.959, support = 7.2, residual support = 39.1:
      O   HA    LYS+  33 - HN    ALA   34   3.55 +/- 0.03  40.331% * 88.1970% (0.99  10.0   7.38  41.26) =  94.682%  kept
          HA    GLN   32 - HN    ALA   34   4.25 +/- 0.27  24.188% *  7.0404% (0.34   1.0   4.64   0.70) =   4.533%  kept
          HA    GLU-  29 - HN    ALA   34   6.49 +/- 0.88   8.812% *  1.6315% (0.99   1.0   0.37   0.02) =   0.383%  kept
          HB2   SER   82 - HN    LEU   80   6.91 +/- 0.81   6.527% *  2.1977% (0.85   1.0   0.58   0.30) =   0.382%  kept
          HB2   SER   37 - HN    ALA   34   6.25 +/- 0.83   8.436% *  0.0156% (0.17   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    ALA   34  12.18 +/- 1.85   1.255% *  0.0872% (0.98   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    ALA   34  11.60 +/- 1.79   1.487% *  0.0713% (0.80   1.0   0.02   0.02) =   0.003%
          HA    SER   48 - HN    LEU   80  12.73 +/- 3.90   1.994% *  0.0483% (0.54   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    LEU   80  11.84 +/- 1.63   2.091% *  0.0299% (0.34   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    LEU   80  15.91 +/- 4.26   0.593% *  0.0790% (0.89   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    LEU   80  16.57 +/- 4.78   0.510% *  0.0781% (0.88   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  18.33 +/- 2.72   0.533% *  0.0638% (0.72   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  18.16 +/- 3.68   0.380% *  0.0842% (0.94   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  19.72 +/- 3.71   0.369% *  0.0790% (0.89   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    LEU   80  17.84 +/- 4.54   0.831% *  0.0272% (0.30   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    ALA   34  24.06 +/- 3.35   0.185% *  0.0713% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  21.93 +/- 2.44   0.194% *  0.0638% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.51 +/- 3.32   0.183% *  0.0540% (0.61   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  18.31 +/- 3.87   0.451% *  0.0158% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.29 +/- 2.19   0.173% *  0.0334% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  20.93 +/- 3.23   0.378% *  0.0140% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.63 +/- 2.60   0.098% *  0.0176% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.757, support = 5.6, residual support = 40.3:
          HG3   LYS+  33 - HN    ALA   34   2.93 +/- 0.63  58.302% * 83.4935% (0.76   5.71  41.26) =  97.590%  kept
          QB    ALA   84 - HN    LEU   80   5.54 +/- 0.69  11.146% * 10.2567% (0.54   0.99   0.02) =   2.292%  kept
          HB3   LEU   73 - HN    ALA   34  11.07 +/- 2.51   2.163% *  0.3431% (0.89   0.02   0.02) =   0.015%
          HG    LEU   98 - HN    LEU   80  16.49 +/- 3.56   3.162% *  0.1668% (0.44   0.02   0.02) =   0.011%
          HB    VAL   42 - HN    ALA   34  11.36 +/- 1.85   1.591% *  0.3195% (0.83   0.02   0.02) =   0.010%
          HG    LEU   98 - HN    ALA   34  11.50 +/- 3.07   2.218% *  0.1862% (0.49   0.02   0.02) =   0.008%
          HB3   LEU   73 - HN    LEU   80  11.58 +/- 1.62   1.247% *  0.3073% (0.80   0.02   0.02) =   0.008%
          HB    VAL   42 - HN    LEU   80  14.81 +/- 2.03   1.110% *  0.2862% (0.75   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HN    ALA   34  15.02 +/- 4.34   0.843% *  0.3531% (0.92   0.02   0.02) =   0.006%
          QB    ALA  124 - HN    ALA   34  22.26 +/- 6.78   1.965% *  0.1436% (0.37   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    LEU   80  17.66 +/- 2.65   0.744% *  0.3419% (0.89   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - HN    LEU   80  21.04 +/- 3.50   0.734% *  0.3163% (0.82   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    LEU   80  14.15 +/- 2.62   3.658% *  0.0600% (0.16   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    ALA   34  18.73 +/- 2.70   0.664% *  0.3195% (0.83   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    ALA   34  15.09 +/- 4.01   1.343% *  0.1436% (0.37   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LEU   80  14.43 +/- 2.12   0.698% *  0.2216% (0.58   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    ALA   34  10.20 +/- 2.88   2.282% *  0.0670% (0.17   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    ALA   34  18.05 +/- 1.92   0.355% *  0.3817% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    LEU   80  18.01 +/- 3.56   0.497% *  0.2618% (0.68   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    LEU   80  11.67 +/- 1.95   1.485% *  0.0854% (0.22   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    LEU   80  18.42 +/- 3.19   0.432% *  0.2862% (0.75   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    ALA   34  17.18 +/- 2.75   0.475% *  0.2320% (0.61   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HN    LEU   80  20.15 +/- 2.62   0.251% *  0.3307% (0.86   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    LEU   80  21.21 +/- 5.20   0.619% *  0.1286% (0.34   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ALA   34  16.05 +/- 1.30   0.570% *  0.0954% (0.25   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  25.71 +/- 3.14   0.142% *  0.3692% (0.96   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   34  23.13 +/- 2.16   0.180% *  0.2475% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ALA   34  17.47 +/- 2.35   0.627% *  0.0670% (0.17   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  17.37 +/- 2.34   0.384% *  0.0600% (0.16   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  26.00 +/- 2.87   0.115% *  0.1286% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.734, support = 5.35, residual support = 38.7:
          QB    LYS+  33 - HN    ALA   34   3.39 +/- 0.33  47.516% * 46.7563% (0.72   5.93  41.26) =  70.401%  kept
          QB    LYS+  81 - HN    LEU   80   4.73 +/- 0.69  20.627% * 37.6377% (0.78   4.46  39.16) =  24.602%  kept
          HB3   GLN   30 - HN    ALA   34   5.64 +/- 0.59  12.480% * 12.4306% (0.69   1.67   1.36) =   4.916%  kept
          HG3   PRO   68 - HN    ALA   34  16.65 +/- 4.00   7.274% *  0.1058% (0.49   0.02   0.02) =   0.024%
          HB3   LYS+  38 - HN    ALA   34   9.22 +/- 0.56   2.525% *  0.1885% (0.87   0.02   0.02) =   0.015%
          HB3   GLN   90 - HN    LEU   80  13.09 +/- 2.06   1.400% *  0.1559% (0.72   0.02   0.02) =   0.007%
          HB3   GLN   30 - HN    LEU   80  13.40 +/- 3.89   1.066% *  0.1337% (0.61   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    LEU   80  13.78 +/- 2.38   1.066% *  0.1024% (0.47   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU   80  15.83 +/- 1.84   0.536% *  0.1746% (0.80   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ALA   34  18.89 +/- 3.97   0.493% *  0.1885% (0.87   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  15.40 +/- 3.18   0.761% *  0.1143% (0.52   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA   34  17.20 +/- 1.71   0.431% *  0.1949% (0.89   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU   80  16.64 +/- 2.93   0.498% *  0.1413% (0.65   0.02   0.02) =   0.002%
          HB    ILE  103 - HN    LEU   80  17.93 +/- 3.03   0.545% *  0.1024% (0.47   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  20.55 +/- 3.23   0.294% *  0.1878% (0.86   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    LEU   80  23.38 +/- 4.37   0.297% *  0.1688% (0.78   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.56 +/- 1.69   0.374% *  0.1318% (0.61   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HN    LEU   80  20.67 +/- 4.17   0.444% *  0.1102% (0.51   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LEU   80  19.66 +/- 2.70   0.295% *  0.1181% (0.54   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.36 +/- 1.93   0.132% *  0.2097% (0.96   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  25.32 +/- 2.47   0.129% *  0.1740% (0.80   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  21.64 +/- 2.96   0.205% *  0.0947% (0.44   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    LEU   80  22.29 +/- 2.36   0.216% *  0.0664% (0.30   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.17 +/- 3.45   0.113% *  0.1230% (0.56   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.82 +/- 1.68   0.117% *  0.1143% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.25 +/- 2.68   0.167% *  0.0741% (0.34   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 = 0.532, support = 7.36, residual support = 79.1:
      O   HA    LEU   80 - HN    LEU   80   2.74 +/- 0.29  71.002% * 73.3036% (0.50  10.0   7.70  85.17) =  92.342%  kept
          HA    ASP-  78 - HN    LEU   80   4.97 +/- 1.04  17.405% * 23.8428% (0.94   1.0   3.43   5.96) =   7.363%  kept
          HA    THR   23 - HN    LEU   80   9.61 +/- 5.77   6.728% *  2.4347% (0.85   1.0   0.39   1.78) =   0.291%  kept
          HB    THR   23 - HN    LEU   80  11.47 +/- 5.54   2.336% *  0.0523% (0.36   1.0   0.02   1.78) =   0.002%
          HA    ASP-  78 - HN    ALA   34  21.22 +/- 4.16   0.537% *  0.1149% (0.78   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.15 +/- 0.69   0.459% *  0.1033% (0.70   1.0   0.02   0.02) =   0.001%
          HA    LEU   80 - HN    ALA   34  17.19 +/- 3.42   0.428% *  0.0606% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  14.70 +/- 1.38   0.570% *  0.0432% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  20.10 +/- 2.69   0.268% *  0.0244% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.45 +/- 1.89   0.267% *  0.0202% (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 = 0.754, support = 5.56, residual support = 48.8:
      O   HA    GLU-  79 - HN    LEU   80   3.44 +/- 0.30  62.223% * 94.8682% (0.76  10.0   5.60  49.19) =  99.097%  kept
          HB    THR   77 - HN    LEU   80   6.32 +/- 1.68  17.583% *  2.4647% (0.29   1.0   1.35   0.59) =   0.728%  kept
          HA    THR   39 - HN    ALA   34   7.98 +/- 0.82   5.684% *  1.7206% (0.68   1.0   0.40   7.67) =   0.164%  kept
          HA    SER   85 - HN    LEU   80  10.73 +/- 0.65   2.304% *  0.0366% (0.29   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HN    LEU   80  20.35 +/- 3.35   0.735% *  0.1028% (0.82   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    LEU   80  11.23 +/- 1.38   2.282% *  0.0295% (0.24   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    LEU   80  19.46 +/- 4.16   0.567% *  0.1161% (0.93   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   34  19.01 +/- 4.07   0.833% *  0.0784% (0.63   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   34  20.25 +/- 4.60   2.134% *  0.0302% (0.24   1.0   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    LEU   80  19.59 +/- 3.66   0.569% *  0.1121% (0.89   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   34  13.83 +/- 2.74   1.251% *  0.0403% (0.32   1.0   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    LEU   80  17.69 +/- 3.14   0.954% *  0.0487% (0.39   1.0   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA   34  22.76 +/- 2.84   0.270% *  0.0960% (0.77   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  19.04 +/- 5.23   0.794% *  0.0218% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  16.05 +/- 1.31   0.683% *  0.0244% (0.20   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  28.90 +/- 2.69   0.124% *  0.0927% (0.74   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  26.32 +/- 7.34   0.335% *  0.0264% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  22.07 +/- 3.02   0.275% *  0.0302% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  26.20 +/- 3.82   0.219% *  0.0272% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  25.37 +/- 2.10   0.180% *  0.0329% (0.26   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 = 5.49, residual support = 44.9:
          HB3   GLU-  79 - HN    LEU   80   3.29 +/- 0.85  56.325% * 75.0197% (0.79   5.87  49.19) =  91.212%  kept
          QB    GLU-  36 - HN    ALA   34   5.18 +/- 0.26  19.681% * 18.9204% (0.70   1.67   0.37) =   8.038%  kept
          HB3   GLU-  29 - HN    ALA   34   7.45 +/- 1.19  10.700% *  2.4604% (0.78   0.19   0.02) =   0.568%  kept
          HG3   GLU-  29 - HN    ALA   34   9.27 +/- 1.06   3.549% *  1.8845% (0.60   0.19   0.02) =   0.144%  kept
          HB2   GLN   90 - HN    LEU   80  13.03 +/- 2.12   1.390% *  0.2827% (0.87   0.02   0.02) =   0.008%
          HB3   GLU-  79 - HN    ALA   34  17.34 +/- 4.29   1.773% *  0.2115% (0.65   0.02   0.02) =   0.008%
          HB2   LYS+  38 - HN    ALA   34   8.79 +/- 0.48   3.899% *  0.0782% (0.24   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HN    LEU   80  16.48 +/- 4.23   0.650% *  0.3056% (0.94   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HN    LEU   80  15.89 +/- 4.32   0.718% *  0.2341% (0.72   0.02   0.02) =   0.004%
          QB    GLU-  36 - HN    LEU   80  19.76 +/- 2.98   0.590% *  0.2747% (0.85   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HN    LEU   80  23.79 +/- 4.31   0.555% *  0.0945% (0.29   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  25.59 +/- 2.31   0.173% *  0.2338% (0.72   0.02   0.02) =   0.001%
    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 = 4.82, residual support = 21.3:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.06  96.594% * 98.7794% (0.80 10.00   4.82  21.35) =  99.991%  kept
        T HN    ASN   35 - HN    LEU   80  19.17 +/- 4.18   0.787% *  0.8847% (0.72 10.00   0.02   0.02) =   0.007%
          HN    ALA   12 - HN    ALA   34  18.21 +/- 4.87   0.745% *  0.1223% (0.99  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  25.86 +/- 6.56   0.263% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  16.13 +/- 2.20   0.664% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  15.62 +/- 1.66   0.565% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  20.63 +/- 1.58   0.237% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.49 +/- 2.28   0.146% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.89, support = 5.51, residual support = 39.1:
          HN    LYS+  81 - HN    LEU   80   3.19 +/- 0.65  83.560% * 95.1307% (0.89   5.52  39.16) =  99.789%  kept
          HE3   TRP   27 - HN    LEU   80  10.63 +/- 3.82   4.327% *  3.4584% (0.20   0.90   9.37) =   0.188%  kept
          QD    PHE   60 - HN    LEU   80  13.98 +/- 3.11   2.114% *  0.2768% (0.72   0.02   0.02) =   0.007%
          HE3   TRP   27 - HN    ALA   34   8.39 +/- 0.86   6.334% *  0.0859% (0.22   0.02   0.02) =   0.007%
          QD    PHE   60 - HN    ALA   34  16.28 +/- 2.35   0.945% *  0.3091% (0.80   0.02   0.02) =   0.004%
          HN    LYS+  81 - HN    ALA   34  19.23 +/- 4.14   0.457% *  0.3851% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    ALA   34  17.32 +/- 2.04   0.821% *  0.1191% (0.31   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    LEU   80  18.41 +/- 1.50   0.564% *  0.1067% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - HN    LEU   80  20.00 +/- 3.57   0.607% *  0.0605% (0.16   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  24.80 +/- 1.92   0.272% *  0.0676% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.738, support = 1.52, residual support = 2.47:
          HA    GLN   30 - HN    ALA   34   4.33 +/- 0.75  37.845% * 42.4876% (0.80   1.72   1.36) =  64.820%  kept
          HB    THR   39 - HN    ALA   34   6.26 +/- 1.48  18.035% * 28.0148% (0.61   1.50   7.67) =  20.367%  kept
          HB3   SER   82 - HN    LEU   80   6.68 +/- 0.95  14.080% * 14.8429% (0.82   0.58   0.30) =   8.425%  kept
          HB3   SER   37 - HN    ALA   34   6.24 +/- 0.93  15.110% * 10.1530% (0.45   0.74   0.02) =   6.184%  kept
          QB    SER   13 - HN    ALA   34  14.46 +/- 4.28   5.445% *  0.3984% (0.65   0.02   0.02) =   0.087%
          HA    ILE   89 - HN    LEU   80  11.51 +/- 1.33   2.519% *  0.2473% (0.40   0.02   0.02) =   0.025%
          HA    GLN   30 - HN    LEU   80  15.78 +/- 3.89   0.968% *  0.4417% (0.72   0.02   0.02) =   0.017%
          HB3   SER   82 - HN    ALA   34  18.40 +/- 3.72   0.601% *  0.5685% (0.92   0.02   0.02) =   0.014%
          HD3   PRO   52 - HN    LEU   80  19.34 +/- 3.94   0.648% *  0.4785% (0.78   0.02   0.02) =   0.013%
          HB    THR   39 - HN    LEU   80  18.81 +/- 3.17   0.893% *  0.3346% (0.54   0.02   0.02) =   0.012%
          HB2   CYS   53 - HN    LEU   80  17.14 +/- 3.77   0.988% *  0.2070% (0.34   0.02   0.02) =   0.008%
          QB    SER   13 - HN    LEU   80  21.68 +/- 4.70   0.512% *  0.3568% (0.58   0.02   0.02) =   0.007%
          HB3   SER   37 - HN    LEU   80  21.34 +/- 3.81   0.675% *  0.2473% (0.40   0.02   0.02) =   0.007%
          HA    ILE   89 - HN    ALA   34  21.79 +/- 1.90   0.308% *  0.2761% (0.45   0.02   0.02) =   0.003%
          HD3   PRO   52 - HN    ALA   34  28.85 +/- 2.68   0.150% *  0.5342% (0.87   0.02   0.02) =   0.003%
          HB2   CYS   53 - HN    ALA   34  25.11 +/- 2.34   0.227% *  0.2311% (0.37   0.02   0.02) =   0.002%
          HB    THR  118 - HN    ALA   34  21.98 +/- 3.37   0.550% *  0.0950% (0.15   0.02   0.02) =   0.002%
          HB    THR  118 - HN    LEU   80  20.97 +/- 2.48   0.446% *  0.0851% (0.14   0.02   0.02) =   0.002%
    Distance limit 4.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.737, support = 2.63, residual support = 9.13:
          HA    LEU   31 - HN    ALA   34   3.20 +/- 0.42  58.524% * 78.6269% (0.76   2.76   9.71) =  93.669%  kept
          HA    THR   77 - HN    LEU   80   4.28 +/- 1.68  39.599% *  7.4804% (0.34   0.60   0.59) =   6.030%  kept
          HA    LEU   31 - HN    LEU   80  15.06 +/- 3.90   1.070% * 13.6134% (0.68   0.53   0.37) =   0.297%  kept
          HA    THR   77 - HN    ALA   34  18.37 +/- 4.08   0.807% *  0.2793% (0.37   0.02   0.02) =   0.005%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.39, support = 3.28, residual support = 5.88:
          HA    ASP-  78 - HN    LEU   80   4.97 +/- 1.04  44.836% * 86.1957% (0.40   3.43   5.96) =  95.025%  kept
          HA    THR   23 - HN    LEU   80   9.61 +/- 5.77  25.921% *  4.3225% (0.18   0.39   1.78) =   2.755%  kept
          HA    VAL   41 - HN    ALA   34   7.83 +/- 1.81  11.775% *  6.8470% (0.17   0.62   8.36) =   1.982%  kept
          HA    PHE   45 - HN    LEU   80   8.76 +/- 1.67   8.913% *  0.7700% (0.61   0.02   0.02) =   0.169%  kept
          HA    VAL   41 - HN    LEU   80  14.52 +/- 2.79   5.053% *  0.1963% (0.16   0.02   0.02) =   0.024%
          HA    ASP-  78 - HN    ALA   34  21.22 +/- 4.16   1.396% *  0.5611% (0.45   0.02   0.02) =   0.019%
          HA    PHE   45 - HN    ALA   34  18.07 +/- 1.60   0.821% *  0.8597% (0.69   0.02   0.02) =   0.017%
          HA    THR   23 - HN    ALA   34  15.15 +/- 0.69   1.285% *  0.2477% (0.20   0.02   0.02) =   0.008%
    Distance limit 4.12 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.694, support = 4.44, residual support = 19.1:
          QE    LYS+  33 - HN    ALA   34   4.58 +/- 0.79  28.750% * 33.5122% (0.52   5.72  41.26) =  40.903%  kept
          HB2   ASP-  78 - HN    LEU   80   5.46 +/- 0.68  16.862% * 41.7634% (0.88   4.27   5.96) =  29.896%  kept
          HB2   ASP-  76 - HN    LEU   80   4.60 +/- 1.00  29.059% * 23.5608% (0.75   2.83   1.60) =  29.066%  kept
          HB2   ASN   69 - HN    ALA   34  14.41 +/- 3.57   6.671% *  0.1617% (0.72   0.02   0.02) =   0.046%
          HB2   ASP-  76 - HN    ALA   34  16.74 +/- 4.05   5.206% *  0.1860% (0.83   0.02   0.02) =   0.041%
          HB2   ASP-  78 - HN    ALA   34  20.77 +/- 4.48   1.550% *  0.2182% (0.98   0.02   0.02) =   0.014%
          HB2   ASN   28 - HN    ALA   34   9.33 +/- 0.57   3.390% *  0.0915% (0.41   0.02   0.02) =   0.013%
          HB2   ASN   28 - HN    LEU   80  13.01 +/- 4.29   1.587% *  0.0820% (0.37   0.02   1.70) =   0.006%
          HB2   ASP-  86 - HN    LEU   80   9.57 +/- 1.01   3.611% *  0.0270% (0.12   0.02   0.02) =   0.004%
          QE    LYS+  33 - HN    LEU   80  17.18 +/- 3.43   0.780% *  0.1049% (0.47   0.02   0.02) =   0.003%
          HB2   ASN   69 - HN    LEU   80  21.83 +/- 3.78   0.556% *  0.1448% (0.65   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    ALA   34  17.80 +/- 2.36   0.718% *  0.0619% (0.28   0.02   0.02) =   0.002%
          QE    LYS+  65 - HN    LEU   80  17.32 +/- 3.66   0.681% *  0.0554% (0.25   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ALA   34  17.50 +/- 3.67   0.579% *  0.0301% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.434, support = 5.62, residual support = 48.6:
          HB2   GLU-  79 - HN    LEU   80   2.98 +/- 0.32  83.777% * 85.5997% (0.44   5.68  49.19) =  98.822%  kept
          HG3   GLU-  36 - HN    ALA   34   7.29 +/- 1.00   8.273% *  9.9537% (0.34   0.84   0.37) =   1.135%  kept
          HG3   GLU-  25 - HN    LEU   80  14.38 +/- 4.81   1.671% *  0.6069% (0.88   0.02   0.02) =   0.014%
          HG3   GLU-  25 - HN    ALA   34  14.62 +/- 1.12   0.862% *  0.6776% (0.98   0.02   0.02) =   0.008%
          HG2   MET   92 - HN    LEU   80  12.98 +/- 3.57   2.321% *  0.2112% (0.30   0.02   0.02) =   0.007%
          HB2   GLU-  79 - HN    ALA   34  17.01 +/- 3.89   0.972% *  0.3365% (0.49   0.02   0.02) =   0.005%
          HG2   PRO   52 - HN    LEU   80  18.69 +/- 4.58   0.555% *  0.5371% (0.78   0.02   0.02) =   0.004%
          QG    GLU- 114 - HN    LEU   80  19.19 +/- 1.35   0.345% *  0.2546% (0.37   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  27.74 +/- 3.15   0.124% *  0.5997% (0.87   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.78 +/- 1.81   0.228% *  0.2842% (0.41   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    LEU   80  22.22 +/- 2.30   0.251% *  0.2324% (0.34   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.54 +/- 2.65   0.222% *  0.2595% (0.37   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  23.33 +/- 3.65   0.244% *  0.2112% (0.30   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.68 +/- 1.84   0.153% *  0.2358% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.743, support = 5.34, residual support = 42.3:
          HB3   GLU-  79 - HN    LEU   80   3.29 +/- 0.85  41.201% * 66.7199% (0.78   5.87  49.19) =  85.819%  kept
          QB    GLU-  36 - HN    ALA   34   5.18 +/- 0.26  13.739% * 19.5356% (0.80   1.67   0.37) =   8.379%  kept
          QB    GLN   32 - HN    ALA   34   4.64 +/- 0.15  17.990% *  8.4770% (0.17   3.31   0.70) =   4.761%  kept
          HB    VAL   24 - HN    LEU   80   8.04 +/- 5.28   9.447% *  2.1898% (0.20   0.75   7.02) =   0.646%  kept
          HB3   GLU-  29 - HN    ALA   34   7.45 +/- 1.19   7.516% *  1.3880% (0.49   0.19   0.02) =   0.326%  kept
          HG3   GLU-  29 - HN    ALA   34   9.27 +/- 1.06   2.475% *  0.4994% (0.17   0.19   0.02) =   0.039%
          HB3   GLU-  79 - HN    ALA   34  17.34 +/- 4.29   1.240% *  0.2540% (0.87   0.02   0.02) =   0.010%
          HG3   GLU- 100 - HN    ALA   34  11.55 +/- 3.38   2.131% *  0.1425% (0.49   0.02   0.02) =   0.009%
          QB    GLU-  36 - HN    LEU   80  19.76 +/- 2.98   0.411% *  0.2100% (0.72   0.02   0.02) =   0.003%
          HB2   GLN   90 - HN    LEU   80  13.03 +/- 2.12   0.965% *  0.0810% (0.28   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    LEU   80  16.48 +/- 4.23   0.453% *  0.1277% (0.44   0.02   0.02) =   0.002%
          HB    VAL   24 - HN    ALA   34  14.30 +/- 0.67   0.650% *  0.0652% (0.22   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    LEU   80  15.59 +/- 3.86   0.894% *  0.0459% (0.16   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    LEU   80  22.90 +/- 3.37   0.270% *  0.1277% (0.44   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    LEU   80  15.89 +/- 4.32   0.497% *  0.0459% (0.16   0.02   0.02) =   0.001%
          HB2   GLN   90 - HN    ALA   34  25.59 +/- 2.31   0.121% *  0.0904% (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 = 0.687, support = 0.174, residual support = 0.327:
          QG1   VAL   75 - HN    LEU   80   5.52 +/- 1.14  81.846% * 70.8444% (0.68   0.18   0.34) =  97.153%  kept
          QG1   VAL   75 - HN    ALA   34  12.59 +/- 2.99  10.335% *  8.8624% (0.76   0.02   0.02) =   1.535%  kept
          QD1   LEU  115 - HN    LEU   80  15.01 +/- 1.62   4.830% *  9.5882% (0.82   0.02   0.02) =   0.776%  kept
          QD1   LEU  115 - HN    ALA   34  18.29 +/- 2.04   2.989% * 10.7050% (0.92   0.02   0.02) =   0.536%  kept
    Distance limit 4.69 A violated in 5 structures by 0.93 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.318, support = 6.68, residual support = 82.0:
          QD2   LEU   80 - HN    LEU   80   3.40 +/- 0.85  34.475% * 54.6763% (0.40   6.51  85.17) =  60.414%  kept
          QD1   LEU   80 - HN    LEU   80   3.12 +/- 0.87  39.607% * 27.9932% (0.18   7.55  85.17) =  35.535%  kept
          QG2   VAL   41 - HN    ALA   34   5.77 +/- 2.27   9.286% * 13.0119% (0.34   1.82   8.36) =   3.873%  kept
          QG2   VAL   41 - HN    LEU   80  11.41 +/- 2.61   1.550% *  1.2706% (0.30   0.20   0.02) =   0.063%
          QD1   LEU   73 - HN    ALA   34   8.23 +/- 2.12   3.391% *  0.3495% (0.83   0.02   0.02) =   0.038%
          QD1   LEU   73 - HN    LEU   80   9.19 +/- 1.71   2.974% *  0.3131% (0.75   0.02   0.02) =   0.030%
          QD1   LEU   63 - HN    ALA   34  14.36 +/- 2.11   0.956% *  0.3495% (0.83   0.02   0.02) =   0.011%
          QD2   LEU   63 - HN    ALA   34  13.40 +/- 1.78   0.583% *  0.3753% (0.89   0.02   0.02) =   0.007%
          QD2   LEU   98 - HN    ALA   34   8.84 +/- 2.77   2.378% *  0.0828% (0.20   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    ALA   34  11.83 +/- 3.71   0.859% *  0.1876% (0.45   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    LEU   80  14.60 +/- 1.91   0.333% *  0.3361% (0.80   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LEU   80  14.92 +/- 2.44   0.352% *  0.3131% (0.75   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    ALA   34  12.35 +/- 2.02   0.933% *  0.1043% (0.25   0.02   0.02) =   0.003%
          QD2   LEU   98 - HN    LEU   80  12.67 +/- 2.68   0.879% *  0.0742% (0.18   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU   80  15.88 +/- 2.12   0.325% *  0.1824% (0.44   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ALA   34  13.07 +/- 3.79   0.609% *  0.0828% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ALA   34  18.92 +/- 1.87   0.193% *  0.2037% (0.49   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   80  17.53 +/- 3.77   0.317% *  0.0935% (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 = 0.694, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  21.12 +/- 5.18  17.531% * 31.5414% (1.00   0.02   0.02) =  36.459%  kept
          QD2   LEU  123 - HN    LEU   80  23.13 +/- 2.83  12.220% * 28.2508% (0.89   0.02   0.02) =  22.762%  kept
          HB3   LEU  104 - HN    ALA   34  15.91 +/- 2.50  31.309% *  7.0378% (0.22   0.02   0.02) =  14.529%  kept
          HG3   LYS+ 121 - HN    ALA   34  23.06 +/- 5.28  11.715% * 14.1725% (0.45   0.02   0.02) =  10.948%  kept
          HG3   LYS+ 121 - HN    LEU   80  25.04 +/- 3.53   9.465% * 12.6939% (0.40   0.02   0.02) =   7.922%  kept
          HB3   LEU  104 - HN    LEU   80  20.85 +/- 3.64  17.761% *  6.3036% (0.20   0.02   0.02) =   7.382%  kept
    Distance limit 4.51 A violated in 20 structures by 9.27 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.789, support = 5.41, residual support = 39.7:
          QB    LYS+  33 - HN    ALA   34   3.39 +/- 0.33  47.516% * 46.5779% (0.74   5.93  41.26) =  68.971%  kept
          QB    LYS+  81 - HN    LEU   80   4.73 +/- 0.69  20.627% * 44.7055% (0.94   4.46  39.16) =  28.738%  kept
          HB3   GLN   30 - HN    ALA   34   5.64 +/- 0.59  12.480% *  5.6891% (0.32   1.67   1.36) =   2.213%  kept
          HG3   PRO   68 - HN    ALA   34  16.65 +/- 4.00   7.274% *  0.1270% (0.60   0.02   0.02) =   0.029%
          HB3   GLN   90 - HN    LEU   80  13.09 +/- 2.06   1.400% *  0.1970% (0.93   0.02   0.02) =   0.009%
          HB3   LYS+  38 - HN    ALA   34   9.22 +/- 0.56   2.525% *  0.1008% (0.47   0.02   0.02) =   0.008%
          QB    LYS+ 106 - HN    LEU   80  15.83 +/- 1.84   0.536% *  0.2010% (0.95   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    ALA   34  15.40 +/- 3.18   0.761% *  0.1331% (0.63   0.02   0.02) =   0.003%
          QB    LYS+  33 - HN    LEU   80  16.64 +/- 2.93   0.498% *  0.1901% (0.89   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    LEU   80  13.40 +/- 3.89   1.066% *  0.0826% (0.39   0.02   0.02) =   0.003%
          HB    ILE  103 - HN    LEU   80  17.93 +/- 3.03   0.545% *  0.1609% (0.76   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ALA   34  18.89 +/- 3.97   0.493% *  0.1658% (0.78   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    LEU   80  20.67 +/- 4.17   0.444% *  0.1679% (0.79   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA   34  17.20 +/- 1.71   0.431% *  0.1662% (0.78   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    LEU   80  13.78 +/- 2.38   1.066% *  0.0559% (0.26   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    ALA   34  17.56 +/- 1.69   0.374% *  0.1441% (0.68   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LEU   80  19.66 +/- 2.70   0.295% *  0.1743% (0.82   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LEU   80  20.55 +/- 3.23   0.294% *  0.1536% (0.72   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   80  23.38 +/- 4.37   0.297% *  0.1219% (0.57   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU   80  21.64 +/- 2.96   0.205% *  0.1536% (0.72   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA   34  25.32 +/- 2.47   0.129% *  0.1629% (0.77   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ALA   34  24.36 +/- 1.93   0.132% *  0.1270% (0.60   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   34  27.17 +/- 3.45   0.113% *  0.1388% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.29 +/- 2.36   0.216% *  0.0310% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.82 +/- 1.68   0.117% *  0.0462% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.25 +/- 2.68   0.167% *  0.0256% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.248, support = 3.65, residual support = 24.7:
      O   QB    ALA   34 - HN    ALA   34   2.03 +/- 0.08  86.558% * 81.6176% (0.24  10.0   3.68  25.04) =  98.656%  kept
          QG2   THR   77 - HN    LEU   80   5.73 +/- 1.33   5.512% * 17.2613% (0.76   1.0   1.35   0.59) =   1.329%  kept
          QG2   THR   23 - HN    LEU   80  10.10 +/- 4.72   2.379% *  0.2069% (0.61   1.0   0.02   1.78) =   0.007%
          QB    ALA   88 - HN    LEU   80  11.46 +/- 1.75   1.796% *  0.1315% (0.39   1.0   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    ALA   34  16.23 +/- 3.35   0.543% *  0.2117% (0.63   1.0   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    LEU   80  14.13 +/- 3.11   0.700% *  0.0987% (0.29   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ALA   34  12.65 +/- 1.00   0.392% *  0.1711% (0.51   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.46 +/- 0.91   1.606% *  0.0408% (0.12   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    ALA   34  19.09 +/- 1.90   0.115% *  0.1087% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  17.12 +/- 3.23   0.214% *  0.0560% (0.17   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  23.55 +/- 4.04   0.102% *  0.0493% (0.15   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.84 +/- 1.58   0.085% *  0.0463% (0.14   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 = 0.475, support = 6.32, residual support = 85.1:
      O   HB2   LEU   80 - HN    LEU   80   3.14 +/- 0.71  46.090% * 49.3072% (0.26  10.0   5.97  85.17) =  56.962%  kept
          HG    LEU   80 - HN    LEU   80   3.71 +/- 0.83  35.582% * 48.2078% (0.76   1.0   6.79  85.17) =  42.994%  kept
          HG    LEU   73 - HN    ALA   34  10.56 +/- 2.88   2.274% *  0.1225% (0.65   1.0   0.02   0.02) =   0.007%
          HG    LEU   73 - HN    LEU   80  11.39 +/- 1.89   1.420% *  0.1481% (0.79   1.0   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    ALA   34   9.85 +/- 2.77   1.896% *  0.1007% (0.54   1.0   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    ALA   34  14.77 +/- 4.53   1.201% *  0.1065% (0.57   1.0   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ALA   34  14.22 +/- 2.22   0.851% *  0.1463% (0.78   1.0   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    LEU   80  14.27 +/- 2.06   0.589% *  0.1678% (0.89   1.0   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ALA   34  15.82 +/- 2.38   0.682% *  0.1387% (0.74   1.0   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ALA   34  15.20 +/- 4.11   0.630% *  0.1174% (0.63   1.0   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ALA   34  10.52 +/- 1.55   1.471% *  0.0500% (0.27   1.0   0.02   0.37) =   0.002%
          HB3   LEU   67 - HN    LEU   80  17.09 +/- 1.87   0.348% *  0.1769% (0.94   1.0   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    LEU   80  16.36 +/- 4.02   0.453% *  0.1218% (0.65   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   34  17.26 +/- 2.06   0.368% *  0.1415% (0.75   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    LEU   80  10.40 +/- 1.44   1.464% *  0.0274% (0.15   1.0   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU   80  18.96 +/- 1.40   0.222% *  0.1711% (0.91   1.0   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    LEU   80  18.28 +/- 2.69   0.264% *  0.1355% (0.72   1.0   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LEU   80  17.90 +/- 2.85   0.535% *  0.0605% (0.32   1.0   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ALA   34  14.30 +/- 2.47   1.276% *  0.0226% (0.12   1.0   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    LEU   80  21.31 +/- 3.85   0.192% *  0.1288% (0.69   1.0   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   34  14.73 +/- 2.37   0.602% *  0.0366% (0.20   1.0   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   34  16.15 +/- 3.98   0.457% *  0.0408% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  18.65 +/- 1.77   0.249% *  0.0605% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  17.54 +/- 2.12   0.315% *  0.0442% (0.24   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  23.75 +/- 1.73   0.114% *  0.1121% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  22.17 +/- 2.21   0.149% *  0.0500% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  23.15 +/- 4.80   0.187% *  0.0257% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  24.87 +/- 3.26   0.118% *  0.0311% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.631, support = 1.66, residual support = 8.93:
          HG    LEU   31 - HN    ALA   34   5.90 +/- 0.39  15.249% * 63.0376% (0.51   2.48   9.71) =  53.340%  kept
          QG1   VAL   41 - HN    ALA   34   5.12 +/- 1.81  27.491% * 29.4148% (0.78   0.75   8.36) =  44.870%  kept
          QG1   VAL   43 - HN    LEU   80   8.62 +/- 1.82   9.487% *  0.8777% (0.87   0.02   0.02) =   0.462%  kept
          QG1   VAL   41 - HN    LEU   80  12.72 +/- 3.05   7.417% *  0.9487% (0.94   0.02   0.02) =   0.390%  kept
          QD2   LEU   73 - HN    ALA   34   8.27 +/- 2.36   7.185% *  0.3827% (0.38   0.02   0.02) =   0.153%  kept
          QG2   THR   46 - HN    LEU   80   9.45 +/- 1.64   4.627% *  0.5767% (0.57   0.02   0.02) =   0.148%  kept
          QG1   VAL   43 - HN    ALA   34  10.64 +/- 2.55   3.555% *  0.7257% (0.72   0.02   0.02) =   0.143%  kept
          QD2   LEU   73 - HN    LEU   80  10.02 +/- 1.78   4.739% *  0.4628% (0.46   0.02   0.02) =   0.122%  kept
          QD1   ILE   19 - HN    ALA   34   8.11 +/- 2.20   7.540% *  0.2186% (0.22   0.02   0.02) =   0.091%
          HG    LEU   31 - HN    LEU   80  12.76 +/- 3.78   2.357% *  0.6151% (0.61   0.02   0.37) =   0.080%
          QG2   VAL   18 - HN    LEU   80  13.62 +/- 4.10   1.632% *  0.6904% (0.69   0.02   0.02) =   0.063%
          QG2   VAL   18 - HN    ALA   34  12.24 +/- 1.72   1.681% *  0.5709% (0.57   0.02   0.02) =   0.053%
          QD2   LEU  104 - HN    ALA   34  11.87 +/- 2.30   2.680% *  0.1377% (0.14   0.02   0.02) =   0.020%
          QD1   ILE   19 - HN    LEU   80  14.18 +/- 2.96   1.347% *  0.2644% (0.26   0.02   0.02) =   0.020%
          QG2   THR   46 - HN    ALA   34  16.36 +/- 1.38   0.676% *  0.4768% (0.47   0.02   0.02) =   0.018%
          QD1   ILE   56 - HN    LEU   80  16.11 +/- 2.62   0.859% *  0.2371% (0.24   0.02   0.02) =   0.011%
          QD2   LEU  104 - HN    LEU   80  16.90 +/- 3.35   1.080% *  0.1665% (0.17   0.02   0.02) =   0.010%
          QD1   ILE   56 - HN    ALA   34  19.54 +/- 1.77   0.396% *  0.1960% (0.20   0.02   0.02) =   0.004%
    Distance limit 4.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 6.5, residual support = 85.0:
          QD2   LEU   80 - HN    LEU   80   3.40 +/- 0.85  52.682% * 97.1570% (0.85   6.51  85.17) =  99.832%  kept
          QD1   LEU   73 - HN    ALA   34   8.23 +/- 2.12   9.385% *  0.2698% (0.77   0.02   0.02) =   0.049%
          QD1   LEU   73 - HN    LEU   80   9.19 +/- 1.71   5.554% *  0.3264% (0.93   0.02   0.02) =   0.035%
          QG1   VAL   83 - HN    LEU   80   5.43 +/- 0.95  19.161% *  0.0830% (0.24   0.02   0.12) =   0.031%
          QD1   LEU  104 - HN    ALA   34  12.35 +/- 2.02   2.655% *  0.1891% (0.54   0.02   0.02) =   0.010%
          QD2   LEU   80 - HN    ALA   34  11.83 +/- 3.71   1.963% *  0.2469% (0.70   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    LEU   80  14.92 +/- 2.44   1.188% *  0.3264% (0.93   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    ALA   34  14.36 +/- 2.11   1.147% *  0.2698% (0.77   0.02   0.02) =   0.006%
          QD1   LEU  104 - HN    LEU   80  17.53 +/- 3.77   1.075% *  0.2287% (0.65   0.02   0.02) =   0.005%
          QD2   LEU  115 - HN    LEU   80  15.88 +/- 2.12   0.795% *  0.3074% (0.87   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    LEU   80  14.60 +/- 1.91   0.969% *  0.1493% (0.42   0.02   0.02) =   0.003%
          QG1   VAL   83 - HN    ALA   34  12.53 +/- 2.94   2.007% *  0.0686% (0.20   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    ALA   34  13.40 +/- 1.78   1.042% *  0.1234% (0.35   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    ALA   34  18.92 +/- 1.87   0.378% *  0.2541% (0.72   0.02   0.02) =   0.002%
    Distance limit 4.10 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.458, support = 0.176, residual support = 0.331:
          QG1   VAL   75 - HN    LEU   80   5.52 +/- 1.14  81.846% * 81.8041% (0.46   0.18   0.34) =  98.228%  kept
          QG1   VAL   75 - HN    ALA   34  12.59 +/- 2.99  10.335% *  7.5784% (0.38   0.02   0.02) =   1.149%  kept
          QD1   LEU  115 - HN    LEU   80  15.01 +/- 1.62   4.830% *  5.8120% (0.29   0.02   0.02) =   0.412%  kept
          QD1   LEU  115 - HN    ALA   34  18.29 +/- 2.04   2.989% *  4.8054% (0.24   0.02   0.02) =   0.211%  kept
    Distance limit 4.50 A violated in 7 structures by 1.08 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.617, support = 3.53, residual support = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.75 +/- 0.02  67.902% * 86.2767% (0.63  10.0   3.49  25.04) =  97.349%  kept
          HA    LYS+  81 - HN    LEU   80   4.73 +/- 0.49  14.467% * 10.3746% (0.29   1.0   5.16  39.16) =   2.494%  kept
          HA    GLU-  36 - HN    ALA   34   7.01 +/- 0.07   4.085% *  2.0726% (0.17   1.0   1.73   0.37) =   0.141%  kept
          HA    ASN   28 - HN    ALA   34   7.69 +/- 0.35   3.180% *  0.1019% (0.74   1.0   0.02   0.02) =   0.005%
          HA1   GLY  101 - HN    ALA   34  11.48 +/- 4.85   4.249% *  0.0654% (0.47   1.0   0.02   0.02) =   0.005%
          HA    ASN   28 - HN    LEU   80  12.17 +/- 4.06   1.104% *  0.1233% (0.89   1.0   0.02   1.70) =   0.002%
          HA    ALA   34 - HN    LEU   80  18.55 +/- 3.43   0.429% *  0.1043% (0.76   1.0   0.02   0.02) =   0.001%
          HA    ARG+  54 - HN    LEU   80  19.24 +/- 3.64   0.311% *  0.1088% (0.79   1.0   0.02   0.02) =   0.001%
          HA    THR   26 - HN    ALA   34   9.82 +/- 1.00   1.708% *  0.0189% (0.14   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    ALA   34  26.28 +/- 7.39   0.376% *  0.0782% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.09 +/- 2.02   0.194% *  0.1203% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.39 +/- 3.70   0.255% *  0.0790% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  13.90 +/- 4.61   0.779% *  0.0228% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.88 +/- 2.45   0.137% *  0.0995% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  25.35 +/- 3.26   0.102% *  0.0900% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  20.23 +/- 3.78   0.254% *  0.0333% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.46 +/- 1.55   0.114% *  0.0584% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  23.38 +/- 3.97   0.210% *  0.0290% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  30.64 +/- 3.08   0.054% *  0.0946% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.56 +/- 2.85   0.092% *  0.0483% (0.35   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 = 0.579, support = 2.58, residual support = 8.95:
          HA    LEU   31 - HN    ALA   34   3.20 +/- 0.42  58.524% * 73.2161% (0.60   2.76   9.71) =  91.638%  kept
          HA    THR   77 - HN    LEU   80   4.28 +/- 1.68  39.599% *  9.4060% (0.36   0.60   0.59) =   7.966%  kept
          HA    LEU   31 - HN    LEU   80  15.06 +/- 3.90   1.070% * 17.1178% (0.72   0.53   0.37) =   0.392%  kept
          HA    THR   77 - HN    ALA   34  18.37 +/- 4.08   0.807% *  0.2601% (0.29   0.02   0.02) =   0.004%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.695, support = 4.62, residual support = 21.3:
          QE    LYS+  33 - HN    ALA   34   4.58 +/- 0.79  28.750% * 37.5407% (0.60   5.72  41.26) =  46.265%  kept
          HB2   ASP-  78 - HN    LEU   80   5.46 +/- 0.68  16.862% * 43.4914% (0.93   4.27   5.96) =  31.435%  kept
          HB2   ASP-  76 - HN    LEU   80   4.60 +/- 1.00  29.059% * 17.8165% (0.57   2.83   1.60) =  22.193%  kept
          HB2   ASN   69 - HN    ALA   34  14.41 +/- 3.57   6.671% *  0.0836% (0.38   0.02   0.02) =   0.024%
          HB2   ASP-  76 - HN    ALA   34  16.74 +/- 4.05   5.206% *  0.1041% (0.47   0.02   0.02) =   0.023%
          HB2   ASN   28 - HN    ALA   34   9.33 +/- 0.57   3.390% *  0.1111% (0.51   0.02   0.02) =   0.016%
          HB2   ASP-  78 - HN    ALA   34  20.77 +/- 4.48   1.550% *  0.1683% (0.77   0.02   0.02) =   0.011%
          HB2   ASN   28 - HN    LEU   80  13.01 +/- 4.29   1.587% *  0.1343% (0.61   0.02   1.70) =   0.009%
          HB2   ASP-  86 - HN    LEU   80   9.57 +/- 1.01   3.611% *  0.0577% (0.26   0.02   0.02) =   0.009%
          QE    LYS+  33 - HN    LEU   80  17.18 +/- 3.43   0.780% *  0.1587% (0.72   0.02   0.02) =   0.005%
          QE    LYS+  65 - HN    LEU   80  17.32 +/- 3.66   0.681% *  0.1011% (0.46   0.02   0.02) =   0.003%
          QE    LYS+  65 - HN    ALA   34  17.80 +/- 2.36   0.718% *  0.0836% (0.38   0.02   0.02) =   0.003%
          HB2   ASN   69 - HN    LEU   80  21.83 +/- 3.78   0.556% *  0.1011% (0.46   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    ALA   34  17.50 +/- 3.67   0.579% *  0.0477% (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 = 0.459, support = 5.64, residual support = 48.8:
          HB2   GLU-  79 - HN    LEU   80   2.98 +/- 0.32  83.777% * 88.4325% (0.46   5.68  49.19) =  99.118%  kept
          HG3   GLU-  36 - HN    ALA   34   7.29 +/- 1.00   8.273% *  7.6152% (0.27   0.84   0.37) =   0.843%  kept
          HG3   GLU-  25 - HN    LEU   80  14.38 +/- 4.81   1.671% *  0.6270% (0.93   0.02   0.02) =   0.014%
          HG2   MET   92 - HN    LEU   80  12.98 +/- 3.57   2.321% *  0.2182% (0.32   0.02   0.02) =   0.007%
          HG3   GLU-  25 - HN    ALA   34  14.62 +/- 1.12   0.862% *  0.5184% (0.77   0.02   0.02) =   0.006%
          HG2   PRO   52 - HN    LEU   80  18.69 +/- 4.58   0.555% *  0.5549% (0.82   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HN    ALA   34  17.01 +/- 3.89   0.972% *  0.2574% (0.38   0.02   0.02) =   0.003%
          QG    GLU- 114 - HN    LEU   80  19.19 +/- 1.35   0.345% *  0.2630% (0.39   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    LEU   80  22.22 +/- 2.30   0.251% *  0.2401% (0.36   0.02   0.02) =   0.001%
          HG2   PRO   52 - HN    ALA   34  27.74 +/- 3.15   0.124% *  0.4588% (0.68   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    LEU   80  23.33 +/- 3.65   0.244% *  0.2182% (0.32   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    ALA   34  22.78 +/- 1.81   0.228% *  0.2174% (0.32   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ALA   34  23.54 +/- 2.65   0.222% *  0.1985% (0.29   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ALA   34  25.68 +/- 1.84   0.153% *  0.1804% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.761, support = 7.22, residual support = 39.4:
      O   HA    LYS+  33 - HN    ALA   34   3.55 +/- 0.03  40.331% * 88.7965% (0.78  10.0   7.38  41.26) =  95.425%  kept
          HA    GLN   32 - HN    ALA   34   4.25 +/- 0.27  24.188% *  5.7265% (0.22   1.0   4.64   0.70) =   3.691%  kept
          HB2   SER   82 - HN    LEU   80   6.91 +/- 0.81   6.527% *  2.8076% (0.85   1.0   0.58   0.30) =   0.488%  kept
          HA    GLU-  29 - HN    ALA   34   6.49 +/- 0.88   8.812% *  1.5852% (0.75   1.0   0.37   0.02) =   0.372%  kept
          HB2   SER   37 - HN    ALA   34   6.25 +/- 0.83   8.436% *  0.0198% (0.17   1.0   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ALA   34  11.60 +/- 1.79   1.487% *  0.0770% (0.68   1.0   0.02   0.02) =   0.003%
          HA    SER   48 - HN    LEU   80  12.73 +/- 3.90   1.994% *  0.0565% (0.50   1.0   0.02   0.02) =   0.003%
          HA    VAL   18 - HN    ALA   34  12.18 +/- 1.85   1.255% *  0.0840% (0.74   1.0   0.02   0.02) =   0.003%
          HA    ALA   88 - HN    LEU   80  11.84 +/- 1.63   2.091% *  0.0331% (0.29   1.0   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    LEU   80  15.91 +/- 4.26   0.593% *  0.1036% (0.91   1.0   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    LEU   80  16.57 +/- 4.78   0.510% *  0.1016% (0.89   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LEU   80  18.33 +/- 2.72   0.533% *  0.0932% (0.82   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    LEU   80  19.72 +/- 3.71   0.369% *  0.1074% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ALA   34  18.16 +/- 3.68   0.380% *  0.0796% (0.70   1.0   0.02   0.02) =   0.001%
          HA    GLN   32 - HN    LEU   80  17.84 +/- 4.54   0.831% *  0.0299% (0.26   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - HN    LEU   80  21.93 +/- 2.44   0.194% *  0.0932% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.06 +/- 3.35   0.185% *  0.0770% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  20.93 +/- 3.23   0.378% *  0.0239% (0.21   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.51 +/- 3.32   0.183% *  0.0467% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  18.31 +/- 3.87   0.451% *  0.0166% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.29 +/- 2.19   0.173% *  0.0274% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.63 +/- 2.60   0.098% *  0.0137% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.428, support = 0.02, residual support = 0.34:
          HN    GLU-  29 - HN    ALA   34   7.93 +/- 0.66  19.870% * 11.4785% (0.61  1.00   0.02   0.02) =  34.476%  kept
          HN    GLN   30 - HN    ALA   34   5.93 +/- 0.59  47.640% *  3.3143% (0.17  1.00   0.02   1.36) =  23.867%  kept
        T HN    ASP-  86 - HN    ALA   34  19.14 +/- 3.23   1.616% * 42.1332% (0.22 10.00   0.02   0.02) =  10.295%  kept
          HN    VAL   18 - HN    ALA   34  14.31 +/- 1.91   4.445% * 13.7422% (0.72  1.00   0.02   0.02) =   9.234%  kept
          HN    ASP-  86 - HN    LEU   80   9.22 +/- 0.72  14.416% *  3.7738% (0.20  1.00   0.02   0.02) =   8.223%  kept
          HN    GLU-  29 - HN    LEU   80  13.82 +/- 4.19   5.055% * 10.2810% (0.54  1.00   0.02   0.02) =   7.855%  kept
          HN    VAL   18 - HN    LEU   80  18.06 +/- 4.75   2.073% * 12.3085% (0.65  1.00   0.02   0.02) =   3.858%  kept
          HN    GLN   30 - HN    LEU   80  13.87 +/- 4.02   4.885% *  2.9685% (0.16  1.00   0.02   0.02) =   2.192%  kept
    Distance limit 3.84 A violated in 16 structures by 1.83 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.35, support = 0.02, residual support = 0.287:
          HN    GLU-  29 - HN    ALA   34   7.93 +/- 0.66  19.870% * 10.1298% (0.41  1.00   0.02   0.02) =  32.297%  kept
          HN    GLN   30 - HN    ALA   34   5.93 +/- 0.59  47.640% *  2.6057% (0.11  1.00   0.02   1.36) =  19.918%  kept
          HN    VAL   18 - HN    ALA   34  14.31 +/- 1.91   4.445% * 15.4172% (0.63  1.00   0.02   0.02) =  10.996%  kept
          HN    GLU-  29 - HN    LEU   80  13.82 +/- 4.19   5.055% * 12.2517% (0.50  1.00   0.02   0.02) =   9.937%  kept
          HN    ASP-  86 - HN    LEU   80   9.22 +/- 0.72  14.416% *  4.0782% (0.17  1.00   0.02   0.02) =   9.433%  kept
        T HN    ASP-  86 - HN    ALA   34  19.14 +/- 3.23   1.616% * 33.7193% (0.14 10.00   0.02   0.02) =   8.746%  kept
          HN    VAL   18 - HN    LEU   80  18.06 +/- 4.75   2.073% * 18.6466% (0.76  1.00   0.02   0.02) =   6.203%  kept
          HN    GLN   30 - HN    LEU   80  13.87 +/- 4.02   4.885% *  3.1515% (0.13  1.00   0.02   0.02) =   2.470%  kept
    Distance limit 3.82 A violated in 16 structures by 1.85 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.82, residual support = 21.3:
        T HN    ASN   35 - HN    ALA   34   2.73 +/- 0.06  96.594% * 98.3004% (0.54 10.00   4.82  21.35) =  99.988%  kept
        T HN    ASN   35 - HN    LEU   80  19.17 +/- 4.18   0.787% *  1.1889% (0.65 10.00   0.02   0.02) =   0.010%
          HN    ALA   12 - HN    ALA   34  18.21 +/- 4.87   0.745% *  0.1428% (0.78  1.00   0.02   0.02) =   0.001%
          HN    ALA   12 - HN    LEU   80  25.86 +/- 6.56   0.263% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  16.13 +/- 2.20   0.664% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  15.62 +/- 1.66   0.565% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  20.63 +/- 1.58   0.237% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.49 +/- 2.28   0.146% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.936, support = 5.51, residual support = 39.1:
          HN    LYS+  81 - HN    LEU   80   3.19 +/- 0.65  84.300% * 96.3791% (0.94   5.52  39.16) =  99.850%  kept
          HE3   TRP   27 - HN    LEU   80  10.63 +/- 3.82   4.365% *  2.4445% (0.15   0.90   9.37) =   0.131%  kept
          QD    PHE   60 - HN    LEU   80  13.98 +/- 3.11   2.132% *  0.3162% (0.85   0.02   0.02) =   0.008%
          HE3   TRP   27 - HN    ALA   34   8.39 +/- 0.86   6.390% *  0.0450% (0.12   0.02   0.02) =   0.004%
          QD    PHE   60 - HN    ALA   34  16.28 +/- 2.35   0.954% *  0.2614% (0.70   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    ALA   34  19.23 +/- 4.14   0.461% *  0.2889% (0.78   0.02   0.02) =   0.002%
          HN    LYS+  66 - HN    ALA   34  17.32 +/- 2.04   0.828% *  0.1198% (0.32   0.02   0.02) =   0.001%
          HN    LYS+  66 - HN    LEU   80  18.41 +/- 1.50   0.569% *  0.1449% (0.39   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.463, support = 1.81, residual support = 2.54:
          HG2   LYS+ 111 - HN    GLU- 114   5.66 +/- 0.96  33.172% * 51.6444% (0.73   0.93   1.54) =  53.247%  kept
          HB2   LYS+ 112 - HN    GLU- 114   4.99 +/- 0.30  43.503% * 33.8321% (0.15   2.88   3.76) =  45.745%  kept
          HB3   PRO   93 - HN    GLU- 114   9.17 +/- 1.93  10.201% *  1.1650% (0.76   0.02   0.02) =   0.369%  kept
          HG3   LYS+ 106 - HN    GLU- 114  13.75 +/- 1.03   2.194% *  2.4490% (0.22   0.14   0.02) =   0.167%  kept
          HB3   ASP-  44 - HN    GLU- 114  13.14 +/- 1.89   3.036% *  1.5245% (1.00   0.02   0.02) =   0.144%  kept
          HB2   LEU   63 - HN    GLU- 114  12.99 +/- 1.88   2.969% *  1.4943% (0.98   0.02   0.02) =   0.138%  kept
          QB    ALA  124 - HN    GLU- 114  16.93 +/- 0.98   1.173% *  1.4712% (0.97   0.02   0.02) =   0.054%
          QB    ALA   84 - HN    GLU- 114  16.79 +/- 1.53   1.267% *  1.2207% (0.80   0.02   0.02) =   0.048%
          HG    LEU   98 - HN    GLU- 114  19.58 +/- 1.46   0.746% *  1.3672% (0.90   0.02   0.02) =   0.032%
          HB3   LEU   80 - HN    GLU- 114  21.33 +/- 2.18   0.625% *  1.4073% (0.92   0.02   0.02) =   0.027%
          HB2   LEU   31 - HN    GLU- 114  25.06 +/- 1.76   0.360% *  1.2207% (0.80   0.02   0.02) =   0.014%
          HG2   LYS+  99 - HN    GLU- 114  22.37 +/- 1.55   0.509% *  0.6835% (0.45   0.02   0.02) =   0.011%
          HG2   LYS+  38 - HN    GLU- 114  28.60 +/- 2.62   0.246% *  0.5200% (0.34   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    462
      with multiple volume contributions     :    501
      eliminated by violation filter         :     34
 
    Peaks:
      selected                               :   1094
      without assignment                     :     48
      with assignment                        :   1046
      with unique assignment                 :    570
      with multiple assignment               :    476
      with reference assignment              :    129
      with identical reference assignment    :    110
      with compatible reference assignment   :     19
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    917
 
    Atoms with eliminated volume contribution > 2.5:
    HN    LEU   80       2.8
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.752, support = 3.62, residual support = 46.8:
    * O T HG2   MET   11 - HA    MET   11   3.51 +/- 0.56  32.424% * 70.8328% (1.00  10.0 10.00   4.00  47.75) =  59.261%  kept
      O T HB2   GLU-  14 - HA    GLU-  14   2.75 +/- 0.20  56.793% * 27.7351% (0.39  10.0 10.00   3.09  45.49) =  40.644%  kept
        T HB2   GLU-  14 - HA    MET   11   9.94 +/- 1.82   2.726% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.050%
        T HG2   MET   11 - HA    GLU-  14   9.42 +/- 2.60   6.120% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.044%
          HB2   PRO   68 - HA    MET   11  21.14 +/- 5.18   0.670% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  30.51 +/- 5.85   0.081% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  25.70 +/- 5.00   0.158% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  29.05 +/- 4.42   0.076% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.40 +/- 3.45   0.178% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  33.87 +/- 6.31   0.052% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  15.30 +/- 2.22   0.416% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  31.18 +/- 5.70   0.071% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.15 +/- 4.11   0.066% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.24 +/- 3.99   0.088% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  35.84 +/- 5.38   0.036% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  30.48 +/- 3.01   0.046% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.805, support = 3.72, residual support = 47.0:
    * O T HG3   MET   11 - HA    MET   11   3.20 +/- 0.69  39.997% * 72.0852% (1.00  10.0 10.00   4.00  47.75) =  69.080%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.86 +/- 0.19  48.094% * 26.7596% (0.37  10.0 10.00   3.09  45.49) =  30.835%  kept
        T HG3   MET   11 - HA    GLU-  14   9.65 +/- 2.52   7.980% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.054%
        T HB3   GLU-  14 - HA    MET   11  10.14 +/- 1.93   1.815% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.030%
          HB3   GLN   30 - HA    MET   11  18.23 +/- 5.06   0.339% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.14 +/- 5.09   0.184% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.87 +/- 2.96   0.707% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.72 +/- 3.69   0.273% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  27.50 +/- 4.61   0.093% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.97 +/- 5.65   0.059% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.23 +/- 3.21   0.265% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.74 +/- 3.57   0.101% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  33.95 +/- 6.64   0.041% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.59 +/- 3.64   0.050% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.815, support = 3.78, residual support = 46.5:
    * O T HA    MET   11 - HG2   MET   11   3.51 +/- 0.56  24.312% * 79.8673% (1.00  10.0 10.00   4.00  47.75) =  77.251%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.75 +/- 0.20  41.813% * 12.2958% (0.15  10.0 10.00   3.09  45.49) =  20.454%  kept
          HA    ALA   12 - HG2   MET   11   5.12 +/- 0.94   8.873% *  6.1350% (0.53   1.0  1.00   2.92  11.97) =   2.166%  kept
        T HA    GLU-  14 - HG2   MET   11   9.42 +/- 2.60   4.577% *  0.3283% (0.41   1.0 10.00   0.02   0.02) =   0.060%
          HA    ALA   12 - HB2   GLU-  14   7.19 +/- 1.31   4.039% *  0.2624% (0.20   1.0  1.00   0.33   0.02) =   0.042%
        T HA    MET   11 - HB2   GLU-  14   9.94 +/- 1.82   1.918% *  0.2991% (0.37   1.0 10.00   0.02   0.02) =   0.023%
          HA1   GLY   51 - HB2   ARG+  54   5.25 +/- 0.84   8.848% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HG2   MET   11  29.27 +/- 7.78   0.211% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HG2   MET   11  26.09 +/- 5.95   0.150% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.08 +/- 5.58   0.197% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.89 +/- 4.19   0.460% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  27.14 +/- 7.48   0.105% *  0.0452% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  30.51 +/- 5.85   0.059% *  0.0772% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.37 +/- 6.02   0.055% *  0.0737% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.42 +/- 2.60   0.497% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  25.70 +/- 5.00   0.111% *  0.0317% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  21.18 +/- 3.52   0.110% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  35.14 +/- 7.66   0.037% *  0.0783% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.55 +/- 4.17   0.358% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.42 +/- 4.72   0.092% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   8.16 +/- 0.92   1.896% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.31 +/- 3.58   0.071% *  0.0276% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  23.46 +/- 5.44   0.099% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  32.18 +/- 6.58   0.050% *  0.0300% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.84 +/- 4.75   0.332% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  33.98 +/- 7.47   0.036% *  0.0389% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.08 +/- 4.66   0.034% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  27.41 +/- 4.33   0.060% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.37 +/- 3.60   0.095% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  28.39 +/- 4.90   0.057% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.88 +/- 3.28   0.078% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.81 +/- 4.81   0.040% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  22.50 +/- 4.13   0.116% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  25.94 +/- 4.78   0.085% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.77 +/- 3.77   0.074% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  29.23 +/- 5.19   0.055% *  0.0041% (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 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.864, support = 3.29, residual support = 46.6:
    * O T QB    MET   11 - HG2   MET   11   2.32 +/- 0.14  45.540% * 66.1248% (1.00  10.0 10.00   3.31  47.75) =  82.563%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.41 +/- 0.14  40.609% * 14.0193% (0.21  10.0 10.00   3.28  45.49) =  15.609%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.64 +/- 0.70   3.608% * 17.9811% (0.27   1.0 10.00   2.33   1.58) =   1.779%  kept
        T QG    GLU-  14 - HG2   MET   11   8.80 +/- 2.18   2.244% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.023%
        T QG    GLU-  15 - HG2   MET   11  10.76 +/- 2.05   0.879% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.012%
        T QB    MET   11 - HB2   GLU-  14   8.71 +/- 1.89   1.508% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   GLU-  36 - HG2   MET   11  19.51 +/- 6.58   0.233% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HB2   GLU-  14  16.01 +/- 5.52   0.580% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG2   MET   11  24.27 +/- 5.77   0.120% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  13.58 +/- 4.27   1.975% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  19.88 +/- 4.80   0.140% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.47 +/- 4.53   0.096% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  22.97 +/- 4.75   0.107% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  14.38 +/- 3.16   0.298% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  26.90 +/- 5.30   0.049% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.02 +/- 2.07   0.301% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  19.24 +/- 3.31   0.108% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.58 +/- 2.96   0.376% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  25.32 +/- 7.28   0.087% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  33.61 +/- 7.27   0.052% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  31.85 +/- 6.83   0.031% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.35 +/- 5.20   0.099% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.70 +/- 3.98   0.175% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  31.01 +/- 4.37   0.023% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  18.04 +/- 3.43   0.175% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.82 +/- 1.25   0.231% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  33.13 +/- 4.16   0.018% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.24 +/- 4.27   0.032% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  29.48 +/- 3.90   0.027% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.52 +/- 4.09   0.170% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.53 +/- 3.19   0.035% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  29.63 +/- 4.33   0.029% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.35 +/- 3.67   0.046% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 47.2:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  48.757% * 72.5786% (1.00  10.0 10.00   3.99  47.75) =  73.834%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  48.758% * 25.7103% (0.35  10.0 10.00   3.00  45.49) =  26.155%  kept
        T HB3   GLU-  14 - HG2   MET   11   9.87 +/- 2.19   0.476% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   MET   11 - HB2   GLU-  14   9.95 +/- 2.28   0.550% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   58 - HG2   MET   11  27.13 +/- 4.59   0.020% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  22.21 +/- 4.16   0.043% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  18.18 +/- 5.45   0.167% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  26.13 +/- 5.13   0.029% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.82 +/- 3.31   0.284% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  30.75 +/- 6.19   0.016% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  29.01 +/- 6.11   0.020% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  22.91 +/- 5.60   0.036% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  11.76 +/- 1.72   0.237% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.96 +/- 3.68   0.368% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  17.55 +/- 3.67   0.066% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  24.02 +/- 4.07   0.025% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  34.11 +/- 7.03   0.017% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  23.21 +/- 3.22   0.027% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.69 +/- 2.75   0.052% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  29.94 +/- 4.04   0.012% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  23.56 +/- 4.84   0.041% *  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 = 0.866, support = 3.84, residual support = 46.6:
    * O T HA    MET   11 - HG3   MET   11   3.20 +/- 0.69  34.256% * 80.7127% (1.00  10.0 10.00   4.00  47.75) =  83.319%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.86 +/- 0.19  40.329% * 11.7806% (0.15  10.0 10.00   3.09  45.49) =  14.317%  kept
          HA    ALA   12 - HG3   MET   11   5.17 +/- 1.06  12.170% *  6.2225% (0.53   1.0  1.00   2.93  11.97) =   2.282%  kept
        T HA    GLU-  14 - HG3   MET   11   9.65 +/- 2.52   6.608% *  0.3318% (0.41   1.0 10.00   0.02   0.02) =   0.066%
        T HA    MET   11 - HB3   GLU-  14  10.14 +/- 1.93   1.523% *  0.2866% (0.36   1.0 10.00   0.02   0.02) =   0.013%
          HA    ALA   12 - HB3   GLU-  14   7.30 +/- 1.14   3.119% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   GLU-  14  14.60 +/- 4.41   0.652% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  20.41 +/- 5.28   0.175% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  29.39 +/- 7.66   0.084% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  26.44 +/- 5.78   0.074% *  0.0805% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  27.07 +/- 7.40   0.088% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  21.09 +/- 3.42   0.131% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  29.68 +/- 5.78   0.046% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  24.06 +/- 3.71   0.086% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  35.24 +/- 7.44   0.027% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.37 +/- 4.38   0.074% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.37 +/- 5.17   0.118% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  34.06 +/- 7.28   0.032% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  32.65 +/- 6.56   0.039% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  30.97 +/- 4.63   0.041% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  28.45 +/- 4.90   0.069% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  29.64 +/- 4.84   0.051% *  0.0139% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  22.43 +/- 4.19   0.156% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  28.04 +/- 4.01   0.050% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.835, support = 3.28, residual support = 46.4:
    * O T QB    MET   11 - HG3   MET   11   2.45 +/- 0.13  41.001% * 67.3911% (1.00  10.0 10.00   3.31  47.75) =  79.195%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.32 +/- 0.13  48.263% * 13.5457% (0.20  10.0 10.00   3.28  45.49) =  18.738%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.60 +/- 0.73   4.052% * 17.3737% (0.26   1.0 10.00   2.17   1.58) =   2.018%  kept
        T QG    GLU-  14 - HG3   MET   11   8.94 +/- 2.13   1.640% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.018%
        T QG    GLU-  15 - HG3   MET   11  11.11 +/- 2.12   1.011% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.014%
        T QB    MET   11 - HB3   GLU-  14   8.81 +/- 1.92   1.977% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   GLU-  36 - HB3   GLU-  14  15.74 +/- 5.74   0.718% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLU-  36 - HG3   MET   11  19.54 +/- 6.28   0.206% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HG3   MET   11  20.31 +/- 4.68   0.146% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  24.65 +/- 5.62   0.101% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  14.21 +/- 2.88   0.294% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  25.30 +/- 7.21   0.096% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  19.18 +/- 3.21   0.106% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  33.86 +/- 7.26   0.054% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  32.00 +/- 6.58   0.033% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.25 +/- 4.98   0.096% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  31.44 +/- 4.18   0.024% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  28.21 +/- 4.18   0.033% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  26.42 +/- 3.11   0.041% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  29.99 +/- 3.82   0.028% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.55 +/- 4.38   0.029% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  24.24 +/- 3.69   0.053% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.73, residual support = 47.2:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.314% * 71.8618% (1.00  10.0 10.00   3.99  47.75) =  73.834%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.314% * 25.4564% (0.35  10.0 10.00   3.00  45.49) =  26.155%  kept
        T HB2   GLU-  14 - HG3   MET   11   9.95 +/- 2.28   0.556% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   MET   11 - HB3   GLU-  14   9.87 +/- 2.19   0.482% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   PRO   58 - HG3   MET   11  29.27 +/- 4.26   0.014% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  34.14 +/- 6.55   0.010% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  30.75 +/- 6.19   0.016% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  21.30 +/- 5.15   0.071% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  26.13 +/- 5.13   0.029% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.78 +/- 3.99   0.036% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  16.01 +/- 2.66   0.094% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  31.58 +/- 5.86   0.014% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.61 +/- 4.16   0.013% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  26.61 +/- 4.34   0.020% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  36.19 +/- 5.27   0.007% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  30.65 +/- 3.21   0.010% *  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 = 0.88, support = 3.37, residual support = 46.5:
    * O T HA    MET   11 - QB    MET   11   2.35 +/- 0.15  36.674% * 74.9849% (1.00  10.0 10.00   3.37  47.75) =  85.772%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.37 +/- 0.41  37.978% * 10.0041% (0.13  10.0 10.00   3.56  45.49) =  11.850%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.94 +/- 0.96   6.088% *  7.4319% (0.10   1.0 10.00   2.47   1.58) =   1.411%  kept
          HA    ALA   12 - QB    MET   11   4.20 +/- 0.25   6.514% *  4.5681% (0.53   1.0  1.00   2.32  11.97) =   0.928%  kept
        T HA    GLU-  14 - QB    MET   11   8.42 +/- 1.80   2.057% *  0.3083% (0.41   1.0 10.00   0.02   0.02) =   0.020%
        T HA    MET   11 - QG    GLU-  14   8.94 +/- 1.51   0.920% *  0.2433% (0.32   1.0 10.00   0.02   0.02) =   0.007%
        T HA    MET   11 - QG    GLU-  15  11.39 +/- 1.83   0.480% *  0.1808% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T HA    ASP-  44 - QB    MET   11  23.10 +/- 5.25   0.100% *  0.7482% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  79 - QB    MET   11  23.86 +/- 6.76   0.124% *  0.4245% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  44 - QG    GLU-  14  18.56 +/- 3.44   0.110% *  0.2428% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.67 +/- 0.73   1.844% *  0.0128% (0.17   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.22 +/- 2.87   0.123% *  0.1804% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   39 - QG    GLU-  15   9.94 +/- 4.73   2.076% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    MET   11  25.78 +/- 6.91   0.168% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.21 +/- 1.63   0.821% *  0.0095% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.80 +/- 4.82   0.126% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.52 +/- 3.60   0.326% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  24.56 +/- 4.45   0.065% *  0.0529% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  16.14 +/- 5.20   0.791% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.02 +/- 5.42   0.040% *  0.0692% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  21.89 +/- 4.32   0.144% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  18.51 +/- 6.38   0.481% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  31.04 +/- 6.72   0.029% *  0.0735% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.57 +/- 1.26   0.462% *  0.0045% (0.06   1.0  1.00   0.02   0.80) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.07 +/- 4.24   0.081% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.92 +/- 4.26   0.109% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.15 +/- 5.03   0.124% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  19.50 +/- 6.16   0.149% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.56 +/- 3.43   0.061% *  0.0225% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  29.99 +/- 6.58   0.030% *  0.0365% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  20.83 +/- 4.46   0.104% *  0.0102% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  28.60 +/- 5.68   0.031% *  0.0281% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.17 +/- 4.44   0.034% *  0.0239% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.78 +/- 2.20   0.080% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.40 +/- 3.77   0.031% *  0.0177% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  26.79 +/- 4.61   0.057% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  24.94 +/- 4.55   0.057% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.08 +/- 4.55   0.040% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  24.56 +/- 4.62   0.068% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  24.41 +/- 3.49   0.038% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  19.85 +/- 4.08   0.104% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.59 +/- 1.35   0.041% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.04 +/- 4.06   0.036% *  0.0088% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  18.90 +/- 2.88   0.091% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  28.06 +/- 3.01   0.023% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  25.10 +/- 3.76   0.035% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  35.17 +/- 2.96   0.012% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.61 +/- 3.35   0.025% *  0.0014% (0.02   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 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 = 0.839, support = 3.29, residual support = 46.6:
    * O T HG2   MET   11 - QB    MET   11   2.32 +/- 0.14  46.714% * 62.8007% (1.00  10.0 10.00   3.31  47.75) =  76.434%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.41 +/- 0.14  41.648% * 20.3350% (0.32  10.0 10.00   3.28  45.49) =  22.066%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.64 +/- 0.70   3.700% * 15.1066% (0.24   1.0 10.00   2.33   1.58) =   1.456%  kept
        T HB2   GLU-  14 - QB    MET   11   8.71 +/- 1.89   1.546% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.025%
        T HG2   MET   11 - QG    GLU-  14   8.80 +/- 2.18   2.301% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.012%
        T HG2   MET   11 - QG    GLU-  15  10.76 +/- 2.05   0.902% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  14 - HG3   GLU-  36  16.01 +/- 5.52   0.594% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HG3   GLU-  36  19.51 +/- 6.58   0.240% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  26.90 +/- 5.30   0.050% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  18.51 +/- 4.64   0.253% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  22.97 +/- 4.75   0.109% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  25.50 +/- 4.06   0.048% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  11.96 +/- 2.31   0.635% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  22.47 +/- 4.53   0.098% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  21.10 +/- 3.97   0.117% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  29.90 +/- 5.73   0.032% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  30.19 +/- 2.82   0.023% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  14.63 +/- 2.35   0.282% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  20.18 +/- 2.39   0.084% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  27.67 +/- 5.38   0.047% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.21 +/- 3.29   0.014% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  26.03 +/- 3.82   0.042% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.32 +/- 4.08   0.052% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  23.36 +/- 4.26   0.072% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  22.52 +/- 3.22   0.064% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.99 +/- 4.14   0.167% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  33.13 +/- 4.16   0.019% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  31.75 +/- 4.92   0.023% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  27.25 +/- 3.32   0.034% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.34 +/- 3.12   0.042% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  29.73 +/- 2.52   0.024% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  29.57 +/- 1.97   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 = 0.806, support = 3.28, residual support = 46.4:
    * O T HG3   MET   11 - QB    MET   11   2.45 +/- 0.13  39.420% * 64.2177% (1.00  10.0 10.00   3.31  47.75) =  72.225%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.32 +/- 0.13  46.401% * 19.7139% (0.31  10.0 10.00   3.28  45.49) =  26.098%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.60 +/- 0.73   3.896% * 14.6452% (0.23   1.0 10.00   2.17   1.58) =   1.628%  kept
        T HB3   GLU-  14 - QB    MET   11   8.81 +/- 1.92   1.901% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.033%
        T HG3   MET   11 - QG    GLU-  14   8.94 +/- 2.13   1.576% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   MET   11 - QG    GLU-  15  11.11 +/- 2.12   0.972% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   GLU-  14 - HG3   GLU-  36  15.74 +/- 5.74   0.690% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HG3   GLU-  36  19.54 +/- 6.28   0.198% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  16.19 +/- 4.65   0.628% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.07 +/- 2.99   0.894% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  12.37 +/- 3.87   0.618% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.68 +/- 5.40   0.067% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.07 +/- 3.43   0.997% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.31 +/- 4.94   0.126% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.19 +/- 3.94   0.039% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.64 +/- 4.12   0.213% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  24.13 +/- 4.21   0.065% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.63 +/- 2.85   0.040% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.83 +/- 3.19   0.199% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.35 +/- 3.53   0.116% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  21.11 +/- 3.90   0.087% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  30.19 +/- 6.12   0.057% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.85 +/- 2.64   0.128% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.31 +/- 1.22   0.209% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  12.01 +/- 1.08   0.364% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  22.26 +/- 1.56   0.054% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  28.79 +/- 3.13   0.027% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.44 +/- 1.71   0.017% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.01  96.014% * 99.1918% (0.82  10.0 10.00   2.00  12.42) =  99.997%  kept
          HG3   LYS+  33 - HA    ALA   12  16.03 +/- 5.28   1.745% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    ALA   12  18.81 +/- 4.24   0.627% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    ALA   12  17.89 +/- 4.90   0.746% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  17.82 +/- 4.20   0.339% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.99 +/- 3.59   0.112% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  23.25 +/- 4.51   0.104% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  25.29 +/- 6.22   0.117% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.85 +/- 5.07   0.040% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  31.41 +/- 4.42   0.039% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  31.09 +/- 3.79   0.036% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  31.46 +/- 3.97   0.035% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  29.72 +/- 4.33   0.045% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.816, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.01  81.934% * 94.5807% (0.82  10.0 10.00   2.00  12.42) =  99.264%  kept
          HA    MET   11 - QB    ALA   12   3.93 +/- 0.28  13.412% *  3.9061% (0.24   1.0  1.00   2.87  11.97) =   0.671%  kept
          HA    GLU-  14 - QB    ALA   12   6.08 +/- 0.77   4.154% *  1.2227% (0.89   1.0  1.00   0.24   0.02) =   0.065%
          HA    LEU  104 - QB    ALA   12  25.09 +/- 3.05   0.058% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  27.50 +/- 5.11   0.057% *  0.0978% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  20.83 +/- 3.59   0.131% *  0.0243% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  23.36 +/- 5.35   0.147% *  0.0191% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.51 +/- 4.73   0.055% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  28.47 +/- 5.05   0.051% *  0.0191% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.858, support = 2.12, residual support = 12.9:
    * O T QB    SER   13 - HA    SER   13   2.43 +/- 0.14  48.889% * 63.6107% (1.00  10.0 10.00   1.93   6.12) =  71.203%  kept
      O T HB3   SER   37 - HA    SER   37   2.67 +/- 0.27  38.794% * 32.1540% (0.51  10.0 10.00   2.58  29.80) =  28.560%  kept
          HB    THR   39 - HA    SER   37   5.93 +/- 0.97   4.686% *  2.0291% (0.53   1.0  1.00   1.20   4.21) =   0.218%  kept
        T HB3   SER   37 - HA    SER   13  14.21 +/- 4.57   0.653% *  0.6017% (0.95   1.0 10.00   0.02   0.02) =   0.009%
        T QB    SER   13 - HA    SER   37  13.99 +/- 4.50   0.668% *  0.3399% (0.53   1.0 10.00   0.02   0.02) =   0.005%
          HA    ILE   89 - HA    THR   46   9.78 +/- 1.90   2.322% *  0.0364% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER   13 - HA    THR   46  23.24 +/- 3.30   0.073% *  0.3850% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  15.18 +/- 3.75   0.349% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.58 +/- 2.36   0.055% *  0.3642% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.45 +/- 3.98   0.833% *  0.0177% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46  10.15 +/- 2.03   1.004% *  0.0131% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  13.70 +/- 1.72   0.312% *  0.0234% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.17 +/- 2.08   0.199% *  0.0334% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.64 +/- 1.35   0.668% *  0.0095% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  20.92 +/- 1.94   0.088% *  0.0384% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  28.27 +/- 4.72   0.042% *  0.0552% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  24.57 +/- 3.27   0.059% *  0.0295% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  31.43 +/- 4.12   0.029% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.81 +/- 3.25   0.037% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.57 +/- 3.58   0.057% *  0.0206% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.38 +/- 1.54   0.035% *  0.0322% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.41 +/- 1.93   0.092% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  30.66 +/- 4.45   0.033% *  0.0217% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.12 +/- 3.61   0.023% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.86, support = 2.12, residual support = 13.1:
    * O T HA    SER   13 - QB    SER   13   2.43 +/- 0.14  46.809% * 63.8850% (1.00  10.0 10.00   1.93   6.12) =  70.379%  kept
      O T HA    SER   37 - HB3   SER   37   2.67 +/- 0.27  37.193% * 33.8056% (0.53  10.0 10.00   2.58  29.80) =  29.591%  kept
        T HA    SER   13 - HB3   SER   37  14.21 +/- 4.57   0.621% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.009%
        T HA    SER   37 - QB    SER   13  13.99 +/- 4.50   0.635% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - QB    SER   13   6.49 +/- 1.10   3.345% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HA    GLU-  15 - HB3   SER   37  10.81 +/- 5.11   3.310% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU   40 - HB3   SER   37   8.80 +/- 1.04   1.352% *  0.0565% (0.88   1.0  1.00   0.02   0.48) =   0.002%
          HA    GLN   17 - QB    SER   13   9.57 +/- 1.85   1.265% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HB3   SER   37   6.43 +/- 0.63   2.888% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  23.24 +/- 3.30   0.070% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.58 +/- 2.36   0.052% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  13.73 +/- 3.94   0.568% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.00 +/- 3.53   0.193% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.88 +/- 2.94   0.111% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  16.84 +/- 4.65   0.426% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37  11.88 +/- 2.22   0.693% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.92 +/- 3.18   0.074% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  23.64 +/- 7.24   0.100% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  23.48 +/- 5.03   0.091% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  20.36 +/- 3.70   0.110% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.02 +/- 2.84   0.056% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  27.32 +/- 2.92   0.038% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.888, support = 3.25, residual support = 45.9:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.75 +/- 0.20  55.204% * 70.8449% (1.00  10.0 10.00   3.09  45.49) =  81.643%  kept
      O T HG2   MET   11 - HA    MET   11   3.51 +/- 0.56  31.518% * 27.7398% (0.39  10.0 10.00   4.00  47.75) =  18.252%  kept
        T HG2   MET   11 - HA    GLU-  14   9.42 +/- 2.60   5.952% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.088%
        T HB2   GLU-  14 - HA    MET   11   9.94 +/- 1.82   2.649% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.015%
          QB    GLN   32 - HA    GLU-  14  15.66 +/- 4.24   1.721% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  25.70 +/- 5.00   0.154% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  23.40 +/- 3.45   0.174% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  15.30 +/- 2.22   0.404% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  21.14 +/- 5.18   0.651% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  18.32 +/- 5.61   1.154% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.15 +/- 4.11   0.064% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  30.51 +/- 5.85   0.079% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  26.24 +/- 3.99   0.085% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  29.05 +/- 4.42   0.073% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  33.87 +/- 6.31   0.051% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  31.18 +/- 5.70   0.069% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.874, support = 3.41, residual support = 40.9:
    * O T QG    GLU-  14 - HA    GLU-  14   2.37 +/- 0.41  44.322% * 45.0668% (1.00  10.0 10.00   3.56  45.49) =  72.982%  kept
      O T QB    MET   11 - HA    MET   11   2.35 +/- 0.15  42.826% * 10.0127% (0.22  10.0 10.00   3.37  47.75) =  15.668%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.94 +/- 0.96   7.120% * 43.4925% (0.97   1.0 10.00   2.47   1.58) =  11.314%  kept
        T QB    MET   11 - HA    GLU-  14   8.42 +/- 1.80   2.397% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.022%
        T QG    GLU-  14 - HA    MET   11   8.94 +/- 1.51   1.074% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.007%
        T QG    GLU-  15 - HA    MET   11  11.39 +/- 1.83   0.561% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   ASP-  44 - HA    GLU-  14  18.83 +/- 3.11   0.105% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP-  44 - HA    MET   11  24.38 +/- 5.30   0.077% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  14.05 +/- 2.34   0.246% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  15.93 +/- 3.90   0.418% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  18.22 +/- 6.57   0.535% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.11 +/- 4.31   0.121% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  23.84 +/- 3.37   0.046% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  28.03 +/- 3.88   0.030% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  31.55 +/- 6.36   0.030% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  29.74 +/- 4.31   0.026% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  29.25 +/- 3.73   0.027% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  33.46 +/- 6.74   0.041% *  0.0039% (0.09   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 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.925, support = 3.15, residual support = 45.2:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.75 +/- 0.20  47.518% * 80.7269% (1.00  10.0 10.00   3.09  45.49) =  90.698%  kept
      O T HA    MET   11 - HG2   MET   11   3.51 +/- 0.56  27.436% * 12.4281% (0.15  10.0 10.00   4.00  47.75) =   8.062%  kept
          HA    ALA   12 - HG2   MET   11   5.12 +/- 0.94  10.176% *  4.3263% (0.37   1.0  1.00   2.92  11.97) =   1.041%  kept
          HA    ALA   12 - HB2   GLU-  14   7.19 +/- 1.31   4.617% *  1.3193% (0.98   1.0  1.00   0.33   0.02) =   0.144%  kept
        T HA    GLU-  14 - HG2   MET   11   9.42 +/- 2.60   5.168% *  0.3023% (0.37   1.0 10.00   0.02   0.02) =   0.037%
        T HA    MET   11 - HB2   GLU-  14   9.94 +/- 1.82   2.190% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.017%
        T HA    GLU-  14 - HB2   ARG+  54  25.70 +/- 5.00   0.127% *  0.1187% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.92 +/- 2.71   0.061% *  0.0646% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  21.18 +/- 3.52   0.126% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.81 +/- 4.81   0.047% *  0.0800% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  30.51 +/- 5.85   0.067% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.42 +/- 4.72   0.104% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.42 +/- 2.60   0.562% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  29.27 +/- 7.78   0.238% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.09 +/- 5.95   0.170% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.55 +/- 4.17   0.417% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.31 +/- 3.58   0.082% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  33.98 +/- 7.47   0.042% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.18 +/- 4.47   0.042% *  0.0242% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.08 +/- 4.66   0.040% *  0.0249% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.77 +/- 3.77   0.084% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  25.11 +/- 3.22   0.088% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  29.23 +/- 5.19   0.062% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  29.42 +/- 4.54   0.047% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.37 +/- 6.02   0.062% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  35.14 +/- 7.66   0.042% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.88 +/- 3.28   0.088% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.37 +/- 3.60   0.107% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  23.24 +/- 3.89   0.150% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  33.95 +/- 6.97   0.042% *  0.0041% (0.05   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 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 = 0.856, support = 3.22, residual support = 43.0:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.41 +/- 0.14  39.802% * 45.4322% (1.00  10.0 10.00   3.28  45.49) =  75.529%  kept
      O T QB    MET   11 - HG2   MET   11   2.32 +/- 0.14  44.622% *  9.6322% (0.21  10.0 10.00   3.31  47.75) =  17.952%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.64 +/- 0.70   3.537% * 43.8452% (0.97   1.0 10.00   2.33   1.58) =   6.478%  kept
        T QB    MET   11 - HB2   GLU-  14   8.71 +/- 1.89   1.478% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.016%
        T QG    GLU-  14 - HG2   MET   11   8.80 +/- 2.18   2.201% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.016%
        T QG    GLU-  15 - HG2   MET   11  10.76 +/- 2.05   0.862% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.006%
        T HG12  ILE  119 - HB2   ARG+  54  14.02 +/- 2.07   0.296% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HB2   GLU-  14  15.66 +/- 4.16   0.951% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB2   GLU-  14  14.38 +/- 3.16   0.292% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HG2   MET   11  18.27 +/- 6.77   1.987% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  22.97 +/- 4.75   0.105% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.47 +/- 4.53   0.094% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  19.24 +/- 3.31   0.106% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  12.83 +/- 4.44   2.421% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  13.58 +/- 2.96   0.369% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  19.88 +/- 4.80   0.137% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  24.27 +/- 5.77   0.117% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  26.90 +/- 5.30   0.048% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.35 +/- 3.67   0.045% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  28.24 +/- 4.27   0.031% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.70 +/- 3.98   0.172% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  18.04 +/- 3.43   0.172% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  31.85 +/- 6.83   0.030% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  29.48 +/- 3.90   0.026% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  29.64 +/- 4.03   0.026% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  33.61 +/- 6.88   0.041% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  27.31 +/- 3.68   0.033% *  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 = 0.896, support = 3.41, residual support = 40.7:
    * O T HA    GLU-  14 - QG    GLU-  14   2.37 +/- 0.41  40.091% * 48.1397% (1.00  10.0 10.00   3.56  45.49) =  78.344%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.94 +/- 0.96   6.421% * 42.3557% (0.88   1.0 10.00   2.47   1.58) =  11.040%  kept
      O T HA    MET   11 - QB    MET   11   2.35 +/- 0.15  38.694% *  6.4226% (0.13  10.0 10.00   3.37  47.75) =  10.088%  kept
          HA    ALA   12 - QB    MET   11   4.20 +/- 0.25   6.873% *  1.7731% (0.32   1.0  1.00   2.32  11.97) =   0.495%  kept
        T HA    GLU-  14 - QB    MET   11   8.42 +/- 1.80   2.170% *  0.1562% (0.32   1.0 10.00   0.02   0.02) =   0.014%
        T HA    MET   11 - QG    GLU-  14   8.94 +/- 1.51   0.970% *  0.1979% (0.41   1.0 10.00   0.02   0.02) =   0.008%
          HA    ALA   12 - QG    GLU-  14   6.67 +/- 0.73   1.945% *  0.0472% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T HA    MET   11 - QG    GLU-  15  11.39 +/- 1.83   0.507% *  0.1741% (0.36   1.0 10.00   0.02   0.02) =   0.004%
          HA    ALA   12 - QG    GLU-  15   9.21 +/- 1.63   0.866% *  0.0415% (0.86   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  14  18.56 +/- 3.44   0.116% *  0.1807% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QG    GLU-  15  17.22 +/- 2.87   0.130% *  0.1590% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ASP-  44 - QB    MET   11  23.10 +/- 5.25   0.105% *  0.0586% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  20.20 +/- 3.68   0.074% *  0.0339% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  21.89 +/- 4.32   0.153% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.08 +/- 4.55   0.042% *  0.0477% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.07 +/- 2.59   0.046% *  0.0385% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.04 +/- 4.06   0.038% *  0.0420% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.07 +/- 4.24   0.086% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.92 +/- 4.26   0.116% *  0.0094% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  25.78 +/- 6.91   0.178% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.56 +/- 3.43   0.064% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.17 +/- 4.44   0.036% *  0.0149% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  29.99 +/- 6.58   0.031% *  0.0155% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.40 +/- 3.77   0.033% *  0.0131% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  27.61 +/- 4.09   0.028% *  0.0125% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  25.81 +/- 4.28   0.045% *  0.0065% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  24.42 +/- 3.71   0.039% *  0.0057% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.02 +/- 5.42   0.043% *  0.0035% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  31.04 +/- 6.72   0.030% *  0.0048% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  30.03 +/- 6.09   0.030% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.858, support = 3.22, residual support = 43.5:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.32 +/- 0.13  48.375% * 45.1588% (1.00  10.0 10.00   3.28  45.49) =  74.889%  kept
      O T HG3   MET   11 - QB    MET   11   2.45 +/- 0.13  41.096% * 13.8631% (0.31  10.0 10.00   3.31  47.75) =  19.531%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.60 +/- 0.73   4.061% * 39.7329% (0.88   1.0 10.00   2.17   1.58) =   5.532%  kept
        T HG3   MET   11 - QG    GLU-  14   8.94 +/- 2.13   1.643% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.024%
        T HG3   MET   11 - QG    GLU-  15  11.11 +/- 2.12   1.013% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   GLU-  14 - QB    MET   11   8.81 +/- 1.92   1.982% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.010%
          HB2   LEU   40 - QG    GLU-  15  12.37 +/- 3.87   0.644% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.83 +/- 3.19   0.208% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  19.35 +/- 3.53   0.121% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  21.11 +/- 3.90   0.090% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.19 +/- 3.94   0.041% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.64 +/- 4.12   0.222% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.63 +/- 2.85   0.042% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.85 +/- 2.64   0.133% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.31 +/- 4.94   0.131% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.68 +/- 5.40   0.070% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  24.13 +/- 4.21   0.068% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  30.19 +/- 6.12   0.060% *  0.0023% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.993, support = 2.17, residual support = 8.51:
    * O T QG    GLU-  15 - HA    GLU-  15   2.59 +/- 0.49  65.801% * 49.8424% (1.00  10.0 10.00   2.08  10.04) =  81.999%  kept
        T QG    GLU-  14 - HA    GLU-  15   5.05 +/- 0.81  14.926% * 48.1014% (0.97   1.0 10.00   2.59   1.58) =  17.951%  kept
        T QB    MET   11 - HA    GLU-  15  10.49 +/- 1.76   1.670% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.015%
        T QG    GLU-  15 - HA    LEU   40  12.21 +/- 4.16   1.365% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.014%
        T QG    GLU-  14 - HA    LEU   40  15.57 +/- 3.38   0.503% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PHE   72 - HA    LEU   40   7.89 +/- 2.07   4.710% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.004%
        T QG    GLU-  15 - HA    ASN   35  12.54 +/- 4.90   1.526% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.004%
        T QG    GLU-  14 - HA    ASN   35  15.60 +/- 4.27   1.016% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    LEU   40  20.08 +/- 4.96   0.288% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - HA    GLU-  15  11.20 +/- 2.81   1.101% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HA    LEU   40  12.41 +/- 1.21   0.835% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    ASN   35  19.28 +/- 5.11   0.292% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  14.69 +/- 3.75   1.958% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  16.64 +/- 3.08   0.361% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  16.79 +/- 3.35   0.464% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  13.01 +/- 2.26   0.683% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.58 +/- 1.27   0.165% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  21.37 +/- 3.28   0.206% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.38 +/- 1.58   0.434% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  26.47 +/- 3.27   0.079% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.09 +/- 1.48   0.269% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.46 +/- 0.73   0.838% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  23.84 +/- 2.49   0.116% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.48 +/- 3.65   0.145% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.73 +/- 0.92   0.109% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  27.60 +/- 3.05   0.074% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.93 +/- 1.56   0.064% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.06, residual support = 9.69:
    * O T QB    GLU-  15 - HA    GLU-  15   2.40 +/- 0.14  65.858% * 70.6987% (1.00  10.0 10.00   3.14  10.04) =  96.497%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.53 +/- 0.64   6.323% * 26.4458% (1.00   1.0 10.00   0.75   0.02) =   3.465%  kept
        T QB    GLU-  15 - HA    LEU   40  13.04 +/- 3.88   1.078% *  0.5717% (0.81   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   PRO   68 - HA    GLU-  15  13.31 +/- 2.46   0.536% *  0.5661% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T HB3   PRO   68 - HA    LEU   40  12.77 +/- 1.94   0.647% *  0.4578% (0.65   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   GLN   17 - HA    LEU   40  15.26 +/- 2.62   0.334% *  0.5717% (0.81   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLU-  15   7.81 +/- 1.52   3.640% *  0.0400% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    GLU-  15  10.74 +/- 2.88   1.353% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    LEU   40   8.05 +/- 1.99   3.053% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    LEU   40  12.92 +/- 3.04   0.716% *  0.0324% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   8.23 +/- 3.81   7.070% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.26 +/- 1.77   0.698% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.14 +/- 3.00   1.217% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.06 +/- 1.87   0.637% *  0.0235% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.14 +/- 2.78   0.218% *  0.0669% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.34 +/- 4.39   1.084% *  0.0131% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  14.05 +/- 1.68   0.373% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.70 +/- 1.97   0.967% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  18.29 +/- 2.69   0.190% *  0.0370% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.97 +/- 1.17   0.119% *  0.0541% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  23.29 +/- 2.85   0.100% *  0.0567% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.36 +/- 1.22   0.721% *  0.0054% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  28.77 +/- 3.83   0.054% *  0.0701% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  24.31 +/- 3.14   0.077% *  0.0457% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  17.93 +/- 3.39   0.301% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  14.51 +/- 2.71   0.402% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  20.28 +/- 5.29   0.189% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  17.88 +/- 2.87   0.225% *  0.0131% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  18.22 +/- 3.68   0.213% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.33 +/- 0.84   0.889% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.46 +/- 1.15   0.154% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.69 +/- 3.22   0.273% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  22.43 +/- 3.79   0.101% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  24.19 +/- 2.59   0.072% *  0.0085% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.74 +/- 2.81   0.041% *  0.0130% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.92 +/- 4.03   0.077% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.978, support = 2.16, residual support = 8.61:
    * O T HA    GLU-  15 - QG    GLU-  15   2.59 +/- 0.49  44.060% * 48.5650% (1.00  10.0 10.00   2.08  10.04) =  81.920%  kept
        T HA    GLU-  15 - QG    GLU-  14   5.05 +/- 0.81   9.428% * 42.7299% (0.88   1.0 10.00   2.59   1.58) =  15.423%  kept
          HA    SER   13 - QG    GLU-  14   4.91 +/- 0.79  10.804% *  5.4414% (0.88   1.0  1.00   2.55   6.62) =   2.251%  kept
          HA    SER   13 - QG    GLU-  15   6.83 +/- 1.11   5.867% *  1.5703% (1.00   1.0  1.00   0.65   0.02) =   0.353%  kept
        T HA    LEU   40 - QG    GLU-  15  12.21 +/- 4.16   0.861% *  0.4594% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HA    SER   37 - QG    GLU-  14  13.12 +/- 4.81   5.824% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.005%
        T HA    GLU-  15 - QB    MET   11  10.49 +/- 1.76   1.114% *  0.1171% (0.24   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LEU   40 - QG    GLU-  14  15.57 +/- 3.38   0.313% *  0.4042% (0.83   1.0 10.00   0.02   0.02) =   0.005%
          HA    SER   37 - QG    GLU-  15  10.15 +/- 5.49   4.049% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - QG    GLU-  15  12.54 +/- 4.90   0.940% *  0.1081% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG    GLU-  15   6.73 +/- 0.53   3.618% *  0.0275% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLN   17 - QG    GLU-  14   8.03 +/- 1.52   3.933% *  0.0242% (0.50   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - QG    GLU-  14  15.60 +/- 4.27   0.600% *  0.0951% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    MET   11   6.12 +/- 0.80   4.220% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - QG    GLU-  14  18.44 +/- 4.15   0.619% *  0.0426% (0.88   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - QB    MET   11  20.08 +/- 4.96   0.188% *  0.1108% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG    GLU-  15  17.66 +/- 2.77   0.366% *  0.0485% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ASN   35 - QB    MET   11  19.28 +/- 5.11   0.182% *  0.0261% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  13.24 +/- 3.28   0.713% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  20.11 +/- 5.45   0.267% *  0.0166% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  21.57 +/- 3.18   0.128% *  0.0276% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  20.97 +/- 2.76   0.109% *  0.0314% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  15.71 +/- 4.57   0.379% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.60 +/- 4.07   0.202% *  0.0107% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  22.59 +/- 5.15   0.137% *  0.0146% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  16.65 +/- 5.30   0.259% *  0.0066% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  23.12 +/- 3.75   0.140% *  0.0117% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  21.59 +/- 2.51   0.131% *  0.0121% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.92 +/- 3.65   0.174% *  0.0058% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  25.57 +/- 5.29   0.110% *  0.0076% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  26.68 +/- 5.81   0.107% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  26.91 +/- 3.89   0.061% *  0.0029% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.30 +/- 5.21   0.096% *  0.0016% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.14, residual support = 84.6:
    * O T HB2   GLN   17 - HA    GLN   17   2.69 +/- 0.22  78.593% * 89.8678% (1.00  10.0 10.00   4.17  85.28) =  99.204%  kept
        T QB    GLU-  15 - HA    GLN   17   6.67 +/- 0.49   5.751% *  8.9974% (1.00   1.0 10.00   0.20   0.02) =   0.727%  kept
        T HB3   PRO   68 - HA    GLN   17   9.71 +/- 4.00   6.263% *  0.7196% (0.80   1.0 10.00   0.02   0.02) =   0.063%
          HB    ILE   19 - HA    GLN   17   8.28 +/- 0.48   2.843% *  0.0509% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    GLN   17  10.40 +/- 3.49   2.904% *  0.0437% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    GLN   17  12.26 +/- 1.97   1.162% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HA    GLN   17  20.11 +/- 2.26   0.303% *  0.0850% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  12.23 +/- 1.93   1.191% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  24.75 +/- 4.02   0.153% *  0.0891% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  20.86 +/- 2.84   0.203% *  0.0581% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  18.18 +/- 3.59   0.403% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.78 +/- 3.95   0.232% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.2:
    * O T QG    GLN   17 - HA    GLN   17   2.52 +/- 0.54  93.447% * 98.5118% (0.76  10.0 10.00   4.31  85.28) =  99.944%  kept
        T HB    VAL   70 - HA    GLN   17   8.96 +/- 3.65   4.648% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.054%
          HB2   MET   96 - HA    GLN   17  17.95 +/- 3.90   0.434% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   17  17.41 +/- 4.23   0.531% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  19.96 +/- 3.97   0.361% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  19.49 +/- 2.31   0.291% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  20.24 +/- 2.14   0.288% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.2, support = 3.64, residual support = 49.4:
    * O T HA    GLN   17 - HB2   GLN   17   2.69 +/- 0.22  31.430% * 51.7534% (0.24  10.0 10.00   4.17  85.28) =  52.574%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.40 +/- 0.14  43.029% * 32.8878% (0.15  10.0 10.00   3.14  10.04) =  45.738%  kept
        T HA    GLU-  15 - HB2   GLN   17   5.53 +/- 0.64   4.217% * 10.9602% (0.14   1.0 10.00   0.75   0.02) =   1.494%  kept
        T HA    GLN   17 - HB3   PRO   68   9.71 +/- 4.00   2.612% *  1.2985% (0.61   1.0 10.00   0.02   0.02) =   0.110%  kept
        T HA    GLN   17 - QB    GLU-  15   6.67 +/- 0.49   2.157% *  0.5809% (0.27   1.0 10.00   0.02   0.02) =   0.040%
          HA    SER   37 - QB    GLU-  15  10.57 +/- 5.33   5.338% *  0.0581% (0.27   1.0  1.00   0.02   0.02) =   0.010%
        T HA    GLU-  15 - HB3   PRO   68  13.31 +/- 2.46   0.349% *  0.7351% (0.34   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LEU   40 - HB3   PRO   68  12.77 +/- 1.94   0.398% *  0.4873% (0.23   1.0 10.00   0.02   0.02) =   0.006%
        T HA    LEU   40 - QB    GLU-  15  13.04 +/- 3.88   0.657% *  0.2180% (0.10   1.0 10.00   0.02   0.02) =   0.005%
          HA    SER   13 - QB    GLU-  15   6.10 +/- 0.84   3.230% *  0.0329% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   GLN   17   9.29 +/- 2.19   2.791% *  0.0293% (0.14   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   37 - HB3   PRO   68  16.59 +/- 3.22   0.561% *  0.1298% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LEU   40 - HB2   GLN   17  15.26 +/- 2.62   0.209% *  0.1942% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   GLN   17  15.81 +/- 4.58   0.745% *  0.0518% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   PRO   68  13.66 +/- 1.60   0.260% *  0.0788% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   PRO   68  14.92 +/- 2.50   0.284% *  0.0683% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   GLN   17  15.24 +/- 3.96   0.687% *  0.0272% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   68  19.30 +/- 3.19   0.114% *  0.1287% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  17.11 +/- 3.18   0.168% *  0.0735% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  15.63 +/- 3.39   0.262% *  0.0352% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  15.84 +/- 2.85   0.176% *  0.0314% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  18.12 +/- 3.18   0.169% *  0.0306% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  19.74 +/- 3.63   0.092% *  0.0513% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  21.76 +/- 2.65   0.065% *  0.0576% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.203, support = 4.24, residual support = 79.6:
    * O T QG    GLN   17 - HB2   GLN   17   2.42 +/- 0.10  78.247% * 38.2526% (0.18  10.0 10.00   4.48  85.28) =  93.330%  kept
        T HB    VAL   70 - HB3   PRO   68   7.45 +/- 0.90   3.425% * 52.1622% (0.51   1.0 10.00   0.99   0.02) =   5.571%  kept
        T QG    GLN   17 - QB    GLU-  15   6.05 +/- 0.92   6.544% *  4.2987% (0.21   1.0 10.00   0.20   0.02) =   0.877%  kept
        T QG    GLN   17 - HB3   PRO   68   9.65 +/- 3.60   5.261% *  0.9598% (0.46   1.0 10.00   0.02   0.02) =   0.157%  kept
        T HB    VAL   70 - QB    GLU-  15  11.84 +/- 2.57   1.112% *  0.4693% (0.23   1.0 10.00   0.02   0.02) =   0.016%
        T HB    VAL   70 - HB2   GLN   17  10.82 +/- 2.67   1.210% *  0.4181% (0.20   1.0 10.00   0.02   0.02) =   0.016%
        T HB2   GLU-  25 - HB3   PRO   68  24.20 +/- 5.21   0.299% *  0.8124% (0.39   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   GLU- 100 - HB3   PRO   68  18.46 +/- 3.05   0.258% *  0.8124% (0.39   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   GLU- 100 - QB    GLU-  15  17.59 +/- 5.44   0.455% *  0.3634% (0.18   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  25 - HB2   GLN   17  18.88 +/- 2.97   0.411% *  0.3238% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLU-  25 - QB    GLU-  15  17.51 +/- 2.38   0.263% *  0.3634% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   GLU- 100 - HB2   GLN   17  21.47 +/- 3.90   0.148% *  0.3238% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   PRO   68  16.94 +/- 1.33   0.245% *  0.1245% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   PRO   68  19.32 +/- 3.94   0.354% *  0.0711% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QB    GLU-  15  18.73 +/- 3.89   0.479% *  0.0318% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  17.25 +/- 3.29   0.318% *  0.0428% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  19.19 +/- 3.54   0.234% *  0.0557% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  19.28 +/- 3.23   0.191% *  0.0496% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  17.50 +/- 3.81   0.277% *  0.0283% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  21.35 +/- 2.75   0.150% *  0.0192% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  21.98 +/- 2.10   0.117% *  0.0171% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 4.3, residual support = 85.0:
    * O T HA    GLN   17 - QG    GLN   17   2.52 +/- 0.54  59.143% * 98.3820% (0.76  10.0 10.00   4.31  85.28) =  99.646%  kept
          HA    GLU-  15 - QG    GLN   17   5.40 +/- 1.20  21.235% *  0.9232% (0.43   1.0  1.00   0.33   0.02) =   0.336%  kept
        T HA    GLN   17 - HB    VAL   70   8.96 +/- 3.65   2.609% *  0.2015% (0.16   1.0 10.00   0.02   0.02) =   0.009%
          HA    SER   13 - QG    GLN   17   8.54 +/- 1.73   3.713% *  0.0557% (0.43   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   37 - QG    GLN   17  14.24 +/- 3.72   1.008% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    PRO   58 - QG    GLN   17  13.61 +/- 3.43   1.265% *  0.0518% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    VAL   70   7.51 +/- 1.60   4.123% *  0.0122% (0.09   1.0  1.00   0.02   0.60) =   0.001%
          HA    VAL   42 - QG    GLN   17  14.12 +/- 2.97   0.501% *  0.0597% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG    GLN   17  17.56 +/- 3.98   0.266% *  0.0975% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.86 +/- 0.95   3.077% *  0.0076% (0.06   1.0  1.00   0.02  35.94) =   0.000%
          HA    LEU   40 - QG    GLN   17  13.66 +/- 2.39   0.585% *  0.0369% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  12.05 +/- 2.54   0.810% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  14.11 +/- 1.53   0.434% *  0.0202% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.24 +/- 1.58   0.320% *  0.0200% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  12.75 +/- 1.48   0.597% *  0.0106% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  17.18 +/- 2.60   0.314% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.763, support = 4.48, residual support = 85.1:
    * O T HB2   GLN   17 - QG    GLN   17   2.42 +/- 0.10  64.535% * 95.9708% (0.76  10.0 10.00   4.48  85.28) =  99.835%  kept
        T QB    GLU-  15 - QG    GLN   17   6.05 +/- 0.92   5.402% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.084%
        T HB3   PRO   68 - QG    GLN   17   9.65 +/- 3.60   4.331% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.054%
        T HB3   PRO   68 - HB    VAL   70   7.45 +/- 0.90   2.745% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   GLU-  25 - QG    GLN   17  17.66 +/- 2.49   0.358% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.005%
          HB    ILE   19 - QG    GLN   17   7.36 +/- 1.57   4.374% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.004%
        T HB2   GLN   17 - HB    VAL   70  10.82 +/- 2.67   0.992% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.003%
        T QB    GLU-  15 - HB    VAL   70  11.84 +/- 2.57   0.918% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG    GLN   17  10.41 +/- 3.07   2.198% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HB    VAL   70   6.76 +/- 1.36   7.249% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QG    GLN   17  11.16 +/- 1.74   0.853% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU- 100 - QG    GLN   17  19.77 +/- 3.24   0.155% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLU-  25 - HB    VAL   70  20.57 +/- 1.71   0.118% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.87 +/- 1.95   1.327% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  11.41 +/- 1.75   0.804% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  15.25 +/- 1.95   0.306% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  23.11 +/- 3.42   0.102% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.60 +/- 2.53   0.147% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.38 +/- 3.11   0.495% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.78 +/- 1.71   0.632% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  17.31 +/- 3.28   0.269% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  19.44 +/- 3.35   0.232% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.46 +/- 3.94   0.781% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.97 +/- 1.75   0.678% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.57 +/- 0.30  88.364% * 99.6862% (1.00  10.0 10.00   3.55  76.44) =  99.989%  kept
          HB2   LEU   67 - HA    VAL   18   8.15 +/- 4.23   8.111% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.008%
          HB3   ARG+  54 - HA    VAL   18  18.03 +/- 4.59   1.296% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - HA    VAL   18  12.25 +/- 2.88   1.353% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HA    VAL   18  17.42 +/- 2.74   0.429% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  16.85 +/- 2.28   0.447% *  0.0485% (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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.11, residual support = 76.3:
    * O T QG1   VAL   18 - HA    VAL   18   2.46 +/- 0.31  82.994% * 97.5536% (1.00  10.0 10.00   4.12  76.44) =  99.807%  kept
          QD1   LEU   71 - HA    VAL   18   8.05 +/- 2.57   6.354% *  1.2749% (0.84   1.0  1.00   0.31   0.02) =   0.100%
        T QG1   VAL   70 - HA    VAL   18   7.67 +/- 2.47   7.662% *  0.9562% (0.98   1.0 10.00   0.02   0.02) =   0.090%
          HB3   LEU   63 - HA    VAL   18   9.61 +/- 2.01   1.874% *  0.0670% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   18  14.82 +/- 3.35   0.673% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    VAL   18  18.33 +/- 2.55   0.259% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  19.96 +/- 2.34   0.185% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.981, support = 4.12, residual support = 72.7:
    * O T QG2   VAL   18 - HA    VAL   18   2.92 +/- 0.32  62.765% * 85.1181% (1.00  10.0 10.00   4.10  76.44) =  93.350%  kept
          QD1   ILE   19 - HA    VAL   18   4.39 +/- 0.90  27.826% * 13.5686% (0.73   1.0  1.00   4.39  21.16) =   6.597%  kept
        T QG1   VAL   41 - HA    VAL   18   9.90 +/- 3.20   3.545% *  0.6505% (0.76   1.0 10.00   0.02   0.02) =   0.040%
        T QD2   LEU  104 - HA    VAL   18  14.90 +/- 2.91   0.843% *  0.4819% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QG2   THR   46 - HA    VAL   18  11.59 +/- 3.40   1.890% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HA    VAL   18  11.15 +/- 3.78   1.903% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   31 - HA    VAL   18  11.92 +/- 1.67   1.228% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.55, residual support = 76.4:
    * O T HA    VAL   18 - HB    VAL   18   2.57 +/- 0.30  92.879% * 99.3791% (1.00  10.0 10.00   3.55  76.44) =  99.995%  kept
          HA    VAL   70 - HB    VAL   18   9.42 +/- 3.30   3.366% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB    VAL   18  16.47 +/- 6.21   1.050% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HB    VAL   18  16.03 +/- 2.25   0.660% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   18  16.21 +/- 2.16   0.460% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  16.56 +/- 2.91   0.447% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.31 +/- 4.99   0.214% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  16.99 +/- 2.03   0.374% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  19.16 +/- 3.77   0.403% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  23.74 +/- 4.62   0.148% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 76.4:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.01  90.755% * 99.5994% (1.00  10.0 10.00   3.43  76.44) =  99.991%  kept
          QG1   VAL   70 - HB    VAL   18   7.71 +/- 2.79   4.303% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   63 - HB    VAL   18   8.69 +/- 2.56   2.534% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB    VAL   18   9.34 +/- 2.27   1.517% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB    VAL   18  14.10 +/- 3.31   0.568% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   18  18.60 +/- 3.09   0.175% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  19.39 +/- 2.83   0.148% *  0.0197% (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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.22, residual support = 76.0:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.02  90.846% * 86.7662% (1.00  10.0 10.00   3.22  76.44) =  99.300%  kept
          QD1   ILE   19 - HB    VAL   18   6.10 +/- 0.72   4.570% * 11.8951% (0.73   1.0  1.00   3.78  21.16) =   0.685%  kept
        T QG1   VAL   41 - HB    VAL   18  10.92 +/- 3.34   1.246% *  0.6631% (0.76   1.0 10.00   0.02   0.02) =   0.010%
        T QD2   LEU  104 - HB    VAL   18  15.30 +/- 3.30   0.365% *  0.4912% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    VAL   18  10.75 +/- 4.21   1.598% *  0.0850% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    VAL   18  11.32 +/- 3.91   0.901% *  0.0801% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   18  13.08 +/- 1.86   0.475% *  0.0193% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.12, residual support = 76.4:
    * O T HA    VAL   18 - QG1   VAL   18   2.46 +/- 0.31  89.932% * 97.2871% (1.00  10.0 10.00   4.12  76.44) =  99.946%  kept
        T HA    VAL   70 - QG1   VAL   18   8.27 +/- 2.27   4.158% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.032%
        T HA    SER   48 - QG1   VAL   18  12.90 +/- 4.91   1.819% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.015%
        T HB2   SER   82 - QG1   VAL   18  16.56 +/- 4.49   0.442% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.005%
          HA    GLU-  29 - QG1   VAL   18  12.71 +/- 1.72   0.875% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   18  13.28 +/- 1.63   0.743% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG1   VAL   18  13.83 +/- 2.57   0.604% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  13.76 +/- 1.55   0.643% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  18.70 +/- 3.90   0.293% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  15.43 +/- 2.89   0.491% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 76.1:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.01  75.142% * 98.3053% (1.00  10.0 10.00   3.43  76.44) =  99.568%  kept
          HB2   LEU   67 - QG1   VAL   18   7.01 +/- 3.87  21.634% *  1.4735% (0.90   1.0  1.00   0.33   0.02) =   0.430%  kept
          HB3   ARG+  54 - QG1   VAL   18  13.84 +/- 3.60   1.125% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG1   VAL   18  11.20 +/- 2.24   1.162% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QG1   VAL   18  13.42 +/- 2.62   0.498% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  13.28 +/- 2.52   0.439% *  0.0479% (0.49   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 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 = 3.98, residual support = 75.5:
    * O T QG2   VAL   18 - QG1   VAL   18   2.03 +/- 0.06  83.437% * 85.0734% (1.00  10.0 10.00   3.97  76.44) =  98.328%  kept
          QD1   ILE   19 - QG1   VAL   18   4.93 +/- 0.78   8.737% * 13.6140% (0.73   1.0  1.00   4.41  21.16) =   1.648%  kept
        T QG1   VAL   41 - QG1   VAL   18   8.86 +/- 2.53   1.627% *  0.6502% (0.76   1.0 10.00   0.02   0.02) =   0.015%
        T QD2   LEU  104 - QG1   VAL   18  12.72 +/- 2.54   0.557% *  0.4816% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   46 - QG1   VAL   18   8.32 +/- 3.35   3.164% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - QG1   VAL   18   8.77 +/- 3.25   1.610% *  0.0785% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - QG1   VAL   18  10.18 +/- 1.61   0.868% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 4.09, residual support = 76.2:
    * O T HA    VAL   18 - QG2   VAL   18   2.92 +/- 0.32  53.573% * 94.8805% (1.00  10.0 10.00   4.10  76.44) =  99.696%  kept
          HA    LYS+  33 - QG1   VAL   41   7.80 +/- 1.48   3.552% *  3.1802% (0.72   1.0  1.00   0.93   0.02) =   0.222%  kept
        T HA    VAL   18 - QG1   VAL   41   9.90 +/- 3.20   3.133% *  0.7251% (0.76   1.0 10.00   0.02   0.02) =   0.045%
          HA    VAL   70 - QG1   VAL   41   6.81 +/- 1.51   9.662% *  0.0498% (0.52   1.0  1.00   0.02   2.63) =   0.009%
          HA    VAL   70 - QG2   VAL   18   8.49 +/- 2.43   4.573% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HA    GLN   32 - QG1   VAL   41   6.78 +/- 1.97   6.390% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          HA    GLU-  29 - QG1   VAL   41   9.07 +/- 2.22   2.607% *  0.0723% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   48 - QG2   VAL   18  13.11 +/- 5.12   2.729% *  0.0689% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HA    VAL   18 - QD2   LEU  104  14.90 +/- 2.91   0.726% *  0.1458% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HB2   SER   82 - QG1   VAL   41  13.63 +/- 2.60   1.128% *  0.0719% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  29 - QG2   VAL   18  13.92 +/- 2.01   0.847% *  0.0947% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - QG2   VAL   18  14.17 +/- 1.99   0.638% *  0.0898% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QG2   VAL   18  13.71 +/- 2.17   0.759% *  0.0652% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QG2   VAL   18  17.91 +/- 3.99   0.311% *  0.0940% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QD2   LEU  104   9.72 +/- 2.07   2.636% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - QG2   VAL   18  14.89 +/- 1.85   0.530% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.63 +/- 2.15   0.403% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  17.55 +/- 2.10   0.329% *  0.0527% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  15.23 +/- 3.15   0.641% *  0.0264% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  15.61 +/- 1.35   0.392% *  0.0353% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  19.97 +/- 3.47   0.199% *  0.0462% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.09 +/- 2.16   0.660% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  15.55 +/- 2.76   0.539% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  16.93 +/- 3.18   0.489% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  12.50 +/- 2.56   1.037% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.99 +/- 2.42   0.541% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.34 +/- 1.86   0.187% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  15.95 +/- 2.10   0.414% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  19.91 +/- 3.02   0.218% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.39 +/- 2.80   0.155% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 3.22, residual support = 76.1:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.02  66.466% * 92.8717% (1.00  10.0 10.00   3.22  76.44) =  99.481%  kept
          HB2   LEU   40 - QG1   VAL   41   5.30 +/- 0.40   4.452% *  5.3487% (0.26   1.0  1.00   4.42  20.19) =   0.384%  kept
          HB2   LEU   67 - QG2   VAL   18   6.98 +/- 3.62  15.289% *  0.4740% (0.90   1.0  1.00   0.11   0.02) =   0.117%  kept
        T HB    VAL   18 - QG1   VAL   41  10.92 +/- 3.34   0.910% *  0.7098% (0.76   1.0 10.00   0.02   0.02) =   0.010%
          HB3   ARG+  54 - QG2   VAL   18  13.37 +/- 3.85   3.268% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   67 - QG1   VAL   41   9.52 +/- 1.80   1.181% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   18 - QD2   LEU  104  15.30 +/- 3.30   0.266% *  0.1427% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG2   VAL   18  11.64 +/- 2.27   0.749% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.79 +/- 1.68   4.452% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  12.55 +/- 2.00   0.421% *  0.0452% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  13.73 +/- 2.08   0.350% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  15.12 +/- 1.89   0.221% *  0.0373% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  19.78 +/- 3.50   0.121% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.46 +/- 2.84   0.587% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.31 +/- 4.96   0.763% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  18.48 +/- 2.02   0.114% *  0.0345% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  13.72 +/- 1.31   0.268% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  21.06 +/- 4.27   0.122% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.967, support = 4.02, residual support = 81.2:
    * O T QG1   VAL   18 - QG2   VAL   18   2.03 +/- 0.06  53.997% * 90.5906% (1.00  10.0 10.00   3.97  76.44) =  96.424%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.71 +/- 0.40  26.248% *  6.7757% (0.07  10.0 10.00   5.32 214.10) =   3.506%  kept
          QD1   LEU   71 - QG1   VAL   41   6.06 +/- 1.31   3.422% *  0.4677% (0.64   1.0  1.00   0.16   3.11) =   0.032%
        T QG1   VAL   18 - QG1   VAL   41   8.86 +/- 2.53   1.047% *  0.6923% (0.76   1.0 10.00   0.02   0.02) =   0.014%
          QG1   VAL   70 - QG2   VAL   18   6.83 +/- 2.10   3.936% *  0.0888% (0.98   1.0  1.00   0.02   0.02) =   0.007%
        T HB3   LEU  104 - QG1   VAL   41   9.24 +/- 1.90   0.930% *  0.3370% (0.37   1.0 10.00   0.02   0.02) =   0.006%
          QG1   VAL   70 - QG1   VAL   41   6.94 +/- 1.13   2.003% *  0.0679% (0.75   1.0  1.00   0.02   2.63) =   0.003%
          HB3   LEU   63 - QG2   VAL   18   7.43 +/- 1.43   1.468% *  0.0622% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QG2   VAL   18   8.09 +/- 1.47   1.193% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QG2   VAL   18  11.81 +/- 2.60   0.854% *  0.0757% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG2   VAL   18  16.18 +/- 2.13   0.135% *  0.4410% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   VAL   18 - QD2   LEU  104  12.72 +/- 2.54   0.369% *  0.1392% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG1   VAL   41  11.12 +/- 2.02   0.453% *  0.0476% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   8.47 +/- 2.09   1.520% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.37 +/- 2.87   0.202% *  0.0578% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.53 +/- 1.73   0.913% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  12.89 +/- 3.91   0.374% *  0.0116% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.59 +/- 2.18   0.367% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  16.31 +/- 1.92   0.129% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  14.32 +/- 0.94   0.161% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.96 +/- 0.55   0.277% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 126.2:
    * O T HB    ILE   19 - HA    ILE   19   2.85 +/- 0.24  82.295% * 98.7896% (1.00  10.0 10.00   4.75 126.21) =  99.981%  kept
        T HB3   GLU-  25 - HA    ILE   19  14.39 +/- 1.66   0.815% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.008%
          HB2   GLN   17 - HA    ILE   19   6.00 +/- 0.65  10.072% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - HA    ILE   19   8.54 +/- 0.73   3.564% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HA    ILE   19  14.62 +/- 2.60   0.865% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    ILE   19  14.18 +/- 3.11   1.344% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.48 +/- 2.99   0.221% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  18.80 +/- 3.53   0.397% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  19.86 +/- 2.97   0.286% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  25.28 +/- 3.41   0.141% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 0.976, support = 5.15, residual support = 121.8:
    * O T HG12  ILE   19 - HA    ILE   19   3.68 +/- 0.31  52.739% * 84.4813% (1.00  10.0 10.00   5.31 126.21) =  96.372%  kept
        T HG    LEU   73 - HA    ILE   19   7.88 +/- 3.22  11.510% * 13.7626% (0.34   1.0 10.00   0.96   5.45) =   3.426%  kept
          HB3   LYS+  74 - HA    ILE   19   7.06 +/- 3.31  13.579% *  0.5022% (0.57   1.0  1.00   0.21   8.38) =   0.148%  kept
        T HG    LEU   80 - HA    ILE   19  14.55 +/- 5.19   1.361% *  0.8281% (0.98   1.0 10.00   0.02   0.02) =   0.024%
          QB    ALA   61 - HA    ILE   19   9.76 +/- 2.72  13.157% *  0.0733% (0.87   1.0  1.00   0.02   0.02) =   0.021%
          HB3   LEU   67 - HA    ILE   19  11.00 +/- 2.96   3.091% *  0.0613% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QG    LYS+  66 - HA    ILE   19  12.27 +/- 1.55   1.923% *  0.0444% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - HA    ILE   19  15.64 +/- 4.96   0.969% *  0.0646% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ILE   19  21.97 +/- 2.72   0.286% *  0.0837% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    ILE   19  15.50 +/- 2.48   0.822% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.75 +/- 3.52   0.289% *  0.0512% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.99 +/- 3.33   0.273% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.15 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.74, residual support = 126.1:
    * O T HG13  ILE   19 - HA    ILE   19   3.27 +/- 0.56  72.795% * 98.2804% (1.00  10.0 10.00   4.75 126.21) =  99.905%  kept
        T HG    LEU   71 - HA    ILE   19  10.40 +/- 2.29   5.485% *  0.8814% (0.90   1.0 10.00   0.02   0.40) =   0.068%
          QG2   THR   39 - HA    ILE   19   9.50 +/- 2.87   8.731% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.010%
        T QG2   ILE   56 - HA    ILE   19  16.06 +/- 2.82   1.515% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.008%
          HG2   LYS+  74 - HA    ILE   19   9.05 +/- 3.47   5.462% *  0.0907% (0.92   1.0  1.00   0.02   8.38) =   0.007%
          QB    ALA   34 - HA    ILE   19  10.13 +/- 1.54   3.530% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    ILE   19  18.05 +/- 3.76   1.010% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE   19  19.65 +/- 2.57   0.449% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   19  20.35 +/- 2.34   0.393% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  20.90 +/- 3.24   0.374% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.97 +/- 3.61   0.257% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.17 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.981, support = 4.71, residual support = 118.9:
    *   T QD1   ILE   19 - HA    ILE   19   3.08 +/- 0.64  64.123% * 85.5918% (1.00 10.00   4.72 126.21) =  93.007%  kept
          QG2   VAL   18 - HA    ILE   19   4.48 +/- 0.70  29.103% * 14.1691% (0.73  1.00   4.56  21.16) =   6.988%  kept
          QG2   THR   46 - HA    ILE   19  12.52 +/- 2.80   1.478% *  0.0715% (0.84  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    ILE   19  12.14 +/- 3.10   1.706% *  0.0417% (0.49  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    ILE   19  11.00 +/- 2.53   2.465% *  0.0264% (0.31  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    ILE   19  16.82 +/- 2.29   0.470% *  0.0826% (0.97  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HA    ILE   19  15.48 +/- 2.52   0.656% *  0.0169% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.25 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 126.2:
    * O T HA    ILE   19 - HB    ILE   19   2.85 +/- 0.24  94.244% * 98.6066% (1.00  10.0 10.00   4.75 126.21) =  99.985%  kept
        T HA    GLU-  25 - HB    ILE   19  12.74 +/- 1.37   1.262% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.012%
        T HA    SER   82 - HB    ILE   19  20.71 +/- 4.29   0.348% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB    ILE   19   9.28 +/- 1.49   3.754% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    ILE   19  19.56 +/- 3.15   0.392% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 0.939, support = 4.11, residual support = 114.9:
    * O T HG12  ILE   19 - HB    ILE   19   2.44 +/- 0.23  67.002% * 71.0601% (1.00  10.0 10.00   4.29 126.21) =  90.638%  kept
        T HG    LEU   73 - HB    ILE   19   6.30 +/- 3.82  19.464% * 24.2392% (0.34   1.0 10.00   2.36   5.45) =   8.982%  kept
          HB3   LYS+  74 - HB    ILE   19   7.31 +/- 2.96   5.728% *  3.1817% (0.57   1.0  1.00   1.58   8.38) =   0.347%  kept
        T HB3   LEU   67 - HB    ILE   19  11.25 +/- 2.74   2.026% *  0.5160% (0.73   1.0 10.00   0.02   0.02) =   0.020%
        T HG    LEU   80 - HB    ILE   19  13.60 +/- 5.27   0.674% *  0.6965% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          QB    ALA   61 - HB    ILE   19  10.29 +/- 2.20   2.905% *  0.0616% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HB    ILE   19  13.10 +/- 1.60   0.759% *  0.0374% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HB    ILE   19  14.65 +/- 5.07   0.475% *  0.0543% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  14.05 +/- 3.40   0.554% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  21.70 +/- 2.61   0.122% *  0.0704% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  22.53 +/- 3.30   0.149% *  0.0431% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  21.29 +/- 4.32   0.141% *  0.0177% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 0.997, support = 3.88, residual support = 122.3:
    * O T HG13  ILE   19 - HB    ILE   19   2.74 +/- 0.23  71.864% * 74.3600% (1.00  10.0 10.00   4.00 126.21) =  96.665%  kept
        T HG2   LYS+  74 - HB    ILE   19   9.18 +/- 3.36   8.928% * 18.8162% (0.92   1.0 10.00   0.55   8.38) =   3.039%  kept
        T HG    LEU   71 - HB    ILE   19   9.91 +/- 2.42   2.435% *  6.3770% (0.90   1.0 10.00   0.19   0.40) =   0.281%  kept
          QG2   THR   39 - HB    ILE   19   8.69 +/- 3.03  11.123% *  0.0621% (0.84   1.0  1.00   0.02   0.02) =   0.012%
          QB    ALA   34 - HB    ILE   19   8.57 +/- 2.09   3.720% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HB    ILE   19  18.28 +/- 3.28   0.337% *  0.0703% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  16.83 +/- 3.75   0.525% *  0.0421% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.80 +/- 3.38   0.110% *  0.1472% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  19.87 +/- 2.43   0.223% *  0.0621% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  16.33 +/- 2.55   0.465% *  0.0279% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  19.85 +/- 3.69   0.270% *  0.0185% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 3.98, residual support = 123.2:
    * O T QD1   ILE   19 - HB    ILE   19   2.78 +/- 0.41  74.592% * 85.6373% (1.00  10.0 10.00   3.96 126.21) =  97.129%  kept
          QG2   VAL   18 - HB    ILE   19   5.83 +/- 0.76  13.336% * 14.1235% (0.73   1.0  1.00   4.54  21.16) =   2.864%  kept
          QG1   VAL   43 - HB    ILE   19  10.96 +/- 3.70   3.607% *  0.0417% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   41 - HB    ILE   19   9.54 +/- 3.09   5.184% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    ILE   19  12.48 +/- 2.28   1.308% *  0.0715% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HB    ILE   19  15.66 +/- 2.72   0.912% *  0.0826% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB    ILE   19  14.11 +/- 3.30   1.060% *  0.0169% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.14 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 0.978, support = 5.17, residual support = 122.3:
    * O T HA    ILE   19 - HG12  ILE   19   3.68 +/- 0.31  54.780% * 85.8872% (1.00  10.0 10.00   5.31 126.21) =  96.769%  kept
        T HA    ILE   19 - HG    LEU   73   7.88 +/- 3.22  11.640% * 13.3959% (0.33   1.0 10.00   0.96   5.45) =   3.207%  kept
        T HA    ILE   19 - HG    LEU   80  14.55 +/- 5.19   1.390% *  0.3523% (0.41   1.0 10.00   0.02   0.02) =   0.010%
          HA    GLU-  25 - HG    LEU   80  10.77 +/- 5.35   4.094% *  0.0325% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  25 - HG12  ILE   19  13.91 +/- 1.56   1.243% *  0.0793% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   26 - HG12  ILE   19  10.38 +/- 1.74   4.020% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   82 - HG    LEU   80   8.07 +/- 0.99   6.136% *  0.0132% (0.15   1.0  1.00   0.02   0.30) =   0.002%
          HA    GLU-  25 - HG    LEU   73  11.13 +/- 3.35   3.031% *  0.0259% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - HG    LEU   73  16.75 +/- 4.79   2.364% *  0.0252% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HG12  ILE   19  19.94 +/- 2.73   0.599% *  0.0770% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   73   9.43 +/- 3.76   6.509% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG    LEU   80  12.17 +/- 5.49   2.432% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  18.79 +/- 3.56   0.658% *  0.0316% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  21.74 +/- 4.17   0.333% *  0.0322% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  16.18 +/- 2.24   0.773% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 0.941, support = 4.12, residual support = 115.6:
    * O T HB    ILE   19 - HG12  ILE   19   2.44 +/- 0.23  56.334% * 74.6257% (1.00  10.0 10.00   4.29 126.21) =  91.251%  kept
        T HB    ILE   19 - HG    LEU   73   6.30 +/- 3.82  16.503% * 24.3716% (0.33   1.0 10.00   2.36   5.45) =   8.730%  kept
          QB    GLU-  15 - HG12  ILE   19   7.58 +/- 1.77   4.880% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HB    ILE   19 - HG    LEU   80  13.60 +/- 5.27   0.568% *  0.3061% (0.41   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - HG12  ILE   19   7.10 +/- 1.03   3.151% *  0.0422% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - HG12  ILE   19  13.96 +/- 2.39   1.047% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  115 - HG    LEU   73  16.12 +/- 4.91   5.959% *  0.0091% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HG12  ILE   19  13.68 +/- 2.94   3.279% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU   73  17.95 +/- 4.78   1.400% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80  11.59 +/- 5.83   1.203% *  0.0234% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG12  ILE   19  14.54 +/- 1.50   0.341% *  0.0570% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.18 +/- 3.43   0.631% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.19 +/- 3.14   0.148% *  0.0740% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  16.24 +/- 2.20   0.347% *  0.0242% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  12.50 +/- 3.31   0.544% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  13.18 +/- 3.28   0.480% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  20.58 +/- 3.21   0.206% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  19.62 +/- 2.82   0.207% *  0.0280% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.45 +/- 2.49   0.176% *  0.0307% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.51 +/- 5.14   0.400% *  0.0119% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  19.69 +/- 2.17   0.136% *  0.0303% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.49 +/- 3.60   0.358% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.22 +/- 3.36   0.098% *  0.0363% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  16.25 +/- 2.68   0.628% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  19.31 +/- 4.66   0.158% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  19.05 +/- 5.13   0.158% *  0.0173% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  20.64 +/- 4.06   0.329% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  18.61 +/- 2.59   0.171% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  22.97 +/- 2.57   0.079% *  0.0149% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.91 +/- 2.29   0.080% *  0.0126% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 0.994, support = 4.24, residual support = 124.3:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  73.133% * 67.0941% (1.00  10.0 10.00   4.29 126.21) =  98.468%  kept
        T HG    LEU   71 - HG12  ILE   19   8.49 +/- 3.40   1.996% * 21.2544% (0.90   1.0 10.00   0.71   0.40) =   0.852%  kept
        T HG13  ILE   19 - HG    LEU   73   7.82 +/- 3.47   3.127% * 10.3327% (0.33   1.0 10.00   0.94   5.45) =   0.648%  kept
        T HG    LEU   71 - HG    LEU   80  16.61 +/- 4.29   3.049% *  0.2468% (0.37   1.0 10.00   0.02   0.02) =   0.015%
          QG2   THR   39 - HG12  ILE   19   7.60 +/- 3.87   8.311% *  0.0560% (0.84   1.0  1.00   0.02   0.02) =   0.009%
        T HG    LEU   71 - HG    LEU   73  10.30 +/- 1.78   0.571% *  0.1965% (0.29   1.0 10.00   0.02   1.76) =   0.002%
          HG2   LYS+  74 - HG12  ILE   19   9.93 +/- 3.35   1.675% *  0.0619% (0.92   1.0  1.00   0.02   8.38) =   0.002%
        T HG13  ILE   19 - HG    LEU   80  15.21 +/- 5.14   0.175% *  0.2752% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HG    LEU   73   7.87 +/- 1.01   1.019% *  0.0202% (0.30   1.0  1.00   0.02  41.36) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.03 +/- 2.47   1.174% *  0.0149% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.97 +/- 2.14   0.686% *  0.0254% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   9.59 +/- 2.29   0.645% *  0.0183% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  14.14 +/- 2.96   0.416% *  0.0230% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  15.61 +/- 4.27   0.198% *  0.0380% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.31 +/- 3.71   0.108% *  0.0635% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.04 +/- 1.36   0.220% *  0.0230% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   8.39 +/- 2.04   1.004% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  14.68 +/- 3.37   0.487% *  0.0082% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  16.46 +/- 2.55   0.134% *  0.0252% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.43 +/- 2.17   0.051% *  0.0560% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  12.35 +/- 3.34   0.440% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  19.81 +/- 3.59   0.102% *  0.0260% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.81 +/- 2.26   0.129% *  0.0183% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.10 +/- 1.36   0.337% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  16.90 +/- 2.62   0.107% *  0.0207% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  17.17 +/- 3.08   0.113% *  0.0103% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  22.05 +/- 4.08   0.074% *  0.0156% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  17.62 +/- 2.03   0.085% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  20.41 +/- 3.61   0.059% *  0.0167% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  14.77 +/- 2.63   0.178% *  0.0055% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.90 +/- 5.31   0.123% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.94 +/- 3.53   0.029% *  0.0133% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.71 +/- 2.93   0.042% *  0.0054% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 0.992, support = 4.01, residual support = 124.1:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.02  61.291% * 77.5502% (1.00  10.0 10.00   4.03 126.21) =  98.152%  kept
          QG2   VAL   18 - HG12  ILE   19   5.79 +/- 0.81   4.366% * 12.1367% (0.73   1.0  1.00   4.31  21.16) =   1.094%  kept
        T QD1   ILE   19 - HG    LEU   73   6.95 +/- 2.38   3.812% *  9.3826% (0.33   1.0 10.00   0.74   5.45) =   0.738%  kept
        T QD1   ILE   19 - HG    LEU   80  12.92 +/- 3.82   0.458% *  0.3181% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HG    LEU   73   9.33 +/- 2.66   4.215% *  0.0212% (0.27   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HG    LEU   73   7.03 +/- 2.59   7.118% *  0.0123% (0.16   1.0  1.00   0.02   2.76) =   0.002%
          QG1   VAL   43 - HG    LEU   80   7.39 +/- 1.84   3.505% *  0.0155% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HG12  ILE   19   9.01 +/- 3.64   2.147% *  0.0239% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG12  ILE   19  13.86 +/- 3.68   0.328% *  0.1535% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   98 - HG    LEU   80  12.12 +/- 2.82   0.682% *  0.0629% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HG    LEU   73   7.90 +/- 2.65   2.294% *  0.0184% (0.24   1.0  1.00   0.02   0.81) =   0.001%
          QG1   VAL   43 - HG12  ILE   19  11.18 +/- 3.76   0.943% *  0.0377% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG    LEU   80   9.87 +/- 1.81   0.957% *  0.0266% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG12  ILE   19  12.92 +/- 2.25   0.364% *  0.0648% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  11.06 +/- 2.95   2.247% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  15.09 +/- 2.73   0.287% *  0.0748% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   8.12 +/- 2.28   2.547% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  13.58 +/- 3.00   0.605% *  0.0244% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.82 +/- 4.96   0.595% *  0.0231% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  15.41 +/- 3.73   0.407% *  0.0307% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73  11.32 +/- 2.52   0.833% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 126.2:
    * O T HA    ILE   19 - HG13  ILE   19   3.27 +/- 0.56  83.941% * 98.6722% (1.00  10.0 10.00   4.75 126.21) =  99.977%  kept
        T HA    ILE   19 - HG    LEU   71  10.40 +/- 2.29   6.395% *  0.1414% (0.14   1.0 10.00   0.02   0.40) =   0.011%
        T HA    CYS   53 - HG13  ILE   19  20.09 +/- 3.13   0.727% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.008%
        T HA    CYS   53 - HG    LEU   71  20.25 +/- 4.06   1.061% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  25 - HG13  ILE   19  14.43 +/- 1.42   1.341% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HG13  ILE   19  10.80 +/- 1.67   3.702% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HG13  ILE   19  22.29 +/- 4.00   0.349% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  18.33 +/- 1.83   0.693% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  15.70 +/- 2.09   1.180% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  22.95 +/- 3.55   0.612% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.07 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 126.2:
    * O T HB    ILE   19 - HG13  ILE   19   2.74 +/- 0.23  59.672% * 98.7569% (1.00  10.0 10.00   4.00 126.21) =  99.973%  kept
          HB2   GLN   17 - HG13  ILE   19   6.49 +/- 1.58   8.297% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.008%
          QB    GLU-  15 - HG13  ILE   19   7.33 +/- 1.59   5.620% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.005%
        T HB    ILE   19 - HG    LEU   71   9.91 +/- 2.42   2.107% *  0.1416% (0.14   1.0 10.00   0.02   0.40) =   0.005%
          HG2   PRO   68 - HG13  ILE   19  13.86 +/- 2.68   1.454% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HG13  ILE   19  13.51 +/- 3.34   4.645% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG    LEU   71   8.83 +/- 4.55   6.547% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - HG13  ILE   19  25.50 +/- 3.22   0.092% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG13  ILE   19  14.98 +/- 1.54   0.441% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   71  10.36 +/- 3.60   2.727% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.15 +/- 1.76   1.438% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  17.08 +/- 5.76   3.038% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.43 +/- 2.92   0.161% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  23.15 +/- 5.57   0.224% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  18.59 +/- 5.63   0.751% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.42 +/- 2.50   0.206% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  19.87 +/- 2.68   0.197% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.80 +/- 1.91   1.996% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  19.70 +/- 1.72   0.175% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  19.61 +/- 2.79   0.213% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 0.995, support = 4.27, residual support = 125.4:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  81.435% * 84.7177% (1.00  10.0 10.00   4.29 126.21) =  99.305%  kept
        T HG    LEU   73 - HG13  ILE   19   7.82 +/- 3.47   3.462% * 13.6271% (0.34   1.0 10.00   0.94   5.45) =   0.679%  kept
        T HG    LEU   80 - HG    LEU   71  16.61 +/- 4.29   3.367% *  0.1190% (0.14   1.0 10.00   0.02   0.02) =   0.006%
        T HG12  ILE   19 - HG    LEU   71   8.49 +/- 3.40   2.248% *  0.1214% (0.14   1.0 10.00   0.02   0.40) =   0.004%
        T HG    LEU   80 - HG13  ILE   19  15.21 +/- 5.14   0.194% *  0.8304% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HG13  ILE   19   8.44 +/- 3.08   1.228% *  0.0480% (0.57   1.0  1.00   0.02   8.38) =   0.001%
          HB3   LEU   67 - HG13  ILE   19  10.68 +/- 3.36   0.819% *  0.0615% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HG13  ILE   19  10.55 +/- 2.14   0.627% *  0.0735% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG    LEU   71  10.30 +/- 1.78   0.632% *  0.0414% (0.05   1.0 10.00   0.02   1.76) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  12.52 +/- 2.01   0.325% *  0.0446% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  17.23 +/- 4.21   1.392% *  0.0093% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  16.19 +/- 4.88   0.141% *  0.0647% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  17.76 +/- 6.25   1.236% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.96 +/- 1.76   0.855% *  0.0088% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.19 +/- 3.29   0.234% *  0.0261% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  22.07 +/- 2.67   0.048% *  0.0840% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.18 +/- 1.36   0.275% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  22.05 +/- 3.22   0.054% *  0.0514% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.12 +/- 1.81   0.332% *  0.0069% (0.08   1.0  1.00   0.02   0.24) =   0.000%
          QG    LYS+  66 - HG    LEU   71  11.53 +/- 1.56   0.356% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.72 +/- 1.65   0.429% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.27 +/- 4.45   0.068% *  0.0211% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.09 +/- 4.46   0.119% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  17.00 +/- 2.43   0.123% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 3.96, residual support = 124.9:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.02  72.562% * 85.4853% (1.00  10.0 10.00   3.95 126.21) =  98.721%  kept
          QG2   VAL   18 - HG13  ILE   19   5.50 +/- 0.92   5.630% * 14.1102% (0.73   1.0  1.00   4.55  21.16) =   1.264%  kept
        T QD1   ILE   19 - HG    LEU   71   7.25 +/- 2.71   5.772% *  0.1225% (0.14   1.0 10.00   0.02   0.40) =   0.011%
          QG1   VAL   41 - HG13  ILE   19   9.45 +/- 3.32   2.374% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HG13  ILE   19  11.67 +/- 3.50   0.890% *  0.0416% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HG13  ILE   19  13.16 +/- 2.57   0.428% *  0.0714% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  15.43 +/- 2.57   0.328% *  0.0825% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   7.05 +/- 1.91   6.738% *  0.0038% (0.04   1.0  1.00   0.02   3.11) =   0.000%
          QG2   VAL   18 - HG    LEU   71   8.72 +/- 1.99   2.052% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  11.28 +/- 1.74   0.647% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.27 +/- 3.23   0.368% *  0.0169% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71  10.29 +/- 1.74   0.983% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.47 +/- 2.57   0.558% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.16 +/- 1.45   0.668% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 126.2:
    *   T HA    ILE   19 - QD1   ILE   19   3.08 +/- 0.64  89.342% * 99.7561% (1.00 10.00   4.72 126.21) =  99.994%  kept
          HA    GLU-  25 - QD1   ILE   19  11.82 +/- 1.13   2.422% *  0.0921% (0.92  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QD1   ILE   19   8.62 +/- 1.19   6.779% *  0.0249% (0.25  1.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QD1   ILE   19  17.53 +/- 2.67   0.899% *  0.0895% (0.90  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QD1   ILE   19  18.75 +/- 2.91   0.558% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.09 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 3.95, residual support = 126.0:
    * O T HB    ILE   19 - QD1   ILE   19   2.78 +/- 0.41  58.609% * 98.8615% (1.00  10.0 10.00   3.96 126.21) =  99.825%  kept
          HB2   GLN   17 - QD1   ILE   19   5.80 +/- 1.37  13.503% *  0.6632% (0.57   1.0  1.00   0.24   0.02) =   0.154%  kept
          QB    GLU-  15 - QD1   ILE   19   5.81 +/- 1.63  12.660% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.012%
          HB3   PRO   68 - QD1   ILE   19  11.62 +/- 2.83  12.019% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HG2   PRO   68 - QD1   ILE   19  12.02 +/- 2.26   1.372% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   ILE   19  12.27 +/- 1.20   0.811% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   ILE   19  18.59 +/- 2.97   0.229% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.05 +/- 2.45   0.380% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  17.40 +/- 2.68   0.283% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.07 +/- 2.96   0.134% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 126.2:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  82.989% * 97.8860% (1.00  10.0 10.00   4.03 126.21) =  99.961%  kept
        T HG    LEU   73 - QD1   ILE   19   6.95 +/- 2.38   5.167% *  0.3339% (0.34   1.0 10.00   0.02   5.45) =   0.021%
        T HG    LEU   80 - QD1   ILE   19  12.92 +/- 3.82   0.618% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+  74 - QD1   ILE   19   7.50 +/- 2.28   5.072% *  0.0554% (0.57   1.0  1.00   0.02   8.38) =   0.003%
        T QB    LEU   98 - QD1   ILE   19  12.14 +/- 2.47   0.599% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   61 - QD1   ILE   19   9.48 +/- 1.92   2.064% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QD1   ILE   19   9.44 +/- 2.32   1.767% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QD1   ILE   19  11.05 +/- 1.38   0.747% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  13.81 +/- 3.52   0.422% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  19.15 +/- 3.31   0.223% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  19.11 +/- 2.16   0.135% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.95 +/- 3.52   0.197% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 3.95, residual support = 126.1:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.02  71.129% * 98.6077% (1.00  10.0 10.00   3.95 126.21) =  99.905%  kept
        T HG    LEU   71 - QD1   ILE   19   7.25 +/- 2.71   5.652% *  0.8843% (0.90   1.0 10.00   0.02   0.40) =   0.071%
          QG2   THR   39 - QD1   ILE   19   6.21 +/- 2.98  15.314% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.018%
          HG2   LYS+  74 - QD1   ILE   19   8.92 +/- 2.73   3.060% *  0.0910% (0.92   1.0  1.00   0.02   8.38) =   0.004%
          QB    ALA   34 - QD1   ILE   19   6.81 +/- 1.91   3.310% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QD1   ILE   19  12.93 +/- 3.61   0.590% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.94 +/- 2.67   0.267% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  14.56 +/- 2.17   0.318% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.84 +/- 1.61   0.137% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  17.98 +/- 2.33   0.143% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.65 +/- 3.22   0.080% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 14.8:
    * O T QB    ALA   20 - HA    ALA   20   2.11 +/- 0.01  98.352% * 99.6998% (1.00  10.0 10.00   2.31  14.84) =  99.999%  kept
          HB3   LEU   31 - HA    ALA   20  13.29 +/- 1.02   0.425% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.97 +/- 3.70   0.353% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  16.69 +/- 1.98   0.241% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.58 +/- 3.88   0.101% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  18.94 +/- 4.56   0.365% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.87 +/- 2.67   0.164% *  0.0175% (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 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 14.8:
    * O T HA    ALA   20 - QB    ALA   20   2.11 +/- 0.01  98.427% * 99.9427% (1.00  10.0 10.00   2.31  14.84) =  99.999%  kept
          HA    LEU   71 - QB    ALA   20   9.61 +/- 1.86   1.420% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QB    ALA   20  18.98 +/- 2.07   0.153% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (1.14, 1.14, 19.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   20 - QB    ALA   20  (1.00)  kept
 
    Peak 114 (4.59, 4.59, 57.78 ppm):
    1 diagonal assignment:
    *     HA    CYS   21 - HA    CYS   21  (1.00)  kept
 
    Peak 115 (3.08, 4.59, 57.78 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.77, residual support = 29.9:
    * O T HB2   CYS   21 - HA    CYS   21   2.76 +/- 0.26  99.141% * 99.9059% (1.00  10.0 10.00   2.77  29.87) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  16.03 +/- 2.73   0.670% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  24.42 +/- 3.25   0.188% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.72, residual support = 29.9:
    * O T HB3   CYS   21 - HA    CYS   21   2.61 +/- 0.19  99.593% * 99.9348% (0.69  10.0 10.00   2.72  29.87) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  17.99 +/- 3.18   0.407% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.63, residual support = 29.9:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.774% * 99.9348% (0.69  10.0 10.00   2.63  29.87) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  16.04 +/- 3.60   0.226% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.63, residual support = 29.9:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.635% * 99.9059% (0.69  10.0 10.00   2.63  29.87) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  14.94 +/- 3.06   0.311% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.76 +/- 3.31   0.055% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 35.2:
    * O T HB2   HIS   22 - HA    HIS   22   2.40 +/- 0.04  97.400% * 99.8331% (0.76  10.0 10.00   2.32  35.18) =  99.997%  kept
          HA    LEU   63 - HA    HIS   22  17.40 +/- 3.38   2.471% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  101 - HA    HIS   22  23.63 +/- 3.42   0.129% *  0.0425% (0.32   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 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   2.96 +/- 0.17  99.102% * 99.9165% (0.95  10.0 10.00   3.46  35.18) =  99.999%  kept
          HD3   ARG+  54 - HA    HIS   22  20.33 +/- 5.11   0.898% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.27 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   2.40 +/- 0.04  99.343% * 99.7956% (0.76  10.0 10.00   2.32  35.18) =  99.999%  kept
          HA    VAL   43 - HB2   HIS   22  14.85 +/- 1.78   0.466% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  21.11 +/- 3.00   0.191% *  0.1046% (0.79   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 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  99.822% * 99.9165% (0.80  10.0 10.00   4.26  35.18) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  20.95 +/- 5.76   0.178% *  0.0835% (0.67   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 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   2.96 +/- 0.17  98.783% * 99.7956% (0.95  10.0 10.00   3.46  35.18) =  99.999%  kept
          HA    VAL   43 - HB3   HIS   22  15.20 +/- 2.01   0.843% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   69 - HB3   HIS   22  20.96 +/- 3.00   0.375% *  0.1046% (0.99   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 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  99.604% * 99.8331% (0.80  10.0 10.00   4.26  35.18) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  19.39 +/- 3.41   0.351% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  25.21 +/- 4.02   0.045% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.35, residual support = 18.6:
    * O T QG2   THR   23 - HA    THR   23   2.62 +/- 0.51  95.195% * 99.3383% (0.80  10.0 10.00   3.35  18.60) =  99.995%  kept
        T QB    ALA   91 - HA    THR   23  17.61 +/- 3.15   0.654% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   THR   39 - HA    THR   23  15.32 +/- 1.56   0.641% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    THR   23  13.17 +/- 0.84   0.941% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    THR   23  11.59 +/- 2.76   1.975% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    THR   23  18.71 +/- 3.73   0.415% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.47 +/- 2.10   0.178% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.623, support = 3.09, residual support = 18.6:
    * O T HA    THR   23 - QG2   THR   23   2.62 +/- 0.51  38.139% * 73.9129% (0.80  10.0 10.00   3.35  18.60) =  65.910%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.02  56.806% * 25.6645% (0.28  10.0  1.00   2.59  18.60) =  34.086%  kept
          HA    LEU   80 - QG2   THR   23  10.02 +/- 5.15   1.802% *  0.0379% (0.41   1.0  1.00   0.02   1.78) =   0.002%
          HA    ASP-  78 - QG2   THR   23  12.84 +/- 3.56   0.435% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   23 - QG2   THR   39  15.32 +/- 1.56   0.175% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QB    ALA   91  11.10 +/- 3.04   1.480% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  17.61 +/- 3.15   0.151% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  18.90 +/- 2.95   0.145% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  16.12 +/- 2.72   0.236% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.67 +/- 1.27   0.340% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  15.27 +/- 1.94   0.185% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  19.32 +/- 3.07   0.106% *  0.0027% (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 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 = 62.8:
    * O T QG1   VAL   24 - HA    VAL   24   2.88 +/- 0.44  96.018% * 99.7332% (1.00  10.0 10.00   3.42  62.83) =  99.998%  kept
          HB3   LEU   31 - HA    VAL   24  10.03 +/- 0.59   2.612% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HA    VAL   24  21.06 +/- 4.23   0.507% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HA    VAL   24  17.62 +/- 1.84   0.526% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  21.59 +/- 3.82   0.338% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 62.8:
    * O T HA    VAL   24 - QG1   VAL   24   2.88 +/- 0.44  97.025% * 99.8757% (1.00  10.0 10.00   3.42  62.83) =  99.999%  kept
          HD2   PRO   68 - QG1   VAL   24  18.02 +/- 3.72   1.398% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - QG1   VAL   24  17.00 +/- 1.80   0.558% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  14.62 +/- 3.06   1.019% *  0.0222% (0.22   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 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   2.96 +/- 0.06  94.652% * 99.2829% (1.00  10.0 10.00   5.27 127.42) =  99.994%  kept
        T HB2   GLU-  25 - HA    SER   82  15.99 +/- 5.89   1.057% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.004%
          QG    GLN   17 - HA    GLU-  25  17.43 +/- 2.16   0.735% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU-  25  19.17 +/- 1.82   0.396% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  17.14 +/- 3.21   0.603% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  14.31 +/- 1.45   1.041% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.27 +/- 1.57   0.353% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  22.14 +/- 1.63   0.243% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.56 +/- 3.98   0.211% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  21.58 +/- 3.13   0.284% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  26.38 +/- 3.69   0.190% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  23.82 +/- 3.16   0.236% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.12  91.440% * 98.0202% (1.00  10.0 10.00   5.00 127.42) =  99.984%  kept
        T HB    ILE   19 - HA    GLU-  25  12.74 +/- 1.37   1.029% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   GLU-  25 - HA    SER   82  14.94 +/- 6.32   1.185% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.004%
          HG3   GLN   30 - HA    GLU-  25   9.04 +/- 0.77   2.879% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HA    SER   82  20.71 +/- 4.29   0.277% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    GLU-  25  17.82 +/- 2.56   0.413% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.29 +/- 2.66   0.404% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  23.53 +/- 5.15   0.491% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  23.42 +/- 4.95   0.415% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  24.97 +/- 2.34   0.143% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  28.99 +/- 3.13   0.098% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.74 +/- 1.74   0.204% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.39 +/- 3.95   0.148% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.94 +/- 2.28   0.138% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  26.33 +/- 3.96   0.119% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  18.63 +/- 3.92   0.385% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  26.69 +/- 2.24   0.111% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  26.93 +/- 3.14   0.121% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.4:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.33 +/- 0.26  96.890% * 99.4877% (1.00  10.0 10.00   4.31 127.42) =  99.997%  kept
        T HG2   GLU-  25 - HA    SER   82  15.24 +/- 5.65   0.665% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   87 - HA    SER   82   9.87 +/- 0.31   1.411% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  17.54 +/- 4.33   0.386% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  21.16 +/- 1.97   0.146% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  28.48 +/- 3.68   0.074% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.61 +/- 1.17   0.212% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  27.89 +/- 3.47   0.071% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  27.06 +/- 1.71   0.071% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  26.57 +/- 1.77   0.072% *  0.0090% (0.09   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 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   3.42 +/- 0.33  84.246% * 99.2510% (1.00  10.0 10.00   3.73 127.42) =  99.988%  kept
        T HG3   GLU-  25 - HA    SER   82  15.83 +/- 6.07   1.656% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLU-  79 - HA    GLU-  25  12.61 +/- 4.60   3.225% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HA    SER   82   9.65 +/- 1.11   5.949% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HA    GLU-  25  17.09 +/- 1.92   0.800% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  26.23 +/- 5.31   0.319% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  15.38 +/- 2.83   1.603% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  22.34 +/- 3.81   0.402% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  24.43 +/- 2.22   0.262% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  22.83 +/- 4.10   0.407% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  25.75 +/- 3.50   0.307% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.05 +/- 1.86   0.401% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  25.71 +/- 3.41   0.241% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.24 +/- 2.25   0.182% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.23 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 127.4:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.96 +/- 0.06  97.199% * 99.2383% (1.00  10.0 10.00   5.27 127.42) =  99.992%  kept
        T HA    SER   82 - HB2   GLU-  25  15.99 +/- 5.89   1.085% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.007%
          HA    ILE   19 - HB2   GLU-  25  13.74 +/- 1.75   1.466% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HB2   GLU-  25  25.47 +/- 4.61   0.250% *  0.0682% (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 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  98.327% * 97.2368% (1.00  10.0 10.00   5.27 127.42) =  99.996%  kept
        T HB2   GLN   17 - HB2   GLU-  25  18.88 +/- 2.97   0.188% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HB2   GLU-  25  17.51 +/- 2.38   0.125% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB2   GLU-  25  24.20 +/- 5.21   0.131% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HB2   GLU-  25  12.50 +/- 1.23   0.306% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU-  25   9.23 +/- 0.89   0.751% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  24.20 +/- 5.03   0.117% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.37 +/- 2.49   0.032% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.40 +/- 3.27   0.023% *  0.0872% (0.90   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 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   2.73 +/- 0.23  99.193% * 99.8559% (1.00  10.0 10.00   4.58 127.42) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  19.79 +/- 4.19   0.326% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.82 +/- 1.71   0.199% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  29.57 +/- 4.08   0.144% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  28.98 +/- 3.85   0.138% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 127.4:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.53 +/- 0.20  97.547% * 99.6757% (1.00  10.0 10.00   4.00 127.42) =  99.999%  kept
          HB2   GLU-  79 - HB2   GLU-  25  13.37 +/- 5.02   1.512% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB2   GLU-  25  17.67 +/- 2.23   0.342% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  27.00 +/- 5.46   0.150% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  23.60 +/- 3.77   0.153% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.84 +/- 2.17   0.111% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  26.27 +/- 4.05   0.186% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.4:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.12  97.686% * 98.4268% (1.00  10.0 10.00   5.00 127.42) =  99.984%  kept
        T HA    ILE   19 - HB3   GLU-  25  14.39 +/- 1.66   0.859% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.008%
        T HA    SER   82 - HB3   GLU-  25  14.94 +/- 6.32   1.266% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.008%
          HA    CYS   53 - HB3   GLU-  25  25.25 +/- 4.61   0.189% *  0.0676% (0.69   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 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  99.543% * 98.0062% (1.00  10.0 10.00   5.27 127.42) =  99.997%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.66 +/- 2.49   0.198% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB3   GLU-  25  20.57 +/- 1.71   0.067% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU-  25  19.06 +/- 3.25   0.093% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.26 +/- 1.58   0.054% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  23.94 +/- 3.05   0.044% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.4:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.92 +/- 0.14  99.019% * 99.8559% (1.00  10.0 10.00   4.44 127.42) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  19.19 +/- 4.50   0.519% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.72 +/- 2.02   0.229% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  29.54 +/- 3.75   0.116% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  28.97 +/- 3.55   0.117% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.4:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.51 +/- 0.19  97.382% * 99.2075% (1.00  10.0 10.00   3.87 127.42) =  99.998%  kept
          HB2   GLU-  79 - HB3   GLU-  25  12.75 +/- 5.36   1.821% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU- 114 - HB3   GLU-  25  25.63 +/- 2.29   0.098% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HB3   GLU-  25  18.75 +/- 2.00   0.289% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  26.60 +/- 5.62   0.126% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  22.90 +/- 4.23   0.174% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  26.47 +/- 3.66   0.109% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.08 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   2.33 +/- 0.26  98.780% * 99.2383% (1.00  10.0 10.00   4.31 127.42) =  99.995%  kept
        T HA    SER   82 - HG2   GLU-  25  15.24 +/- 5.65   0.678% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   19 - HG2   GLU-  25  15.69 +/- 1.63   0.436% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  26.46 +/- 4.81   0.106% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 127.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.73 +/- 0.23  98.363% * 99.7000% (1.00  10.0 10.00   4.58 127.42) =  99.999%  kept
          QG    GLN   17 - HG2   GLU-  25  18.75 +/- 2.22   0.526% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   GLU-  25  20.93 +/- 1.97   0.275% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  19.05 +/- 3.02   0.379% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.35 +/- 1.60   0.251% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  22.93 +/- 3.29   0.206% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.92 +/- 0.14  94.619% * 99.4104% (1.00  10.0 10.00   4.44 127.42) =  99.997%  kept
          HB    ILE   19 - HG2   GLU-  25  14.28 +/- 1.32   0.895% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU-  25  10.41 +/- 1.06   2.499% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG2   GLU-  25  18.86 +/- 2.53   0.419% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  20.73 +/- 2.80   0.384% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  25.06 +/- 5.34   0.471% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  25.16 +/- 5.44   0.482% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  26.65 +/- 2.69   0.136% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  30.81 +/- 3.58   0.094% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.4:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.363% * 99.6757% (1.00  10.0 10.00   3.31 127.42) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  14.22 +/- 4.42   0.346% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.59 +/- 2.57   0.119% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.92 +/- 5.71   0.043% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  23.95 +/- 3.78   0.049% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.12 +/- 2.51   0.034% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  27.46 +/- 4.15   0.046% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 127.4:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.42 +/- 0.33  96.592% * 98.4268% (1.00  10.0 10.00   3.73 127.42) =  99.977%  kept
        T HA    SER   82 - HG3   GLU-  25  15.83 +/- 6.07   1.896% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.012%
        T HA    ILE   19 - HG3   GLU-  25  16.12 +/- 1.71   1.186% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.011%
          HA    CYS   53 - HG3   GLU-  25  27.02 +/- 4.81   0.326% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.16 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   2.53 +/- 0.20  98.845% * 99.7000% (1.00  10.0 10.00   4.00 127.42) =  99.999%  kept
          QG    GLN   17 - HG3   GLU-  25  19.14 +/- 2.47   0.441% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  21.99 +/- 1.83   0.174% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  20.28 +/- 3.08   0.243% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  22.66 +/- 1.61   0.162% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  24.38 +/- 3.32   0.135% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.4:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.51 +/- 0.19  97.011% * 98.6730% (1.00  10.0 10.00   3.87 127.42) =  99.998%  kept
        T QB    GLU- 114 - HG3   GLU-  25  27.48 +/- 2.68   0.082% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG3   GLU-  25  14.82 +/- 1.21   0.540% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   GLU-  25  11.29 +/- 1.02   1.283% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  19.36 +/- 2.54   0.272% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.18 +/- 2.98   0.256% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  26.05 +/- 5.31   0.238% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  26.10 +/- 5.43   0.261% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  31.60 +/- 3.59   0.057% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.01 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  99.824% * 99.8559% (1.00  10.0 10.00   3.31 127.42) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  20.32 +/- 4.34   0.086% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  24.18 +/- 1.95   0.041% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  31.18 +/- 4.08   0.025% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  30.59 +/- 3.88   0.025% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.7:
    * O T HB    THR   26 - HA    THR   26   3.05 +/- 0.02  99.420% * 99.8279% (1.00  10.0 10.00   3.25  34.69) =  99.999%  kept
          HA    ASP-  62 - HA    THR   26  20.35 +/- 2.45   0.439% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  29.46 +/- 3.55   0.141% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.65 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   2.52 +/- 0.15  97.275% * 99.3101% (1.00  10.0 10.00   3.25  34.69) =  99.997%  kept
          HB2   LYS+  74 - HA    THR   26  12.61 +/- 2.26   1.051% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    THR   26  17.39 +/- 1.69   0.337% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HA    THR   26  19.02 +/- 2.91   0.314% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  20.18 +/- 2.68   0.319% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  27.29 +/- 3.52   0.100% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.40 +/- 2.38   0.189% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  27.51 +/- 4.59   0.120% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.11 +/- 3.55   0.168% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  24.66 +/- 2.64   0.128% *  0.0134% (0.14   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 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   3.05 +/- 0.02  85.352% * 99.6617% (1.00  10.0 10.00   3.25  34.69) =  99.995%  kept
          HA    ILE   19 - HB    THR   26   9.16 +/- 1.62   6.900% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   28 - HB    THR   26   7.64 +/- 0.14   5.430% *  0.0308% (0.31   1.0  1.00   0.02   0.48) =   0.002%
          HA    ALA   34 - HB    THR   26  13.15 +/- 1.31   1.188% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB    THR   26  20.50 +/- 5.28   0.492% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  22.45 +/- 4.02   0.317% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  27.72 +/- 2.88   0.129% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.17 +/- 2.61   0.193% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.53 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  97.722% * 99.4369% (1.00  10.0 10.00   3.00  34.69) =  99.998%  kept
          HB2   LYS+  74 - HB    THR   26  10.47 +/- 2.46   1.164% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB    THR   26  17.31 +/- 2.84   0.247% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  24.23 +/- 3.48   0.113% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  18.95 +/- 2.47   0.210% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  26.50 +/- 3.40   0.066% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.58 +/- 1.64   0.201% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.88 +/- 2.23   0.107% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.75 +/- 4.35   0.075% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  23.18 +/- 2.81   0.095% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 34.7:
    * O T HA    THR   26 - QG2   THR   26   2.52 +/- 0.15  74.957% * 98.6211% (1.00  10.0 10.00   3.25  34.69) =  99.989%  kept
          HA    ILE   19 - QG2   THR   26   6.58 +/- 1.55  18.104% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASN   28 - QG2   THR   26   6.62 +/- 0.19   4.284% *  0.0304% (0.31   1.0  1.00   0.02   0.48) =   0.002%
        T HA    GLU- 114 - QG2   THR   26  23.38 +/- 2.58   0.107% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QG2   THR   26   9.63 +/- 1.22   1.665% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LEU  115 - QG2   THR   26  20.37 +/- 2.32   0.166% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QG2   THR   26  16.58 +/- 4.39   0.455% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  19.29 +/- 3.19   0.261% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.7:
    * O T HB    THR   26 - QG2   THR   26   2.15 +/- 0.01  99.537% * 99.1149% (1.00  10.0 10.00   3.00  34.69) =  99.999%  kept
        T HA    SER  117 - QG2   THR   26  23.55 +/- 3.34   0.109% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP-  62 - QG2   THR   26  15.32 +/- 1.95   0.354% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.8:
    * O T HB2   TRP   27 - HA    TRP   27   2.85 +/- 0.07  98.193% * 99.8554% (1.00  10.0 10.00   4.44 100.77) =  99.999%  kept
          HA    THR   77 - HA    TRP   27  13.02 +/- 3.56   1.494% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   93 - HA    TRP   27  20.52 +/- 2.63   0.313% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.8:
    * O T HB3   TRP   27 - HA    TRP   27   2.22 +/- 0.02  98.530% * 99.7166% (1.00  10.0 10.00   4.44 100.77) =  99.999%  kept
          HB2   PHE   97 - HA    TRP   27  16.79 +/- 1.40   0.244% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.87 +/- 2.39   0.346% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.19 +/- 1.56   0.341% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.85 +/- 2.37   0.216% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  15.85 +/- 1.68   0.324% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.8:
    * O T HA    TRP   27 - HB2   TRP   27   2.85 +/- 0.07  99.012% * 99.7755% (1.00  10.0 10.00   4.44 100.77) =  99.999%  kept
          HA    ALA   91 - HB2   TRP   27  19.06 +/- 3.57   0.455% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.63 +/- 1.12   0.269% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.75 +/- 3.81   0.264% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.8:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.306% * 99.7166% (1.00  10.0 10.00   4.97 100.77) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  17.27 +/- 1.29   0.110% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.84 +/- 2.92   0.198% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.71 +/- 2.51   0.114% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.54 +/- 1.54   0.129% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  17.70 +/- 2.15   0.143% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.8:
    * O T HA    TRP   27 - HB3   TRP   27   2.22 +/- 0.02  99.507% * 99.7755% (1.00  10.0 10.00   4.44 100.77) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  18.88 +/- 3.36   0.215% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.68 +/- 0.96   0.146% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.99 +/- 3.21   0.132% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.8:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.303% * 99.8554% (1.00  10.0 10.00   4.97 100.77) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  11.17 +/- 3.44   0.598% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.61 +/- 2.65   0.100% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 94.5:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  87.901% * 99.2152% (1.00  10.0 10.00   4.50  94.53) =  99.981%  kept
        T HB2   ASN   35 - HA    ASN   28  11.14 +/- 1.22   2.076% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.011%
          QE    LYS+  33 - HA    ASN   28   9.30 +/- 1.04   3.681% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HA    ASN   28  12.42 +/- 5.37   2.780% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  65 - HA    ASN   28  18.28 +/- 2.69   0.543% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    ASN   28  16.21 +/- 3.51   0.996% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   28  12.92 +/- 3.24   2.022% *  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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.18, residual support = 93.8:
    * O T HB3   ASN   28 - HA    ASN   28   2.58 +/- 0.08  92.610% * 87.2366% (1.00  10.0 10.00   4.19  94.53) =  98.983%  kept
          HG2   GLN   30 - HA    ASN   28   6.64 +/- 0.74   6.532% * 12.7090% (0.92   1.0  1.00   3.16  18.90) =   1.017%  kept
          HB3   HIS  122 - HA    ASN   28  22.48 +/- 5.59   0.651% *  0.0153% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  21.79 +/- 3.48   0.206% *  0.0391% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 0.992, support = 4.48, residual support = 93.6:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  60.949% * 92.9996% (1.00  10.0 10.00   4.50  94.53) =  98.873%  kept
          HA    ALA   34 - HB2   ASN   35   6.17 +/- 0.33   7.589% *  4.4677% (0.29   1.0  1.00   3.27  21.35) =   0.591%  kept
          HA    THR   26 - HB2   ASN   28   4.67 +/- 0.32  17.749% *  1.6839% (0.31   1.0  1.00   1.17   0.48) =   0.521%  kept
        T HA    ASN   28 - HB2   ASN   35  11.14 +/- 1.22   1.437% *  0.2893% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HA1   GLY  101 - HB2   ASN   35   9.97 +/- 4.43   7.795% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   34 - HB2   ASN   28  11.77 +/- 0.53   1.089% *  0.0880% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY  101 - HB2   ASN   28  16.61 +/- 5.62   0.887% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   ASN   28  24.55 +/- 2.24   0.128% *  0.0928% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  15.27 +/- 4.92   0.664% *  0.0163% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  25.05 +/- 3.67   0.166% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  14.24 +/- 0.79   0.624% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  31.47 +/- 5.75   0.111% *  0.0489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.07 +/- 2.23   0.084% *  0.0602% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  25.53 +/- 2.48   0.116% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  27.90 +/- 7.70   0.166% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.41 +/- 3.91   0.082% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  23.29 +/- 4.79   0.288% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  29.07 +/- 2.70   0.077% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 94.4:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  97.457% * 91.8083% (1.00  10.0 10.00   5.45  94.53) =  99.867%  kept
          HG2   GLN   30 - HB2   ASN   28   7.26 +/- 0.65   1.511% *  7.8047% (0.92   1.0  1.00   1.84  18.90) =   0.132%  kept
        T HB3   ASN   28 - HB2   ASN   35  11.63 +/- 1.41   0.394% *  0.2856% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLN   30 - HB2   ASN   35  12.04 +/- 1.08   0.332% *  0.0264% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  24.17 +/- 3.32   0.045% *  0.0412% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  25.02 +/- 5.41   0.099% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  22.06 +/- 4.57   0.071% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  23.26 +/- 6.66   0.090% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.19, residual support = 94.4:
    * O T HA    ASN   28 - HB3   ASN   28   2.58 +/- 0.08  89.737% * 98.3480% (1.00  10.0 10.00   4.19  94.53) =  99.905%  kept
          HA    THR   26 - HB3   ASN   28   6.21 +/- 0.34   6.847% *  1.1859% (0.31   1.0  1.00   0.78   0.48) =   0.092%
          HA    ALA   34 - HB3   ASN   28  11.39 +/- 0.47   1.074% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB3   ASN   28  15.36 +/- 5.73   1.235% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB3   ASN   28  24.34 +/- 2.12   0.119% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.36 +/- 4.99   0.659% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  25.52 +/- 3.48   0.142% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  31.20 +/- 5.98   0.111% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.85 +/- 1.98   0.078% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 94.5:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  97.869% * 99.2152% (1.00  10.0 10.00   5.45  94.53) =  99.997%  kept
        T HB2   ASN   35 - HB3   ASN   28  11.63 +/- 1.41   0.396% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   ASN   28   9.96 +/- 1.25   0.658% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HB3   ASN   28  13.46 +/- 5.69   0.472% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  17.40 +/- 3.75   0.189% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  20.17 +/- 2.86   0.087% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  14.49 +/- 3.42   0.329% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.997, support = 4.95, residual support = 91.9:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.89 +/- 0.20  57.653% * 98.3644% (1.00  10.0 10.00   4.95  91.92) =  99.959%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.04 +/- 1.17   3.321% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T HB2   GLU-  29 - HA    GLN   32   7.95 +/- 0.32   2.861% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   PHE   72 - HA    GLU-  29  14.06 +/- 2.33   0.707% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HA    GLU-  29  13.81 +/- 4.41   6.937% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   PHE   72 - HA    LYS+  33  13.65 +/- 2.28   0.756% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLN   32  18.35 +/- 5.33   5.864% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    GLU-  29  14.70 +/- 4.05   1.784% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    GLU-  29  16.64 +/- 3.88   0.707% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    LYS+  33  13.43 +/- 4.21   3.111% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  19.66 +/- 4.70   1.754% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  11.37 +/- 4.90   3.520% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.78 +/- 4.95   3.692% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  16.86 +/- 3.76   0.418% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  12.21 +/- 3.84   1.553% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  13.25 +/- 3.51   1.066% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.06 +/- 1.46   0.138% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  20.94 +/- 3.68   0.208% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  25.43 +/- 3.53   0.116% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  26.18 +/- 2.77   0.091% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.61 +/- 1.87   0.298% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.88 +/- 4.24   1.040% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  13.59 +/- 2.66   0.849% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.61 +/- 2.23   0.179% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  19.64 +/- 1.75   0.201% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.44 +/- 3.77   0.118% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.58 +/- 3.53   0.120% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  21.60 +/- 3.15   0.177% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  17.76 +/- 1.67   0.281% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.81 +/- 1.27   0.229% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  27.32 +/- 2.34   0.077% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.29 +/- 1.72   0.060% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  24.24 +/- 2.37   0.113% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 0.86, support = 5.17, residual support = 90.6:
      O   HB3   GLU-  29 - HA    GLU-  29   2.64 +/- 0.17  35.879% * 43.8505% (0.80  10.0  1.00   5.24  91.92) =  63.155%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.58 +/- 0.32  16.117% * 54.7627% (1.00  10.0 10.00   5.16  91.92) =  35.429%  kept
          QB    GLU-  36 - HA    LYS+  33   2.75 +/- 0.51  34.982% *  0.9990% (0.13   1.0  1.00   2.73   0.02) =   1.403%  kept
        T HG3   GLU-  29 - HA    LYS+  33   9.08 +/- 1.56   1.195% *  0.1502% (0.27   1.0 10.00   0.02   0.02) =   0.007%
          HB3   GLU-  29 - HA    LYS+  33   7.18 +/- 1.41   2.699% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   8.67 +/- 1.21   1.181% *  0.0267% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLN   32   6.34 +/- 0.50   2.746% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HA    GLN   32   7.43 +/- 0.45   1.636% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HA    GLN   32   8.78 +/- 0.49   1.006% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   9.20 +/- 0.42   0.844% *  0.0109% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.66 +/- 1.03   0.227% *  0.0398% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.71 +/- 0.81   0.580% *  0.0089% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  16.18 +/- 4.62   0.214% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  24.69 +/- 3.64   0.050% *  0.0518% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  18.22 +/- 5.16   0.361% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  19.54 +/- 4.39   0.210% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  25.48 +/- 3.20   0.044% *  0.0116% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  28.40 +/- 2.30   0.030% *  0.0142% (0.26   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 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.69, residual support = 91.9:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.51 +/- 0.56  85.910% * 99.0116% (1.00  10.0 10.00   4.69  91.92) =  99.972%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.11 +/- 1.68   4.901% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.016%
        T HG2   GLU-  29 - HA    GLN   32   7.43 +/- 0.73   3.888% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.010%
          HB3   ASP-  86 - HA    GLU-  29  16.66 +/- 5.38   0.740% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    GLU-  29  19.76 +/- 3.12   0.288% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  16.53 +/- 4.96   0.651% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  23.16 +/- 2.97   0.163% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.89 +/- 3.30   0.462% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  23.37 +/- 2.50   0.164% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.84 +/- 3.97   0.325% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.53 +/- 1.03   0.155% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.40 +/- 2.78   0.244% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.45 +/- 1.96   0.179% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  16.21 +/- 3.21   0.611% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  24.44 +/- 3.04   0.145% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  23.51 +/- 2.22   0.154% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  23.23 +/- 2.77   0.163% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  23.42 +/- 2.26   0.166% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  18.82 +/- 2.36   0.358% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.28 +/- 1.29   0.191% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.23 +/- 1.49   0.144% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.12 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.95, residual support = 91.8:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.89 +/- 0.20  85.563% * 98.1508% (1.00  10.0 10.00   4.95  91.92) =  99.918%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.04 +/- 1.17   4.870% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.054%
        T HA    GLN   32 - HB2   GLU-  29   7.95 +/- 0.32   4.253% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.022%
          HA    VAL   18 - HB2   GLU-  29  13.73 +/- 2.58   3.083% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB2   SER   82 - HB2   GLU-  29  16.27 +/- 5.49   0.817% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLU-  29  17.02 +/- 2.07   0.534% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  22.62 +/- 4.81   0.356% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  27.21 +/- 3.94   0.166% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  22.28 +/- 3.75   0.221% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.71 +/- 3.84   0.137% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.871, support = 4.5, residual support = 91.9:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  68.988% * 44.1051% (0.80  10.0  1.00   4.54  91.92) =  64.580%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.31 +/- 0.08  30.297% * 55.0806% (1.00  10.0 10.00   4.42  91.92) =  35.419%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  15.54 +/- 4.67   0.134% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLN   90 - HB2   GLU-  29  25.06 +/- 3.43   0.028% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29   9.80 +/- 1.26   0.461% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.18 +/- 1.11   0.092% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 91.9:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.84 +/- 0.16  97.966% * 99.6674% (1.00  10.0 10.00   4.15  91.92) =  99.999%  kept
          HB3   ASP-  86 - HB2   GLU-  29  17.79 +/- 5.20   0.624% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HB2   GLU-  29  19.86 +/- 3.08   0.352% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  23.00 +/- 3.00   0.277% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  23.08 +/- 3.26   0.236% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  19.13 +/- 3.07   0.383% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  24.25 +/- 1.06   0.162% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 4.69, residual support = 91.8:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.51 +/- 0.56  87.913% * 98.1508% (1.00  10.0 10.00   4.69  91.92) =  99.923%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.11 +/- 1.68   5.016% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.054%
        T HA    GLN   32 - HG2   GLU-  29   7.43 +/- 0.73   3.978% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.020%
          HA    VAL   18 - HG2   GLU-  29  15.15 +/- 2.47   1.056% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  16.07 +/- 5.46   0.911% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG2   GLU-  29  17.77 +/- 1.89   0.399% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  23.39 +/- 4.90   0.284% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  22.05 +/- 3.94   0.236% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  28.11 +/- 3.24   0.099% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.65 +/- 3.77   0.107% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 91.9:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.84 +/- 0.16  92.236% * 99.5124% (1.00  10.0 10.00   4.15  91.92) =  99.997%  kept
          QG    GLU-  14 - HG2   GLU-  29  14.93 +/- 4.27   2.052% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HG2   GLU-  29  14.50 +/- 4.12   2.605% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   GLU-  29  16.82 +/- 3.81   0.795% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  15.12 +/- 1.96   0.738% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  18.71 +/- 3.93   0.438% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  21.36 +/- 3.87   0.291% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  26.48 +/- 3.07   0.131% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  26.51 +/- 3.41   0.159% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  23.59 +/- 1.55   0.169% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  18.42 +/- 2.13   0.387% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.34 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.969, support = 4.17, residual support = 91.9:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  80.787% * 55.3193% (1.00  10.0 10.00   4.13  91.92) =  84.627%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.89 +/- 0.11  18.323% * 44.2962% (0.80  10.0 10.00   4.41  91.92) =  15.370%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.83 +/- 1.68   0.596% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HG2   GLU-  29  16.25 +/- 1.40   0.110% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  16.19 +/- 4.71   0.148% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  25.10 +/- 3.90   0.036% *  0.0523% (0.95   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 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 = 0.941, support = 4.88, residual support = 159.2:
    * O T HB2   GLN   30 - HA    GLN   30   2.70 +/- 0.16  49.371% * 53.1933% (1.00  10.0 10.00   4.79 159.18) =  55.393%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.87 +/- 0.68  45.831% * 46.1414% (0.87  10.0 10.00   5.00 159.18) =  44.604%  kept
          HB3   PRO   68 - HA    GLN   30  17.69 +/- 4.45   2.097% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   93 - HA    GLN   30  22.46 +/- 2.78   0.100% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    GLN   30  15.48 +/- 3.95   0.410% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  11.04 +/- 3.18   1.318% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.15 +/- 4.23   0.128% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.26 +/- 2.58   0.047% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  13.50 +/- 2.57   0.555% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  25.59 +/- 3.28   0.076% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  24.40 +/- 1.74   0.067% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 5.2, residual support = 157.0:
    * O T HB3   GLN   30 - HA    GLN   30   2.96 +/- 0.10  56.655% * 97.5712% (1.00  10.0 10.00   5.26 159.18) =  98.628%  kept
          QB    LYS+  33 - HA    GLN   30   3.57 +/- 0.90  39.911% *  1.9233% (0.25   1.0  1.00   1.58   0.47) =   1.370%  kept
          HB3   LYS+  38 - HA    GLN   30  12.96 +/- 1.02   0.697% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   11 - HA    GLN   30  17.12 +/- 5.33   1.278% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  17.66 +/- 4.16   0.392% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  22.76 +/- 2.34   0.144% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.42 +/- 1.93   0.255% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.83 +/- 2.11   0.125% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.93 +/- 2.34   0.103% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.51 +/- 1.74   0.219% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  24.78 +/- 3.21   0.109% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  25.89 +/- 3.35   0.113% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 158.4:
    * O T HG2   GLN   30 - HA    GLN   30   3.04 +/- 0.57  89.075% * 93.6718% (1.00  10.0 10.00   5.74 159.18) =  99.458%  kept
          HB3   ASN   28 - HA    GLN   30   7.48 +/- 0.10   7.275% *  6.2319% (0.92   1.0  1.00   1.44  18.90) =   0.540%  kept
          HB3   HIS  122 - HA    GLN   30  21.79 +/- 6.07   3.134% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  22.00 +/- 3.84   0.516% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 159.2:
    * O T HA    GLN   30 - HB2   GLN   30   2.70 +/- 0.16  88.069% * 99.6678% (1.00  10.0 10.00   4.79 159.18) =  99.996%  kept
          HB    THR   39 - HB2   GLN   30   8.75 +/- 2.19   4.380% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB2   GLN   30  13.18 +/- 3.64   3.531% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB2   GLN   30   9.85 +/- 1.83   2.580% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  16.31 +/- 4.68   0.604% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.48 +/- 2.58   0.220% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.21 +/- 2.67   0.130% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  19.71 +/- 3.18   0.285% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.49 +/- 2.28   0.202% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.03, residual support = 159.2:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  94.848% * 98.9590% (1.00  10.0 10.00   5.03 159.18) =  99.998%  kept
          QB    LYS+  33 - HB2   GLN   30   5.55 +/- 0.79   4.035% *  0.0247% (0.25   1.0  1.00   0.02   0.47) =   0.001%
        T QB    LYS+ 106 - HB2   GLN   30  16.90 +/- 2.03   0.119% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  13.56 +/- 1.10   0.219% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  23.55 +/- 3.41   0.055% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.38 +/- 4.09   0.153% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  20.66 +/- 2.33   0.068% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.50 +/- 2.11   0.058% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.67 +/- 2.50   0.048% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  17.54 +/- 4.79   0.248% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.94 +/- 1.76   0.098% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  22.91 +/- 3.42   0.049% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 158.8:
    * O T HG2   GLN   30 - HB2   GLN   30   2.74 +/- 0.25  92.910% * 94.2845% (1.00  10.0 10.00   5.54 159.18) =  99.701%  kept
          HB3   ASN   28 - HB2   GLN   30   7.62 +/- 0.68   4.656% *  5.6186% (0.92   1.0  1.00   1.29  18.90) =   0.298%  kept
          HB3   HIS  122 - HB2   GLN   30  20.02 +/- 5.91   2.103% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - HB2   GLN   30  20.49 +/- 3.64   0.331% *  0.0648% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 159.2:
    * O T HA    GLN   30 - HB3   GLN   30   2.96 +/- 0.10  88.171% * 99.5115% (1.00  10.0 10.00   5.26 159.18) =  99.996%  kept
          HB    THR   39 - HB3   GLN   30   9.15 +/- 1.75   4.062% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   13 - HB3   GLN   30  13.89 +/- 3.88   2.787% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HB3   GLN   30  15.49 +/- 4.68   0.990% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HB3   GLN   30  21.62 +/- 2.42   0.270% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HB3   GLN   30  10.30 +/- 1.58   2.848% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.30 +/- 2.68   0.306% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  24.98 +/- 2.84   0.177% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  19.02 +/- 2.88   0.389% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.973, support = 5.08, residual support = 159.2:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  73.197% * 53.1733% (1.00  10.0 10.00   5.03 159.18) =  79.951%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.70 +/- 0.20  21.157% * 46.1240% (0.87  10.0  1.00   5.25 159.18) =  20.046%  kept
          HB3   PRO   68 - HB3   GLN   30  16.77 +/- 4.44   4.659% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   ARG+  54 - HB3   GLN   30  23.21 +/- 3.22   0.040% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  15.60 +/- 3.50   0.145% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.19 +/- 4.18   0.105% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.86 +/- 2.72   0.353% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.74 +/- 2.75   0.066% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.10 +/- 1.97   0.212% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  22.07 +/- 1.58   0.038% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.74 +/- 2.50   0.026% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 158.7:
    * O T HG2   GLN   30 - HB3   GLN   30   2.60 +/- 0.31  87.594% * 93.6791% (1.00  10.0 10.00   6.01 159.18) =  99.644%  kept
          HB3   ASN   28 - HB3   GLN   30   6.97 +/- 0.54   4.662% *  6.2246% (0.92   1.0  1.00   1.44  18.90) =   0.352%  kept
          HB3   HIS  122 - HB3   GLN   30  20.24 +/- 5.93   7.351% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 121 - HB3   GLN   30  20.57 +/- 3.69   0.393% *  0.0643% (0.69   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 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 159.2:
    * O T HA    GLN   30 - HG2   GLN   30   3.04 +/- 0.57  85.577% * 99.6678% (1.00  10.0 10.00   5.74 159.18) =  99.995%  kept
          QB    SER   13 - HG2   GLN   30  12.45 +/- 4.12   5.293% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - HG2   GLN   30   9.98 +/- 1.93   3.955% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG2   GLN   30  16.62 +/- 4.68   1.068% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - HG2   GLN   30  10.61 +/- 1.99   2.864% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HG2   GLN   30  21.90 +/- 2.76   0.335% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  25.53 +/- 2.84   0.207% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  20.70 +/- 2.93   0.384% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.20 +/- 2.51   0.318% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.9, support = 6.31, residual support = 159.2:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  76.124% * 46.1414% (0.87  10.0 10.00   6.56 159.18) =  75.314%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.74 +/- 0.25  21.643% * 53.1933% (1.00  10.0 10.00   5.54 159.18) =  24.685%  kept
          HB3   PRO   68 - HG2   GLN   30  17.03 +/- 4.53   1.085% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   93 - HG2   GLN   30  20.88 +/- 3.10   0.059% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  17.42 +/- 3.43   0.101% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.31 +/- 4.29   0.088% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  11.03 +/- 2.61   0.484% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.18 +/- 2.17   0.326% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.08 +/- 2.69   0.023% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  23.64 +/- 2.87   0.037% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  23.94 +/- 1.79   0.031% *  0.0491% (0.92   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 159.2:
    * O T HB3   GLN   30 - HG2   GLN   30   2.60 +/- 0.31  83.504% * 99.4599% (1.00  10.0 10.00   6.01 159.18) =  99.994%  kept
          QB    LYS+  33 - HG2   GLN   30   5.87 +/- 1.06  12.547% *  0.0248% (0.25   1.0  1.00   0.02   0.47) =   0.004%
          HB3   LYS+  38 - HG2   GLN   30  14.87 +/- 1.31   0.581% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   11 - HG2   GLN   30  16.62 +/- 5.29   1.566% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  21.37 +/- 2.62   0.250% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.36 +/- 2.54   0.193% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.43 +/- 3.95   0.428% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  23.30 +/- 2.64   0.136% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.38 +/- 1.79   0.276% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.77 +/- 1.73   0.232% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  23.67 +/- 3.26   0.131% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  23.96 +/- 3.03   0.155% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB2   LEU   31 - HA    LEU   31   3.00 +/- 0.02  83.294% * 99.2507% (1.00  10.0 10.00   6.00 231.30) =  99.986%  kept
          HG2   LYS+  38 - HA    LEU   31  10.18 +/- 1.40   3.809% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    LEU   31   9.67 +/- 3.46   4.595% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HA    LEU   31  11.80 +/- 2.65   2.068% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    LEU   31  13.97 +/- 4.09   1.281% *  0.0958% (0.97   1.0  1.00   0.02   0.37) =   0.001%
          HB3   ASP-  44 - HA    LEU   31  13.73 +/- 1.63   1.008% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   31  21.74 +/- 6.22   1.210% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LEU   31  15.87 +/- 2.48   0.822% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LEU   31  14.91 +/- 3.17   0.922% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  16.75 +/- 2.51   0.544% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.23 +/- 2.83   0.145% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  20.55 +/- 2.42   0.301% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB3   LEU   31 - HA    LEU   31   2.39 +/- 0.10  96.356% * 99.6763% (1.00  10.0 10.00   6.00 231.30) =  99.998%  kept
          QB    ALA   20 - HA    LEU   31  11.59 +/- 0.97   0.977% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    LEU   31  10.68 +/- 0.69   1.202% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    LEU   31  20.26 +/- 3.63   0.335% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  22.27 +/- 5.06   0.327% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  22.43 +/- 3.48   0.160% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.58 +/- 1.13   0.315% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.26 +/- 1.26   0.327% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.802, support = 5.94, residual support = 228.5:
    * O T HG    LEU   31 - HA    LEU   31   3.09 +/- 0.49  48.898% * 93.9426% (0.80  10.0 10.00   6.00 231.30) =  98.788%  kept
          QD2   LEU   73 - HA    LEU   31   6.79 +/- 2.34   9.424% *  5.8447% (0.92   1.0  1.00   1.08   1.62) =   1.185%  kept
          QG1   VAL   41 - HA    LEU   31   3.99 +/- 2.11  41.125% *  0.0293% (0.25   1.0  1.00   0.02   0.02) =   0.026%
          QD1   ILE   56 - HA    LEU   31  17.81 +/- 1.59   0.282% *  0.1171% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HA    LEU   31  21.57 +/- 4.97   0.271% *  0.0664% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.3:
    *   T QD1   LEU   31 - HA    LEU   31   3.65 +/- 0.18 100.000% *100.0000% (1.00 10.00   4.85 231.30) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.24 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.2:
    *   T QD2   LEU   31 - HA    LEU   31   2.66 +/- 0.72  87.353% * 99.6345% (1.00 10.00   5.74 231.30) =  99.973%  kept
        T QG2   VAL   43 - HA    LEU   31   8.40 +/- 2.57   8.401% *  0.2484% (0.25 10.00   0.02   0.02) =   0.024%
          QG2   VAL   83 - HA    LEU   31  11.22 +/- 3.18   2.791% *  0.0723% (0.73  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HA    LEU   31  13.22 +/- 2.33   1.455% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 2.94 A violated in 0 structures by 0.23 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HA    LEU   31 - HB2   LEU   31   3.00 +/- 0.02 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.30) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  98.607% * 99.6763% (1.00  10.0 10.00   6.00 231.30) =  99.999%  kept
          QG1   VAL   24 - HB2   LEU   31   9.47 +/- 0.63   0.664% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.43 +/- 0.93   0.304% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.83 +/- 3.65   0.080% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  23.33 +/- 3.40   0.053% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.26 +/- 1.21   0.110% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  23.84 +/- 5.05   0.064% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  16.87 +/- 1.26   0.117% *  0.0135% (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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.3:
    * O T HG    LEU   31 - HB2   LEU   31   2.61 +/- 0.30  80.811% * 99.6594% (0.80  10.0 10.00   6.01 231.30) =  99.988%  kept
          QD2   LEU   73 - HB2   LEU   31   8.00 +/- 2.33   4.422% *  0.1149% (0.92   1.0  1.00   0.02   1.62) =   0.006%
          QG1   VAL   41 - HB2   LEU   31   5.66 +/- 2.08  14.308% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.006%
          QD1   ILE   56 - HB2   LEU   31  18.77 +/- 1.57   0.261% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  23.07 +/- 4.97   0.197% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.3:
    * O T QD1   LEU   31 - HB2   LEU   31   2.59 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.30) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.3:
    * O T QD2   LEU   31 - HB2   LEU   31   2.77 +/- 0.51  89.943% * 99.6345% (1.00  10.0 10.00   5.75 231.30) =  99.981%  kept
        T QG2   VAL   43 - HB2   LEU   31   8.46 +/- 2.97   5.666% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.016%
          QG2   VAL   83 - HB2   LEU   31  10.47 +/- 3.66   3.111% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - HB2   LEU   31  12.93 +/- 2.70   1.280% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HA    LEU   31 - HB3   LEU   31   2.39 +/- 0.10 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.30) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.3:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  93.523% * 99.2507% (1.00  10.0 10.00   6.00 231.30) =  99.995%  kept
          HG2   LYS+  38 - HB3   LEU   31  11.06 +/- 2.11   2.830% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HB3   LEU   31   8.90 +/- 3.71   1.630% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HB3   LEU   31  11.81 +/- 2.73   0.513% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.30 +/- 4.51   0.419% *  0.0958% (0.97   1.0  1.00   0.02   0.37) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  13.91 +/- 2.01   0.224% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  16.63 +/- 2.71   0.157% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  13.97 +/- 3.60   0.289% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.40 +/- 6.01   0.148% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  15.44 +/- 2.91   0.162% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  25.90 +/- 2.76   0.033% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.32 +/- 2.76   0.071% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.0:
    * O T HG    LEU   31 - HB3   LEU   31   2.88 +/- 0.15  61.769% * 92.5281% (0.80  10.0 10.00   6.00 231.30) =  99.422%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.76 +/- 2.29   4.804% *  6.6736% (0.92   1.0 10.00   0.13   1.62) =   0.558%  kept
          QG1   VAL   41 - HB3   LEU   31   4.48 +/- 2.10  32.900% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.016%
        T HG3   LYS+ 121 - HB3   LEU   31  21.66 +/- 5.01   0.261% *  0.6542% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD1   ILE   56 - HB3   LEU   31  18.06 +/- 1.49   0.266% *  0.1153% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T QD1   LEU   31 - HB3   LEU   31   2.14 +/- 0.15 100.000% *100.0000% (1.00  10.0 10.00   4.86 231.30) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.2:
    * O T QD2   LEU   31 - HB3   LEU   31   2.80 +/- 0.30  87.016% * 99.6345% (1.00  10.0 10.00   5.75 231.30) =  99.972%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.94 +/- 2.91   8.446% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.024%
          QG2   VAL   83 - HB3   LEU   31  10.39 +/- 3.54   3.079% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE   89 - HB3   LEU   31  12.40 +/- 2.68   1.459% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 6.0, residual support = 231.3:
    * O T HA    LEU   31 - HG    LEU   31   3.09 +/- 0.49 100.000% *100.0000% (0.80  10.0 10.00   6.00 231.30) = 100.000%  kept
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.3:
    * O T HB2   LEU   31 - HG    LEU   31   2.61 +/- 0.30  85.056% * 99.2507% (0.80  10.0 10.00   6.01 231.30) =  99.988%  kept
          HG    LEU   98 - HG    LEU   31  10.21 +/- 3.34   5.619% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HG    LEU   31  11.65 +/- 4.25   1.756% *  0.0958% (0.77   1.0  1.00   0.02   0.37) =   0.002%
          HG2   LYS+  38 - HG    LEU   31  12.87 +/- 2.04   2.000% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HG    LEU   31  13.61 +/- 2.48   1.157% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG    LEU   31  12.64 +/- 2.08   1.039% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HG    LEU   31  15.70 +/- 3.00   0.828% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG    LEU   31  12.90 +/- 3.32   1.092% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   31  22.63 +/- 5.73   0.469% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  15.13 +/- 2.87   0.567% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.12 +/- 2.80   0.122% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.06 +/- 2.74   0.296% *  0.0372% (0.30   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 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.3:
    * O T HB3   LEU   31 - HG    LEU   31   2.88 +/- 0.15  91.236% * 99.4283% (0.80  10.0 10.00   6.00 231.30) =  99.994%  kept
          QG1   VAL   24 - HG    LEU   31   8.47 +/- 0.93   4.465% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  10.81 +/- 0.73   1.875% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HG    LEU   31  22.72 +/- 4.83   0.377% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HG    LEU   31  20.12 +/- 3.69   0.569% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG    LEU   31  21.40 +/- 3.56   0.303% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.09 +/- 1.24   0.575% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.68 +/- 1.18   0.600% *  0.0135% (0.11   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 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.98, residual support = 231.3:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.98 231.30) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.88, residual support = 231.3:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.01  92.165% * 99.6345% (0.80  10.0 10.00   5.89 231.30) =  99.984%  kept
        T QG2   VAL   43 - HG    LEU   31   6.98 +/- 2.81   5.173% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.014%
          QG2   VAL   83 - HG    LEU   31   9.34 +/- 3.51   1.968% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   89 - HG    LEU   31  11.73 +/- 2.58   0.694% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.3:
    *   T HA    LEU   31 - QD1   LEU   31   3.65 +/- 0.18 100.000% *100.0000% (1.00 10.00   4.85 231.30) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.2:
    * O T HB2   LEU   31 - QD1   LEU   31   2.59 +/- 0.17  71.109% * 99.2507% (1.00  10.0 10.00   4.87 231.30) =  99.975%  kept
          HG    LEU   98 - QD1   LEU   31   7.33 +/- 3.16  14.697% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.011%
          HB3   LEU   80 - QD1   LEU   31   9.23 +/- 3.78   3.278% *  0.0958% (0.97   1.0  1.00   0.02   0.37) =   0.004%
          HG2   LYS+  38 - QD1   LEU   31  11.07 +/- 1.92   2.793% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QD1   LEU   31  10.11 +/- 2.01   1.644% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD1   LEU   31  10.78 +/- 2.15   1.352% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - QD1   LEU   31   9.95 +/- 3.10   2.134% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD1   LEU   31  12.97 +/- 2.63   0.865% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD1   LEU   31  11.40 +/- 2.66   1.120% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD1   LEU   31  18.70 +/- 4.63   0.357% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.05 +/- 2.32   0.184% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.16 +/- 2.53   0.468% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 231.3:
    * O T HB3   LEU   31 - QD1   LEU   31   2.14 +/- 0.15  93.044% * 99.6763% (1.00  10.0 10.00   4.86 231.30) =  99.997%  kept
          QG1   VAL   24 - QD1   LEU   31   7.22 +/- 0.95   3.822% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - QD1   LEU   31   9.88 +/- 0.76   1.154% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - QD1   LEU   31  16.33 +/- 2.94   0.401% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  17.15 +/- 2.86   0.248% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.54 +/- 1.18   0.523% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  18.28 +/- 4.09   0.269% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.18 +/- 1.23   0.539% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 4.98, residual support = 231.2:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  76.064% * 99.0612% (0.80  10.0 10.00   4.98 231.30) =  99.939%  kept
          QD2   LEU   73 - QD1   LEU   31   5.85 +/- 1.74   5.586% *  0.7145% (0.92   1.0  1.00   0.13   1.62) =   0.053%
          QG1   VAL   41 - QD1   LEU   31   4.45 +/- 1.62  17.866% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          QD1   ILE   56 - QD1   LEU   31  13.95 +/- 1.38   0.285% *  0.1234% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  17.58 +/- 4.04   0.199% *  0.0700% (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 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 4.62, residual support = 231.2:
    * O T QD2   LEU   31 - QD1   LEU   31   2.04 +/- 0.06  79.558% * 99.6345% (1.00  10.0 10.00   4.62 231.30) =  99.948%  kept
        T QG2   VAL   43 - QD1   LEU   31   5.11 +/- 2.65  15.147% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.047%
          QG2   VAL   83 - QD1   LEU   31   7.06 +/- 3.11   3.881% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE   89 - QD1   LEU   31   8.78 +/- 2.45   1.415% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 231.3:
    *   T HA    LEU   31 - QD2   LEU   31   2.66 +/- 0.72  91.214% * 99.9324% (1.00 10.00   5.74 231.30) =  99.993%  kept
        T HA    LEU   31 - QG2   VAL   43   8.40 +/- 2.57   8.786% *  0.0676% (0.07 10.00   0.02   0.02) =   0.007%
    Distance limit 3.05 A violated in 0 structures by 0.19 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.75, residual support = 230.9:
    * O T HB2   LEU   31 - QD2   LEU   31   2.77 +/- 0.51  43.266% * 97.8801% (1.00  10.0 10.00   5.75 231.30) =  99.819%  kept
          HB3   ASP-  44 - QG2   VAL   43   5.91 +/- 0.57   6.149% *  0.9078% (0.05   1.0  1.00   3.42  16.45) =   0.132%  kept
          HG2   LYS+  38 - QD2   LEU   31  10.76 +/- 1.91   8.337% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.014%
        T QB    ALA   84 - QD2   LEU   31  10.56 +/- 2.71   1.091% *  0.4024% (0.41   1.0 10.00   0.02   0.02) =   0.010%
          HG    LEU   98 - QD2   LEU   31   8.49 +/- 2.86   3.469% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD2   LEU   31   9.29 +/- 3.50   1.876% *  0.0945% (0.97   1.0  1.00   0.02   0.37) =   0.004%
        T HB2   LEU   31 - QG2   VAL   43   8.46 +/- 2.97   2.574% *  0.0662% (0.07   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - QD2   LEU   31  10.00 +/- 1.77   1.584% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+  99 - QD2   LEU   31  11.40 +/- 2.36   1.190% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD2   LEU   31  12.64 +/- 2.48   0.986% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - QG2   VAL   43   6.00 +/- 1.73  12.626% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD2   LEU   31  18.55 +/- 4.71   0.525% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - QD2   LEU   31  12.51 +/- 2.21   0.635% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   VAL   43   7.45 +/- 1.75   4.045% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.70 +/- 2.32   0.143% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.45 +/- 2.16   0.373% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   6.68 +/- 1.43   4.393% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.39 +/- 1.82   1.481% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.59 +/- 1.40   2.389% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43  10.15 +/- 1.49   1.401% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.15 +/- 0.94   0.593% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.93 +/- 1.50   0.301% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.78 +/- 1.28   0.336% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.72 +/- 2.53   0.240% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 231.3:
    * O T HB3   LEU   31 - QD2   LEU   31   2.80 +/- 0.30  67.048% * 99.5873% (1.00  10.0 10.00   5.75 231.30) =  99.985%  kept
        T HB3   LEU   31 - QG2   VAL   43   7.94 +/- 2.91   6.502% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   24 - QD2   LEU   31   6.89 +/- 0.77   5.902% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   20 - QD2   LEU   31   8.61 +/- 0.59   2.531% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - QD2   LEU   31  16.35 +/- 3.06   0.438% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - QD2   LEU   31  17.43 +/- 2.91   0.409% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.95 +/- 2.30   5.834% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   9.32 +/- 2.39   2.919% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  13.17 +/- 1.17   0.703% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.84 +/- 1.00   0.745% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  18.67 +/- 4.02   0.320% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.63 +/- 1.76   0.745% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  13.02 +/- 1.92   0.866% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.58 +/- 1.00   2.061% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   9.00 +/- 1.10   2.471% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  16.27 +/- 3.05   0.508% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.799, support = 5.86, residual support = 230.1:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.01  51.050% * 97.9317% (0.80  10.0 10.00   5.89 231.30) =  99.483%  kept
          QG1   VAL   41 - QD2   LEU   31   4.37 +/- 1.71  15.803% *  0.8028% (0.25   1.0  1.00   0.53   0.02) =   0.252%  kept
          QD2   LEU   73 - QD2   LEU   31   4.64 +/- 2.19  13.044% *  0.7063% (0.92   1.0  1.00   0.13   1.62) =   0.183%  kept
          QD2   LEU   73 - QG2   VAL   43   5.41 +/- 2.30  13.469% *  0.2865% (0.06   1.0  1.00   0.75   2.76) =   0.077%
        T HG    LEU   31 - QG2   VAL   43   6.98 +/- 2.81   2.983% *  0.0663% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - QD2   LEU   31  13.95 +/- 1.35   0.196% *  0.1220% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  18.03 +/- 4.00   0.176% *  0.0692% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.19 +/- 0.95   2.716% *  0.0021% (0.02   1.0  1.00   0.02   1.44) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.11 +/- 1.20   0.368% *  0.0083% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  15.51 +/- 3.27   0.193% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.3:
    * O T QD1   LEU   31 - QD2   LEU   31   2.04 +/- 0.06  83.998% * 99.9324% (1.00  10.0 10.00   4.62 231.30) =  99.987%  kept
        T QD1   LEU   31 - QG2   VAL   43   5.11 +/- 2.65  16.002% *  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 = 0.687, support = 3.31, residual support = 38.5:
    * O T QB    GLN   32 - HA    GLN   32   2.47 +/- 0.06  49.268% * 48.1699% (0.69  10.0 10.00   3.10  44.70) =  79.469%  kept
        T QB    GLN   32 - HA    LYS+  33   4.02 +/- 0.16  11.439% * 49.5702% (0.71   1.0 10.00   4.43  15.56) =  18.988%  kept
        T QB    GLN   32 - HA    GLU-  29   2.97 +/- 0.53  33.301% *  1.3786% (0.45   1.0 10.00   0.09   0.02) =   1.537%  kept
          HG3   GLU- 100 - HA    GLN   32  12.14 +/- 3.65   0.815% *  0.0386% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    LYS+  33  13.15 +/- 3.25   0.505% *  0.0397% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - HA    GLU-  29  10.72 +/- 0.50   0.607% *  0.0311% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    LYS+  33  18.96 +/- 3.77   0.343% *  0.0458% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    GLN   32  19.99 +/- 3.82   0.282% *  0.0445% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.27 +/- 0.89   0.263% *  0.0477% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.18 +/- 4.62   0.339% *  0.0289% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.21 +/- 0.72   0.176% *  0.0491% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.68 +/- 4.75   1.193% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  16.78 +/- 3.53   0.209% *  0.0251% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  15.02 +/- 4.73   0.675% *  0.0076% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  27.00 +/- 2.69   0.043% *  0.0953% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  27.57 +/- 2.47   0.039% *  0.0981% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.75 +/- 3.35   0.030% *  0.0953% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  27.01 +/- 2.55   0.044% *  0.0620% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.88 +/- 4.72   0.364% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.99 +/- 3.39   0.027% *  0.0981% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  29.78 +/- 4.13   0.037% *  0.0620% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.28, residual support = 39.8:
    * O T QG    GLN   32 - HA    GLN   32   2.24 +/- 0.15  75.495% * 45.6107% (0.69  10.0 10.00   3.10  44.70) =  83.935%  kept
        T QG    GLN   32 - HA    LYS+  33   4.32 +/- 0.36  12.953% * 46.9365% (0.71   1.0 10.00   4.50  15.56) =  14.820%  kept
        T QG    GLN   32 - HA    GLU-  29   4.97 +/- 0.54   7.558% *  6.7177% (0.45   1.0 10.00   0.45   0.02) =   1.238%  kept
        T HB2   GLU- 100 - HA    GLN   32  11.51 +/- 4.02   1.058% *  0.1268% (0.19   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU- 100 - HA    LYS+  33  12.94 +/- 3.26   0.578% *  0.1305% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   GLU- 100 - HA    GLU-  29  16.20 +/- 3.79   0.274% *  0.0825% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLN   32  16.39 +/- 4.33   0.465% *  0.0396% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  17.42 +/- 3.66   0.298% *  0.0407% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  14.37 +/- 4.01   0.386% *  0.0257% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  29.40 +/- 3.27   0.042% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  28.88 +/- 3.02   0.043% *  0.0587% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.28 +/- 1.29   0.079% *  0.0277% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.23 +/- 1.49   0.065% *  0.0285% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.40 +/- 2.78   0.120% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.53 +/- 1.03   0.067% *  0.0180% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.76 +/- 3.12   0.147% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.45 +/- 1.96   0.084% *  0.0104% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  23.23 +/- 2.77   0.083% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  24.44 +/- 3.04   0.075% *  0.0104% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  23.16 +/- 2.97   0.088% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  28.30 +/- 2.60   0.042% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.709, support = 3.27, residual support = 37.6:
    * O T HA    GLN   32 - QB    GLN   32   2.47 +/- 0.06  51.703% * 45.7976% (0.69  10.0 10.00   3.10  44.70) =  77.093%  kept
        T HA    LYS+  33 - QB    GLN   32   4.02 +/- 0.16  12.004% * 50.9528% (0.76   1.0 10.00   4.43  15.56) =  19.913%  kept
        T HA    GLU-  29 - QB    GLN   32   2.97 +/- 0.53  34.939% *  2.6294% (0.90   1.0 10.00   0.09   0.02) =   2.991%  kept
          HA    VAL   18 - QB    GLN   32  13.81 +/- 2.04   0.428% *  0.0615% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    GLN   32  15.10 +/- 4.64   0.325% *  0.0643% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - QB    GLN   32  26.50 +/- 2.58   0.047% *  0.3245% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  14.57 +/- 1.69   0.276% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  22.34 +/- 3.55   0.093% *  0.0615% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  19.58 +/- 3.21   0.117% *  0.0484% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  24.47 +/- 2.90   0.068% *  0.0299% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 44.7:
    * O T QG    GLN   32 - QB    GLN   32   2.10 +/- 0.03  98.339% * 99.7611% (1.00  10.0 10.00   3.20  44.70) =  99.999%  kept
          QG    GLU-  79 - QB    GLN   32  14.19 +/- 3.66   0.493% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  12.51 +/- 3.47   0.726% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.00 +/- 1.08   0.101% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  18.57 +/- 2.55   0.169% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  21.32 +/- 2.51   0.111% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  26.15 +/- 2.65   0.060% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.704, support = 3.26, residual support = 39.1:
    * O T HA    GLN   32 - QG    GLN   32   2.24 +/- 0.15  77.693% * 41.3041% (0.69  10.0 10.00   3.10  44.70) =  81.933%  kept
        T HA    LYS+  33 - QG    GLN   32   4.32 +/- 0.36  13.331% * 45.9534% (0.76   1.0 10.00   4.50  15.56) =  15.641%  kept
        T HA    GLU-  29 - QG    GLN   32   4.97 +/- 0.54   7.778% * 12.2040% (0.90   1.0 10.00   0.45   0.02) =   2.424%  kept
          HA    VAL   18 - QG    GLN   32  15.30 +/- 2.07   0.344% *  0.0555% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  16.37 +/- 4.65   0.290% *  0.0580% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  25.61 +/- 2.75   0.062% *  0.2696% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  15.39 +/- 1.51   0.256% *  0.0270% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  20.60 +/- 3.24   0.114% *  0.0437% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  24.06 +/- 3.42   0.086% *  0.0555% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.11 +/- 2.39   0.046% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 44.7:
    * O T QB    GLN   32 - QG    GLN   32   2.10 +/- 0.03  97.738% * 99.6746% (1.00  10.0 10.00   3.20  44.70) =  99.999%  kept
          HG3   GLU- 100 - QG    GLN   32  12.33 +/- 3.28   0.820% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   24 - QG    GLN   32  13.63 +/- 1.10   0.388% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.70 +/- 3.51   0.287% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.64 +/- 4.65   0.667% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  26.04 +/- 2.52   0.058% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  29.22 +/- 3.00   0.042% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 0.979, support = 6.4, residual support = 150.1:
    * O T QB    LYS+  33 - HA    LYS+  33   2.17 +/- 0.04  68.914% * 73.8876% (1.00  10.0 10.00   6.50 154.33) =  97.079%  kept
        T QB    LYS+  33 - HA    GLN   32   5.36 +/- 0.14   4.599% * 19.0018% (0.26   1.0 10.00   4.88  15.56) =   1.666%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.25 +/- 1.58  13.346% *  4.8941% (0.28   1.0 10.00   0.47   0.02) =   1.245%  kept
        T QB    LYS+  81 - HA    LYS+  33  20.83 +/- 4.07   0.151% *  0.7131% (0.97   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HA    GLN   32  18.59 +/- 5.00   0.421% *  0.1834% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    LYS+  33  19.24 +/- 4.04   1.129% *  0.0682% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    GLU-  29  16.90 +/- 4.76   0.263% *  0.1991% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  33   7.93 +/- 0.36   1.463% *  0.0184% (0.25   1.0  1.00   0.02   0.47) =   0.001%
          HB3   LYS+  38 - HA    LYS+  33  10.18 +/- 0.41   0.684% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.89 +/- 0.34   3.590% *  0.0051% (0.07   1.0  1.00   0.02  26.55) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.06 +/- 3.97   0.619% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.15 +/- 3.03   0.141% *  0.0699% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.69 +/- 0.27   1.591% *  0.0047% (0.06   1.0  1.00   0.02   1.74) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  21.26 +/- 4.53   0.372% *  0.0190% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.69 +/- 1.95   0.095% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.01 +/- 1.68   0.094% *  0.0699% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.32 +/- 4.18   0.297% *  0.0180% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.59 +/- 2.88   0.026% *  0.1842% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  11.12 +/- 0.80   0.552% *  0.0078% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.29 +/- 4.18   0.155% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  28.17 +/- 2.42   0.034% *  0.0732% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.78 +/- 2.25   0.139% *  0.0180% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  18.79 +/- 1.76   0.114% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.18 +/- 3.47   0.030% *  0.0713% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.46 +/- 2.19   0.104% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  27.89 +/- 6.14   0.108% *  0.0184% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.17 +/- 1.14   0.218% *  0.0085% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.65 +/- 3.43   0.034% *  0.0514% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.58 +/- 2.08   0.037% *  0.0418% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.38 +/- 1.52   0.075% *  0.0202% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.37 +/- 2.66   0.029% *  0.0474% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  24.54 +/- 3.87   0.058% *  0.0204% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  25.19 +/- 3.46   0.052% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  28.48 +/- 3.80   0.043% *  0.0199% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  29.49 +/- 3.54   0.033% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  29.03 +/- 5.59   0.105% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.53 +/- 2.25   0.042% *  0.0117% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.61 +/- 1.86   0.040% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  27.73 +/- 5.64   0.088% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.97 +/- 1.61   0.030% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  25.97 +/- 2.69   0.045% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  26.82 +/- 2.38   0.040% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.95, support = 6.09, residual support = 144.7:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.45 +/- 0.26  47.865% * 72.7877% (1.00  10.0 10.00   6.28 154.33) =  93.248%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.97 +/- 0.72  10.541% * 18.7189% (0.26   1.0 10.00   4.22  15.56) =   5.281%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.41 +/- 1.20  10.980% *  4.8180% (0.28   1.0 10.00   0.47   0.02) =   1.416%  kept
        T HG3   LYS+ 102 - HA    LYS+  33  17.13 +/- 4.14   0.750% *  0.6885% (0.95   1.0 10.00   0.02   0.02) =   0.014%
        T HG3   LYS+ 102 - HA    GLN   32  14.31 +/- 5.35   2.022% *  0.1771% (0.24   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+  65 - HA    LYS+  33  21.33 +/- 3.13   0.282% *  0.7214% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HA    LYS+  33  21.16 +/- 1.87   0.232% *  0.5828% (0.80   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA   12 - HA    LYS+  33  14.91 +/- 4.66   2.198% *  0.0583% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 102 - HA    GLU-  29  18.38 +/- 5.27   0.619% *  0.1922% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+  33  13.73 +/- 2.75   1.048% *  0.0702% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    GLN   32  18.60 +/- 2.63   0.368% *  0.1499% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+  33  14.71 +/- 1.69   0.747% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    GLU-  29  21.36 +/- 2.76   0.249% *  0.2014% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  33  12.91 +/- 2.63   1.198% *  0.0383% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - HA    GLU-  29  20.78 +/- 2.59   0.257% *  0.1627% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HA    GLN   32  22.07 +/- 2.67   0.219% *  0.1855% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLU-  29  11.98 +/- 3.15   1.692% *  0.0196% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    GLN   32  10.82 +/- 3.53   2.685% *  0.0098% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    GLU-  29  15.98 +/- 4.78   1.580% *  0.0163% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    GLN   32  13.60 +/- 2.68   1.011% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  13.84 +/- 2.04   0.947% *  0.0186% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.18 +/- 2.18   0.729% *  0.0201% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.88 +/- 2.50   0.643% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.40 +/- 4.64   0.852% *  0.0150% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.39 +/- 3.52   1.151% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.42 +/- 2.85   0.813% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  29.09 +/- 3.21   0.092% *  0.0653% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  19.37 +/- 2.69   0.321% *  0.0162% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.08 +/- 3.66   1.722% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.66 +/- 4.00   0.378% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  26.12 +/- 4.85   0.228% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.12 +/- 2.09   0.684% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.92 +/- 2.20   0.550% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  14.91 +/- 5.13   0.867% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  16.11 +/- 3.60   0.598% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  15.21 +/- 3.67   0.775% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  17.06 +/- 3.51   0.537% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  26.43 +/- 2.12   0.118% *  0.0181% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  27.82 +/- 3.17   0.105% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  16.60 +/- 4.81   0.618% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  27.74 +/- 2.98   0.106% *  0.0168% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  25.14 +/- 4.77   0.182% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.23 +/- 2.68   0.159% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  27.14 +/- 4.19   0.136% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.73 +/- 2.50   0.148% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.12 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.95, support = 4.86, residual support = 144.5:
    *   T QD    LYS+  33 - HA    LYS+  33   3.84 +/- 0.71  58.801% * 75.0547% (1.00 10.00   5.03 154.33) =  93.151%  kept
        T QD    LYS+  33 - HA    GLN   32   6.76 +/- 0.85  11.737% * 19.3019% (0.26 10.00   3.34  15.56) =   4.782%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.22 +/- 0.99  22.680% *  4.3058% (0.28 10.00   0.41   0.02) =   2.061%  kept
        T HD3   LYS+ 111 - HA    LYS+  33  33.21 +/- 3.42   0.111% *  0.6731% (0.90 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HA    LYS+  33  18.37 +/- 3.62   1.533% *  0.0425% (0.57  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  33  22.50 +/- 2.44   0.377% *  0.0651% (0.87  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HA    GLU-  29  31.65 +/- 3.20   0.125% *  0.1879% (0.25 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  31.44 +/- 2.89   0.131% *  0.1731% (0.23 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.58 +/- 2.89   1.383% *  0.0119% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  28.71 +/- 6.77   0.215% *  0.0751% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.30 +/- 3.16   1.062% *  0.0109% (0.15  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.69 +/- 2.56   0.457% *  0.0182% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  21.96 +/- 2.38   0.413% *  0.0167% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  28.57 +/- 6.31   0.205% *  0.0193% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  30.04 +/- 6.21   0.175% *  0.0210% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  30.29 +/- 4.21   0.169% *  0.0149% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  28.54 +/- 4.29   0.236% *  0.0041% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  29.63 +/- 4.16   0.188% *  0.0038% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.24 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.751, support = 5.18, residual support = 108.3:
    *   T QE    LYS+  33 - HA    LYS+  33   4.00 +/- 0.75  24.166% * 48.5742% (1.00 10.00   5.71 154.33) =  66.061%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.17 +/- 0.21  21.412% * 13.2928% (0.27 10.00   5.76  32.17) =  16.018%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.54 +/- 0.29   9.402% * 16.5691% (0.34 10.00   2.95   5.55) =   8.767%  kept
        T HB2   ASN   35 - HA    GLN   32   4.66 +/- 0.82  17.832% *  4.2611% (0.09 10.00   2.05   3.38) =   4.276%  kept
        T QE    LYS+  33 - HA    GLN   32   6.92 +/- 1.29   5.157% * 12.4919% (0.26 10.00   3.58  15.56) =   3.626%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.87 +/- 1.41   6.433% *  3.2196% (0.28 10.00   0.47   0.02) =   1.166%  kept
        T HB2   ASN   28 - HA    LYS+  33  10.40 +/- 0.99   1.483% *  0.4761% (0.98 10.00   0.02   0.02) =   0.040%
        T HB2   ASN   28 - HA    GLN   32   8.30 +/- 0.84   2.985% *  0.1224% (0.25 10.00   0.02   0.02) =   0.021%
        T HB2   ASP-  76 - HA    LYS+  33  19.18 +/- 4.25   0.991% *  0.1081% (0.22 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  65 - HA    LYS+  33  20.01 +/- 2.77   0.208% *  0.4356% (0.90 10.00   0.02   0.02) =   0.005%
        T HB2   ASN   35 - HA    GLU-  29   9.66 +/- 0.92   1.752% *  0.0463% (0.10 10.00   0.02   0.02) =   0.005%
        T HB2   ASP-  76 - HA    GLN   32  17.93 +/- 4.90   2.786% *  0.0278% (0.06 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HA    GLU-  29  19.94 +/- 2.64   0.210% *  0.1216% (0.25 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HA    GLN   32  20.75 +/- 2.42   0.178% *  0.1120% (0.23 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    GLU-  29  16.18 +/- 3.74   0.522% *  0.0302% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    LYS+  33  23.04 +/- 4.86   0.449% *  0.0314% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    GLN   32  21.40 +/- 5.72   1.238% *  0.0081% (0.17  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    LYS+  33  20.04 +/- 3.77   0.244% *  0.0334% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  16.75 +/- 5.21   0.545% *  0.0093% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  16.83 +/- 4.77   0.496% *  0.0086% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  16.83 +/- 3.30   0.481% *  0.0075% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  19.56 +/- 4.16   0.305% *  0.0088% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.80 +/- 3.72   0.347% *  0.0021% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.83 +/- 3.52   0.375% *  0.0019% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 0.986, support = 6.22, residual support = 145.5:
    * O T HA    LYS+  33 - QB    LYS+  33   2.17 +/- 0.04  74.942% * 66.0861% (1.00  10.0 10.00   6.50 154.33) =  94.081%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.25 +/- 1.58  14.507% * 15.1312% (0.97   1.0 10.00   0.47   0.02) =   4.170%  kept
        T HA    GLN   32 - QB    LYS+  33   5.36 +/- 0.14   5.002% * 18.3744% (0.28   1.0 10.00   4.88  15.56) =   1.746%  kept
          HB2   SER   37 - QB    LYS+  33   6.28 +/- 1.02   3.866% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QB    LYS+  33  11.63 +/- 1.96   0.704% *  0.0625% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QB    LYS+  33  12.52 +/- 1.62   0.483% *  0.0573% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QB    LYS+  33  17.39 +/- 3.35   0.177% *  0.0593% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.77 +/- 3.61   0.094% *  0.0573% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.34 +/- 2.48   0.049% *  0.1020% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.38 +/- 3.15   0.100% *  0.0348% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  21.97 +/- 1.77   0.076% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 154.3:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.46 +/- 0.08  89.585% * 96.3761% (1.00  10.0 10.00   6.22 154.33) =  99.973%  kept
        T HG3   LYS+  65 - QB    LYS+  33  17.80 +/- 3.07   0.689% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.008%
        T QB    LEU   98 - QB    LYS+  33  11.82 +/- 2.34   1.010% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - QB    LYS+  33  16.25 +/- 3.59   0.538% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   12 - QB    LYS+  33  12.24 +/- 4.06   2.668% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QB    LYS+  33  19.00 +/- 1.86   0.211% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - QB    LYS+  33  10.88 +/- 2.55   1.579% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QB    LYS+  33  12.70 +/- 1.76   0.759% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    LYS+  33  13.64 +/- 2.23   0.971% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  13.33 +/- 2.63   0.715% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  25.20 +/- 3.14   0.104% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  23.11 +/- 4.64   0.299% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  16.77 +/- 2.18   0.326% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  15.76 +/- 3.38   0.423% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  22.74 +/- 1.97   0.123% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 154.3:
    * O T QD    LYS+  33 - QB    LYS+  33   2.22 +/- 0.14  96.878% * 97.3258% (1.00  10.0 10.00   5.02 154.33) =  99.979%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.98 +/- 3.34   2.069% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   LEU  123 - QB    LYS+  33  25.16 +/- 6.24   0.733% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T HD3   LYS+ 111 - QB    LYS+  33  29.01 +/- 3.31   0.057% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  33  19.32 +/- 2.23   0.186% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  25.92 +/- 3.68   0.078% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.75, residual support = 154.0:
    *   T QE    LYS+  33 - QB    LYS+  33   2.74 +/- 0.50  83.793% * 96.4774% (1.00 10.00   5.76 154.33) =  99.804%  kept
          HB2   ASN   35 - QB    LYS+  33   6.82 +/- 0.24   6.570% *  2.2044% (0.34  1.00   1.34   5.55) =   0.179%  kept
        T QE    LYS+  65 - QB    LYS+  33  16.72 +/- 2.74   0.630% *  0.8652% (0.90 10.00   0.02   0.02) =   0.007%
          HB2   ASN   28 - QB    LYS+  33   8.49 +/- 1.24   4.498% *  0.0946% (0.98  1.00   0.02   0.02) =   0.005%
        T HB2   ASP-  76 - QB    LYS+  33  16.05 +/- 3.15   1.575% *  0.2148% (0.22 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  78 - QB    LYS+  33  19.59 +/- 3.54   0.720% *  0.0624% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  33  17.61 +/- 3.30   0.509% *  0.0663% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  14.76 +/- 3.02   1.704% *  0.0149% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.956, support = 5.87, residual support = 138.7:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.45 +/- 0.26  38.365% * 63.2438% (1.00  10.0 10.00   6.28 154.33) =  89.268%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.97 +/- 0.72   8.775% * 17.5841% (0.28   1.0 10.00   4.22  15.56) =   5.677%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.41 +/- 1.20   9.117% * 14.4706% (0.97   1.0 10.00   0.47   0.02) =   4.854%  kept
          HA    VAL   18 - HG3   LYS+  65   9.32 +/- 3.24   3.752% *  0.9587% (0.82   1.0  1.00   0.37   0.02) =   0.132%  kept
          HA    SER   48 - HG3   LYS+  65  15.36 +/- 6.75   9.961% *  0.0287% (0.45   1.0  1.00   0.02   0.02) =   0.011%
        T HA    LYS+  33 - HG3   LYS+ 102  17.13 +/- 4.14   0.624% *  0.3142% (0.50   1.0 10.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HG3   LYS+  33   6.33 +/- 2.08  11.900% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.006%
        T HA    GLU-  29 - HG3   LYS+ 102  18.38 +/- 5.27   0.508% *  0.3032% (0.48   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLN   32 - HG3   LYS+ 102  14.31 +/- 5.35   1.678% *  0.0873% (0.14   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  33 - HG3   LYS+  65  21.33 +/- 3.13   0.237% *  0.5461% (0.86   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU-  29 - HG3   LYS+  65  21.36 +/- 2.76   0.207% *  0.5271% (0.83   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HG3   LYS+ 106  20.78 +/- 2.59   0.208% *  0.3878% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   18 - HG3   LYS+  33  11.52 +/- 1.98   1.341% *  0.0598% (0.95   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  33 - HG3   LYS+ 106  21.16 +/- 1.87   0.189% *  0.4019% (0.64   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - HG3   LYS+  33  12.38 +/- 1.94   1.187% *  0.0549% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HG3   LYS+  65  12.01 +/- 1.36   1.092% *  0.0474% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HG3   LYS+  65  14.00 +/- 1.77   0.723% *  0.0474% (0.75   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 106  18.60 +/- 2.63   0.298% *  0.1117% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 106  14.52 +/- 3.13   0.805% *  0.0349% (0.55   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+  65  22.07 +/- 2.67   0.181% *  0.1518% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+ 102  19.31 +/- 4.26   0.765% *  0.0282% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   LYS+ 106  14.72 +/- 2.09   0.606% *  0.0349% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+ 102  16.19 +/- 2.93   0.726% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+  33  19.37 +/- 3.98   0.305% *  0.0567% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - HG3   LYS+ 106  21.13 +/- 2.66   0.225% *  0.0620% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG3   LYS+ 106  17.90 +/- 2.67   0.366% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  13.62 +/- 2.43   1.023% *  0.0124% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  19.28 +/- 2.83   0.286% *  0.0380% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  25.05 +/- 3.45   0.153% *  0.0549% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.07 +/- 3.09   0.653% *  0.0122% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  20.08 +/- 3.02   0.367% *  0.0211% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  17.30 +/- 4.63   0.875% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  23.55 +/- 3.19   0.146% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.64 +/- 3.86   0.234% *  0.0297% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  23.72 +/- 3.59   0.164% *  0.0333% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.58 +/- 3.04   0.721% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.89 +/- 2.41   0.150% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  18.39 +/- 2.53   0.319% *  0.0097% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  23.93 +/- 2.54   0.134% *  0.0195% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.90 +/- 4.43   0.137% *  0.0169% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.84 +/- 1.74   0.239% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  26.65 +/- 2.94   0.106% *  0.0165% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.01 +/- 2.54   0.082% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.21 +/- 2.34   0.071% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.839, support = 6.08, residual support = 144.5:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.46 +/- 0.08  35.621% * 52.2827% (1.00  10.0 10.00   6.22 154.33) =  59.789%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.40 +/- 0.10  38.289% * 31.4276% (0.60  10.0 10.00   5.94 134.30) =  38.632%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.65 +/- 0.56   3.387% *  7.5957% (0.62   1.0  1.00   4.66  24.63) =   0.826%  kept
          HB    ILE  103 - HG3   LYS+ 102   5.38 +/- 0.78   4.236% *  5.3421% (0.47   1.0  1.00   4.35  23.64) =   0.727%  kept
        T QB    LYS+ 106 - HG3   LYS+ 102  10.73 +/- 1.41   0.518% *  0.2457% (0.47   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE  103 - HG3   LYS+ 106   6.00 +/- 1.72   3.789% *  0.0314% (0.60   1.0  1.00   0.02   0.02) =   0.004%
        T QB    LYS+  33 - HG3   LYS+  65  17.80 +/- 3.07   0.263% *  0.4515% (0.86   1.0 10.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - HG3   LYS+  33  17.09 +/- 3.91   1.837% *  0.0483% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   30 - HG3   LYS+  33   5.48 +/- 0.89   4.236% *  0.0130% (0.25   1.0  1.00   0.02   0.47) =   0.002%
        T QB    LYS+  33 - HG3   LYS+ 102  16.25 +/- 3.59   0.190% *  0.2597% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  65  18.04 +/- 2.29   0.110% *  0.4271% (0.82   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 106 - HG3   LYS+  33  19.00 +/- 1.87   0.084% *  0.4946% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  65  10.19 +/- 1.88   0.785% *  0.0417% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   LYS+ 106  19.00 +/- 1.86   0.084% *  0.3322% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HG3   LYS+ 102  14.06 +/- 3.41   1.427% *  0.0107% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  15.50 +/- 4.18   0.345% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.32 +/- 1.33   0.442% *  0.0255% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.59 +/- 1.17   0.502% *  0.0215% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  19.64 +/- 3.95   0.124% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  17.80 +/- 3.32   0.119% *  0.0495% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  13.68 +/- 1.21   0.229% *  0.0256% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  15.33 +/- 1.74   0.174% *  0.0329% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  18.26 +/- 3.35   0.181% *  0.0307% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  18.37 +/- 2.16   0.102% *  0.0443% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.55 +/- 1.95   0.081% *  0.0512% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  17.55 +/- 2.31   0.125% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  20.47 +/- 3.37   0.090% *  0.0436% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  20.56 +/- 3.34   0.143% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  15.67 +/- 3.10   0.235% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  24.44 +/- 4.46   0.056% *  0.0447% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  22.11 +/- 2.35   0.057% *  0.0427% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  16.17 +/- 2.51   0.211% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  17.10 +/- 2.24   0.124% *  0.0188% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.81 +/- 6.11   0.173% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.20 +/- 3.16   0.072% *  0.0240% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.25 +/- 3.53   0.147% *  0.0113% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.40 +/- 1.96   0.051% *  0.0321% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  26.67 +/- 2.71   0.031% *  0.0518% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  27.37 +/- 3.24   0.032% *  0.0505% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  20.75 +/- 2.69   0.081% *  0.0186% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  22.16 +/- 2.20   0.053% *  0.0257% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  19.62 +/- 5.20   0.184% *  0.0070% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.69 +/- 1.89   0.091% *  0.0137% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.41 +/- 4.09   0.175% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.01 +/- 1.86   0.036% *  0.0296% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.70 +/- 1.91   0.105% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  19.07 +/- 3.60   0.098% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.94 +/- 1.93   0.157% *  0.0051% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  20.60 +/- 3.12   0.079% *  0.0083% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.12 +/- 3.01   0.041% *  0.0147% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  29.95 +/- 3.53   0.023% *  0.0251% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.51 +/- 5.23   0.060% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.98 +/- 2.77   0.025% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  26.80 +/- 1.84   0.029% *  0.0081% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.35 +/- 1.77   0.039% *  0.0040% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.11 +/- 2.48   0.023% *  0.0065% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 154.3:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.41 +/- 0.16  83.040% * 94.8130% (1.00  10.0 10.00   4.54 154.33) =  99.976%  kept
        T QD    LYS+  33 - HG3   LYS+  65  16.51 +/- 2.76   0.550% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HG3   LYS+  65   9.87 +/- 3.96   8.571% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HG3   LYS+ 102  17.35 +/- 3.84   0.392% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG3   LYS+ 106  16.76 +/- 2.38   0.330% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HG3   LYS+  65  21.53 +/- 3.94   0.233% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   LYS+ 106  19.45 +/- 1.93   0.175% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG3   LYS+  33  15.61 +/- 3.55   1.820% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+  65  10.87 +/- 2.00   1.299% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG3   LYS+  33  26.73 +/- 6.77   0.442% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.05 +/- 3.50   0.047% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG3   LYS+ 102  26.60 +/- 2.94   0.075% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  17.25 +/- 3.40   0.341% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  15.68 +/- 4.78   1.111% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.13 +/- 2.06   0.341% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  20.29 +/- 2.22   0.160% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  19.90 +/- 4.35   0.219% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  18.53 +/- 2.08   0.211% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  21.89 +/- 3.12   0.172% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  24.89 +/- 5.88   0.111% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.91 +/- 2.74   0.116% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  27.44 +/- 3.97   0.075% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.80 +/- 2.17   0.113% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  30.30 +/- 4.02   0.056% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.899, support = 4.87, residual support = 155.8:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.55 +/- 0.58  45.142% * 54.6859% (1.00  10.0 10.00   5.31 154.33) =  55.073%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.43 +/- 0.38  47.538% * 42.3520% (0.77  10.0 10.00   4.34 157.75) =  44.916%  kept
        T QE    LYS+  33 - HG3   LYS+  65  16.93 +/- 2.56   0.179% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+  33  17.49 +/- 2.52   0.162% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+ 102  17.29 +/- 4.18   0.233% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.61 +/- 1.14   0.763% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  33  17.15 +/- 3.61   0.273% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.55 +/- 2.33   0.092% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  19.45 +/- 2.60   0.102% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG3   LYS+  33   7.56 +/- 0.37   1.463% *  0.0187% (0.34   1.0  1.00   0.02   5.55) =   0.001%
        T HB2   ASP-  76 - HG3   LYS+  65  15.30 +/- 3.45   0.254% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.69 +/- 2.61   0.052% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  12.56 +/- 2.55   0.420% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  18.45 +/- 2.26   0.119% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  22.27 +/- 3.30   0.110% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.98 +/- 2.96   0.132% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  13.51 +/- 4.53   0.538% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  18.38 +/- 4.05   0.158% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  21.19 +/- 4.08   0.131% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  15.15 +/- 3.55   0.224% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  15.07 +/- 3.28   0.489% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  19.23 +/- 3.93   0.108% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.90 +/- 5.01   0.137% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.87 +/- 2.87   0.090% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  24.99 +/- 4.23   0.136% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.60 +/- 1.88   0.303% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  22.61 +/- 3.32   0.064% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.86 +/- 2.38   0.078% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.12 +/- 2.47   0.103% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.09 +/- 2.65   0.064% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  17.58 +/- 4.01   0.165% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.55 +/- 3.81   0.178% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.962, support = 4.63, residual support = 136.8:
    *   T HA    LYS+  33 - QD    LYS+  33   3.84 +/- 0.71  42.313% * 66.4220% (1.00 10.00   5.03 154.33) =  88.148%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.22 +/- 0.99  16.632% * 13.1718% (0.97 10.00   0.41   0.02) =   6.871%  kept
        T HA    GLN   32 - QD    LYS+  33   6.76 +/- 0.85   8.545% * 18.4678% (0.28 10.00   3.34  15.56) =   4.950%  kept
          HB2   SER   37 - QD    LYS+  33   6.38 +/- 1.86  17.952% *  0.0148% (0.22  1.00   0.02   0.02) =   0.008%
          HA    VAL   18 - QD    LYS+  33  10.09 +/- 1.80   3.778% *  0.0628% (0.95  1.00   0.02   0.02) =   0.007%
          HA    VAL   70 - QD    LYS+  33  11.87 +/- 2.05   2.383% *  0.0576% (0.87  1.00   0.02   0.02) =   0.004%
          HA    GLN  116 - HD3   LYS+ 111  12.36 +/- 1.34   1.822% *  0.0516% (0.78  1.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HD3   LYS+ 111  31.65 +/- 3.20   0.088% *  0.5744% (0.86 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  33 - HD3   LYS+ 111  33.21 +/- 3.42   0.075% *  0.5952% (0.90 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QD    LYS+  33  18.05 +/- 3.71   0.639% *  0.0596% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HD3   LYS+ 111  14.35 +/- 4.86   2.741% *  0.0092% (0.14  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HD3   LYS+ 111  18.05 +/- 4.00   0.648% *  0.0313% (0.47  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HD3   LYS+ 111  23.10 +/- 4.17   0.324% *  0.0516% (0.78  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HD3   LYS+ 111  31.44 +/- 2.89   0.090% *  0.1655% (0.25 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  23.18 +/- 2.94   0.238% *  0.0576% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  24.84 +/- 3.49   0.220% *  0.0563% (0.85  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  21.52 +/- 3.33   0.348% *  0.0349% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.52 +/- 3.16   0.466% *  0.0184% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  26.65 +/- 2.84   0.159% *  0.0534% (0.80  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  22.48 +/- 2.35   0.264% *  0.0205% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.46 +/- 1.99   0.175% *  0.0102% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.29 +/- 3.77   0.099% *  0.0133% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 0.999, support = 5.01, residual support = 154.1:
    * O T QB    LYS+  33 - QD    LYS+  33   2.22 +/- 0.14  74.738% * 92.7834% (1.00  10.0 10.00   5.02 154.33) =  99.822%  kept
          HB3   GLN   30 - QD    LYS+  33   5.46 +/- 0.82   6.379% *  1.5115% (0.25   1.0  1.00   1.31   0.47) =   0.139%  kept
        T HG3   PRO   68 - QD    LYS+  33  15.73 +/- 3.59   1.757% *  0.8565% (0.92   1.0 10.00   0.02   0.02) =   0.022%
        T HG3   PRO   68 - HD3   LYS+ 111  23.19 +/- 4.85   0.431% *  0.7675% (0.83   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.23 +/- 3.75   0.303% *  0.8024% (0.86   1.0 10.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - HD3   LYS+ 111  12.49 +/- 5.57  10.461% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU  123 - QD    LYS+  33  23.74 +/- 5.32   0.365% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - QD    LYS+  33  24.77 +/- 2.87   0.063% *  0.8954% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HD3   LYS+ 111  29.01 +/- 3.31   0.044% *  0.8314% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   LYS+ 111  13.61 +/- 2.13   0.439% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  12.98 +/- 3.16   0.642% *  0.0471% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.69 +/- 1.13   0.781% *  0.0381% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  19.77 +/- 1.84   0.122% *  0.2073% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.70 +/- 3.60   1.808% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  17.13 +/- 3.63   0.270% *  0.0824% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  18.02 +/- 3.60   0.192% *  0.0895% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.45 +/- 2.99   0.188% *  0.0878% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  17.44 +/- 2.23   0.190% *  0.0815% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.88 +/- 1.73   0.161% *  0.0909% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  18.17 +/- 1.87   0.158% *  0.0878% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  22.20 +/- 3.07   0.091% *  0.0802% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  21.93 +/- 2.49   0.090% *  0.0787% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.74 +/- 2.66   0.060% *  0.0920% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.96 +/- 1.70   0.077% *  0.0525% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.44 +/- 2.25   0.050% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.36 +/- 3.61   0.033% *  0.0342% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.27 +/- 3.12   0.049% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  24.67 +/- 2.07   0.058% *  0.0143% (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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 153.5:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.41 +/- 0.16  78.555% * 79.1544% (1.00  10.0 10.00   4.54 154.33) =  99.312%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.95 +/- 1.14   2.713% * 15.1079% (0.80   1.0  1.00   4.75  28.63) =   0.655%  kept
          QB    ALA   12 - QD    LYS+  33  10.87 +/- 3.74   6.557% *  0.0634% (0.80   1.0  1.00   0.02   0.02) =   0.007%
        T HG3   LYS+  65 - QD    LYS+  33  16.51 +/- 2.76   0.519% *  0.7845% (0.99   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 102 - QD    LYS+  33  17.35 +/- 3.84   0.374% *  0.7488% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LEU   73 - QD    LYS+  33  10.05 +/- 3.32   2.391% *  0.0764% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 106 - HD3   LYS+ 111  16.76 +/- 2.38   0.311% *  0.5680% (0.72   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HD3   LYS+ 111  21.53 +/- 3.94   0.220% *  0.7030% (0.89   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QD    LYS+  33  19.45 +/- 1.93   0.166% *  0.6338% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD    LYS+  33  12.40 +/- 2.40   0.821% *  0.0785% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HD3   LYS+ 111  26.60 +/- 2.94   0.071% *  0.6710% (0.85   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HD3   LYS+ 111  10.71 +/- 3.39   2.649% *  0.0177% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HD3   LYS+ 111  18.38 +/- 2.89   0.235% *  0.1769% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    LYS+  33  12.36 +/- 2.70   0.785% *  0.0416% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.05 +/- 3.50   0.044% *  0.7093% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.63 +/- 2.22   0.761% *  0.0220% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  22.74 +/- 5.51   0.219% *  0.0685% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  20.14 +/- 3.46   0.203% *  0.0703% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.96 +/- 2.79   0.540% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  24.55 +/- 2.57   0.089% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  20.02 +/- 2.04   0.160% *  0.0373% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.41 +/- 2.84   0.306% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  16.90 +/- 2.65   0.271% *  0.0176% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  15.85 +/- 4.02   0.368% *  0.0122% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  30.80 +/- 4.16   0.050% *  0.0568% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  22.96 +/- 3.84   0.137% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.60 +/- 3.12   0.130% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.20 +/- 2.32   0.118% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.15 +/- 3.55   0.126% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  23.09 +/- 2.84   0.112% *  0.0109% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.08 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 = 4.34, residual support = 154.3:
    * O T QE    LYS+  33 - QD    LYS+  33   2.09 +/- 0.02  94.311% * 96.5704% (1.00  10.0 10.00   4.34 154.33) =  99.990%  kept
        T QE    LYS+  65 - QD    LYS+  33  15.47 +/- 2.51   0.427% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QE    LYS+  65 - HD3   LYS+ 111  20.22 +/- 3.79   0.188% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   28 - QD    LYS+  33   9.07 +/- 1.01   1.361% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - QD    LYS+  33  15.55 +/- 3.13   0.383% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QD    LYS+  33   8.18 +/- 0.68   1.715% *  0.0329% (0.34   1.0  1.00   0.02   5.55) =   0.001%
        T QE    LYS+  33 - HD3   LYS+ 111  28.89 +/- 3.19   0.042% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.13 +/- 2.23   0.079% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  19.17 +/- 3.50   0.211% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  18.33 +/- 3.79   0.180% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  14.12 +/- 2.92   0.752% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.70 +/- 2.77   0.089% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.85 +/- 3.18   0.085% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.77 +/- 3.63   0.041% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  25.25 +/- 4.61   0.109% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.74 +/- 3.26   0.028% *  0.0295% (0.31   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 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.959, support = 5.22, residual support = 135.9:
    *   T HA    LYS+  33 - QE    LYS+  33   4.00 +/- 0.75  25.593% * 64.9970% (1.00 10.00   5.71 154.33) =  87.552%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.87 +/- 1.41   9.045% * 14.8919% (0.97 10.00   0.47   0.02) =   7.090%  kept
        T HA    GLN   32 - QE    LYS+  33   6.92 +/- 1.29   5.439% * 18.0716% (0.28 10.00   3.58  15.56) =   5.173%  kept
          HA    VAL   18 - QE    LYS+  65   9.42 +/- 2.83   3.733% *  0.5865% (0.49  1.00   0.37   0.02) =   0.115%  kept
          HB2   SER   37 - QE    LYS+  33   5.88 +/- 2.75  20.338% *  0.0145% (0.22  1.00   0.02   0.02) =   0.015%
          HA    SER   48 - QE    LYS+  65  14.26 +/- 6.43  11.118% *  0.0176% (0.27  1.00   0.02   0.02) =   0.010%
          HA    VAL   18 - QE    LYS+  33  10.67 +/- 1.99   2.012% *  0.0615% (0.95  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  33 - HB2   ASP-  76  19.18 +/- 4.25   1.255% *  0.0969% (0.15 10.00   0.02   0.02) =   0.006%
        T HA    GLN   32 - HB2   ASP-  76  17.93 +/- 4.90   3.524% *  0.0270% (0.04 10.00   0.02   0.02) =   0.005%
          HA    VAL   70 - QE    LYS+  33  11.91 +/- 2.50   1.469% *  0.0564% (0.87  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  33 - QE    LYS+  65  20.01 +/- 2.77   0.246% *  0.3341% (0.51 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - QE    LYS+  65  19.94 +/- 2.64   0.246% *  0.3225% (0.50 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HB2   ASP-  76  16.18 +/- 3.74   0.651% *  0.0936% (0.14 10.00   0.02   0.02) =   0.003%
          HA    VAL   70 - QE    LYS+  65  12.10 +/- 1.15   0.955% *  0.0290% (0.45  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76  11.20 +/- 4.55   5.190% *  0.0051% (0.08  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  65  13.34 +/- 1.87   0.785% *  0.0290% (0.45  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - QE    LYS+  33  18.62 +/- 3.64   0.357% *  0.0583% (0.90  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - QE    LYS+  65  20.75 +/- 2.42   0.201% *  0.0929% (0.14 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASP-  76  10.77 +/- 1.56   1.930% *  0.0087% (0.13  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - QE    LYS+  33  23.47 +/- 2.92   0.158% *  0.0564% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.84 +/- 4.60   0.936% *  0.0092% (0.14  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  22.20 +/- 3.43   0.210% *  0.0342% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  17.16 +/- 2.61   0.702% *  0.0074% (0.11  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  22.00 +/- 3.57   0.163% *  0.0300% (0.46  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  15.80 +/- 4.61   0.750% *  0.0052% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  16.75 +/- 1.66   0.388% *  0.0084% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.96 +/- 2.39   0.152% *  0.0201% (0.31  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  20.30 +/- 2.81   0.241% *  0.0084% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.79 +/- 1.65   0.587% *  0.0030% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  23.31 +/- 4.51   0.157% *  0.0103% (0.16  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  19.76 +/- 3.64   0.689% *  0.0022% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  16.70 +/- 4.19   0.679% *  0.0015% (0.02  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.04 +/- 2.02   0.100% *  0.0100% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.11 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 0.999, support = 5.76, residual support = 154.2:
    *   T QB    LYS+  33 - QE    LYS+  33   2.74 +/- 0.50  59.686% * 97.7381% (1.00 10.00   5.76 154.33) =  99.947%  kept
          HB3   GLN   30 - QE    LYS+  33   6.35 +/- 0.88   6.625% *  0.2406% (0.25  1.00   0.20   0.47) =   0.027%
          HG2   ARG+  54 - QE    LYS+  65  13.90 +/- 4.18   6.172% *  0.0485% (0.50  1.00   0.02   0.02) =   0.005%
        T QB    LYS+  33 - QE    LYS+  65  16.72 +/- 2.74   0.448% *  0.5024% (0.51 10.00   0.02   0.02) =   0.004%
        T QB    LYS+  33 - HB2   ASP-  76  16.05 +/- 3.15   1.116% *  0.1458% (0.15 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - QE    LYS+  33  15.70 +/- 3.57   1.429% *  0.0902% (0.92  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - QE    LYS+  65  10.39 +/- 2.24   2.617% *  0.0464% (0.47  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - QE    LYS+  33  10.18 +/- 1.82   2.658% *  0.0402% (0.41  1.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HB2   ASP-  76   8.01 +/- 1.41   3.392% *  0.0141% (0.14  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+  33  18.55 +/- 3.67   0.501% *  0.0943% (0.97  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+  65  12.74 +/- 1.84   1.223% *  0.0284% (0.29  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QE    LYS+  33  17.57 +/- 3.19   0.367% *  0.0925% (0.95  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QE    LYS+  33  18.28 +/- 2.07   0.282% *  0.0925% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.96 +/- 2.02   0.271% *  0.0958% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  18.30 +/- 4.98   1.543% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  17.33 +/- 2.47   0.419% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  19.03 +/- 3.60   0.398% *  0.0485% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.76 +/- 2.44   0.376% *  0.0492% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  16.68 +/- 3.89   1.231% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  21.09 +/- 2.69   0.227% *  0.0475% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  25.21 +/- 2.53   0.111% *  0.0969% (0.99  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.36 +/- 2.87   0.112% *  0.0943% (0.97  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  14.55 +/- 2.83   0.793% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  22.86 +/- 4.44   0.189% *  0.0498% (0.51  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  23.88 +/- 5.42   0.343% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  22.52 +/- 4.85   1.374% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  19.09 +/- 2.61   0.506% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.37 +/- 1.41   0.120% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  15.30 +/- 2.30   0.433% *  0.0144% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  15.47 +/- 2.40   0.475% *  0.0125% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.47 +/- 1.61   0.365% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  19.65 +/- 2.31   0.212% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  18.52 +/- 4.89   0.543% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  19.13 +/- 2.89   0.305% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  19.67 +/- 2.06   0.267% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  12.77 +/- 3.25   0.938% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  18.58 +/- 3.97   0.328% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.93 +/- 2.31   0.088% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.93 +/- 3.88   0.864% *  0.0022% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.19 +/- 2.01   0.104% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  18.77 +/- 4.60   0.409% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.04 +/- 3.42   0.140% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.829, support = 4.97, residual support = 155.5:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.55 +/- 0.58  38.249% * 63.8684% (1.00  10.0 10.00   5.31 154.33) =  65.093%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.43 +/- 0.38  40.235% * 32.5421% (0.51  10.0 10.00   4.34 157.75) =  34.889%  kept
        T HG3   LYS+ 102 - QE    LYS+  33  17.29 +/- 4.18   0.197% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QE    LYS+  33  16.93 +/- 2.56   0.152% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   12 - QE    LYS+  33  11.09 +/- 3.85   1.375% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - QE    LYS+  65  17.49 +/- 2.52   0.137% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  33  10.85 +/- 3.37   0.732% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  33  19.55 +/- 2.33   0.078% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QE    LYS+  65  19.45 +/- 2.60   0.086% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - HB2   ASP-  76  17.15 +/- 3.61   0.231% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HB2   ASP-  76  15.30 +/- 3.45   0.214% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  12.71 +/- 2.53   0.313% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QE    LYS+  65  14.07 +/- 3.57   0.735% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QE    LYS+  65  23.69 +/- 2.61   0.044% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  14.72 +/- 3.42   0.426% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  10.39 +/- 3.27   1.272% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  12.42 +/- 2.92   0.333% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  12.40 +/- 2.19   0.330% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  22.27 +/- 3.30   0.093% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.96 +/- 1.49   0.256% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  18.45 +/- 2.26   0.100% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.35 +/- 1.61   4.569% *  0.0015% (0.02   1.0  1.00   0.02   1.60) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.22 +/- 1.82   2.376% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.24 +/- 1.55   0.602% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.36 +/- 2.27   0.284% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  16.18 +/- 2.39   0.192% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  16.79 +/- 3.81   0.395% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  14.60 +/- 2.44   0.639% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  14.74 +/- 4.28   0.376% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  16.89 +/- 3.54   1.690% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   8.24 +/- 1.20   1.117% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  14.03 +/- 3.05   0.221% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  24.97 +/- 2.71   0.037% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  23.03 +/- 4.06   0.125% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  13.92 +/- 1.10   0.208% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  18.97 +/- 5.13   0.204% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.36 +/- 2.54   0.108% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  16.96 +/- 3.51   0.196% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  16.47 +/- 3.97   0.139% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.58 +/- 3.12   0.473% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  17.40 +/- 3.66   0.159% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.65 +/- 2.10   0.049% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  18.86 +/- 2.31   0.083% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.61 +/- 2.85   0.113% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  23.72 +/- 3.41   0.055% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 154.3:
    * O T QD    LYS+  33 - QE    LYS+  33   2.09 +/- 0.02  79.867% * 97.4730% (1.00  10.0 10.00   4.34 154.33) =  99.990%  kept
        T QD    LYS+  33 - QE    LYS+  65  15.47 +/- 2.51   0.363% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - QE    LYS+  65   9.73 +/- 4.07   5.659% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - QE    LYS+  65  20.22 +/- 3.79   0.159% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   9.89 +/- 2.01   1.231% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HB2   ASP-  76   7.22 +/- 2.21   6.095% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HB2   ASP-  76  15.55 +/- 3.13   0.325% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QE    LYS+  33  14.68 +/- 3.12   0.620% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.89 +/- 3.19   0.036% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  24.67 +/- 6.15   0.320% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.07 +/- 4.66   3.018% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  15.88 +/- 2.98   0.377% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.94 +/- 1.65   0.117% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.13 +/- 2.23   0.067% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  15.07 +/- 4.35   0.591% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  18.38 +/- 5.07   1.050% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  25.41 +/- 3.52   0.055% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  26.64 +/- 3.66   0.050% *  0.0145% (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 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 1.93, residual support = 25.0:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  74.299% * 97.6944% (0.80  10.0 10.00   1.93  25.04) =  99.481%  kept
          QG2   THR   39 - HA    ALA   34   4.04 +/- 1.15  22.053% *  1.7068% (0.25   1.0  1.00   1.13   7.67) =   0.516%  kept
          HG3   LYS+  38 - HA    ALA   34   7.76 +/- 0.53   1.636% *  0.0573% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   34 - HA    ALA  124  20.18 +/- 5.98   0.240% *  0.2243% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    ALA   34  14.04 +/- 1.24   0.278% *  0.1080% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  16.94 +/- 3.01   0.367% *  0.0243% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.47 +/- 1.49   0.089% *  0.0791% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  15.50 +/- 2.86   0.295% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  18.18 +/- 6.23   0.378% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.22 +/- 1.12   0.067% *  0.0303% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  27.58 +/- 4.31   0.062% *  0.0248% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  24.39 +/- 8.50   0.108% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  23.96 +/- 2.54   0.062% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.30 +/- 2.62   0.064% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.0:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  79.254% * 98.8230% (0.80  10.0 10.00   1.93  25.04) =  99.979%  kept
          HA1   GLY  101 - QB    ALA   34   8.26 +/- 3.86  13.599% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.014%
          HA    ASN   28 - QB    ALA   34   6.89 +/- 0.52   2.527% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.004%
        T HA    ALA  124 - QB    ALA   34  20.18 +/- 5.98   0.251% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   34   6.66 +/- 0.13   2.599% *  0.0170% (0.14   1.0  1.00   0.02   0.37) =   0.001%
          HA    THR   26 - QB    ALA   34   9.38 +/- 0.86   1.072% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.30 +/- 1.97   0.171% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  19.90 +/- 2.88   0.122% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  16.47 +/- 3.10   0.298% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  20.36 +/- 2.23   0.106% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 54.6:
    * O T HB2   ASN   35 - HA    ASN   35   2.59 +/- 0.14  72.581% * 98.4270% (1.00  10.0 10.00   4.02  54.57) =  99.980%  kept
        T HB2   ASN   35 - HA    LEU   40   9.64 +/- 1.04   1.498% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.008%
        T HB2   ASN   28 - HA    ASN   35  13.29 +/- 1.19   0.680% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.004%
          QE    LYS+  33 - HA    ASN   35   7.69 +/- 1.13   3.894% *  0.0336% (0.34   1.0  1.00   0.02   5.55) =   0.002%
        T HB2   ASN   35 - HA    GLU-  15  16.20 +/- 4.44   0.596% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HA    GLU-  15  17.26 +/- 3.54   0.878% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    GLU-  15  12.63 +/- 3.63   6.033% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LEU   40  15.41 +/- 1.26   0.370% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    GLU-  15   9.29 +/- 3.71   8.152% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    LEU   40  10.46 +/- 2.28   1.761% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  19.46 +/- 3.42   0.205% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  20.24 +/- 2.25   0.205% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  16.92 +/- 2.38   0.317% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.01 +/- 1.43   0.342% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.44 +/- 3.63   0.759% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.35 +/- 3.40   0.180% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.33 +/- 2.53   0.283% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.93 +/- 1.84   0.733% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  25.17 +/- 4.27   0.095% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  17.56 +/- 2.56   0.318% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  23.19 +/- 3.13   0.121% *  0.0025% (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 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 = 86.4:
    * O T QB    GLU-  36 - HA    GLU-  36   2.47 +/- 0.16  96.218% * 98.9106% (1.00  10.0 10.00   5.56  86.37) =  99.991%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.06 +/- 1.35   0.898% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HB3   GLU-  79 - HA    GLU-  36  23.14 +/- 5.00   0.539% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HA    GLU-  36  11.29 +/- 2.80   1.706% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.88 +/- 1.42   0.588% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  31.56 +/- 2.33   0.051% *  0.0679% (0.69   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 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.79 +/- 0.75  98.907% * 99.8378% (1.00  10.0 10.00   3.62  86.37) =  99.999%  kept
          HG3   MET   96 - HA    GLU-  36  20.53 +/- 1.87   0.523% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  25.42 +/- 2.27   0.206% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  22.58 +/- 3.42   0.364% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HG3   GLU-  36 - HA    GLU-  36   2.90 +/- 0.64  97.931% * 99.2256% (1.00  10.0 10.00   3.62  86.37) =  99.996%  kept
        T QB    MET   11 - HA    GLU-  36  18.26 +/- 5.49   0.896% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    GLU-  36  22.90 +/- 4.46   0.349% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.60 +/- 1.54   0.481% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.34 +/- 2.04   0.162% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  31.87 +/- 1.43   0.098% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  33.66 +/- 3.30   0.081% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.79 +/- 0.75  98.975% * 99.7630% (1.00  10.0 10.00   3.62  86.37) =  99.999%  kept
          HA    LYS+  81 - HG2   GLU-  36  26.20 +/- 3.67   0.249% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   GLU-  36  30.06 +/- 7.69   0.228% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.80 +/- 3.11   0.417% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  31.63 +/- 3.66   0.132% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.4:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.38 +/- 0.15  96.351% * 98.9106% (1.00  10.0 10.00   4.28  86.37) =  99.985%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.85 +/- 2.26   1.605% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.014%
          HG3   GLU-  29 - HG2   GLU-  36  12.68 +/- 2.29   0.853% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  22.90 +/- 4.63   0.223% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  13.36 +/- 2.99   0.925% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  31.90 +/- 2.45   0.043% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.4:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.395% * 99.2256% (1.00  10.0 10.00   3.00  86.37) =  99.998%  kept
        T QB    MET   11 - HG2   GLU-  36  17.40 +/- 6.05   0.358% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HG2   GLU-  36  22.70 +/- 4.08   0.086% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  18.52 +/- 2.46   0.104% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  28.32 +/- 2.23   0.026% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.29 +/- 1.69   0.016% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.17 +/- 3.19   0.015% *  0.0642% (0.65   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 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.4:
    * O T HA    GLU-  36 - HG3   GLU-  36   2.90 +/- 0.64  87.986% * 99.6097% (1.00  10.0 10.00   3.62  86.37) =  99.998%  kept
        T HA    GLU-  36 - QB    MET   11  18.26 +/- 5.49   0.807% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  66 - QB    MET   11  17.92 +/- 5.21   9.581% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  29.92 +/- 8.16   0.316% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  26.34 +/- 3.61   0.167% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.58 +/- 3.44   0.399% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.54 +/- 3.78   0.105% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  27.00 +/- 7.04   0.193% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  25.88 +/- 4.60   0.257% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  28.85 +/- 6.21   0.189% *  0.0080% (0.08   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 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.4:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.38 +/- 0.16  80.852% * 99.4418% (1.00  10.0  1.00   4.28  86.37) =  99.995%  kept
          HB3   GLU-  29 - QB    MET   11  15.81 +/- 6.07  11.193% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HG3   GLU-  36  11.00 +/- 2.29   1.320% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   GLU-  79 - QB    MET   11  22.36 +/- 6.80   0.476% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HG3   GLU-  36  12.86 +/- 2.33   0.693% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  22.97 +/- 4.48   0.252% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  16.70 +/- 6.37   3.348% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  13.37 +/- 2.81   0.717% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.96 +/- 4.91   0.926% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  32.48 +/- 6.48   0.068% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  32.00 +/- 2.44   0.037% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  24.14 +/- 5.51   0.119% *  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 = 86.4:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.300% * 99.6937% (1.00  10.0 10.00   3.00  86.37) =  99.999%  kept
        T HG2   GLU-  36 - QB    MET   11  17.40 +/- 6.05   0.358% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  21.61 +/- 2.05   0.058% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  25.98 +/- 2.58   0.034% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  23.19 +/- 3.87   0.052% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  21.73 +/- 4.03   0.102% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  26.35 +/- 5.60   0.053% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  28.16 +/- 6.59   0.042% *  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 = 29.8:
    * O T HB2   SER   37 - HA    SER   37   2.88 +/- 0.17  81.176% * 98.0025% (1.00  10.0 10.00   2.58  29.80) =  99.981%  kept
        T HB2   SER   37 - HA    SER   13  14.45 +/- 4.40   1.271% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.008%
          HA1   GLY   16 - HA    SER   37  12.73 +/- 5.05   2.963% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   SER   37 - HA    THR   46  23.78 +/- 1.89   0.151% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+  33 - HA    SER   37   7.20 +/- 0.68   5.837% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13  10.13 +/- 1.14   2.221% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HA    THR   46  13.13 +/- 2.19   1.414% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   37  12.32 +/- 1.30   1.161% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HA    SER   13  16.10 +/- 4.81   2.176% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  16.98 +/- 1.28   0.418% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  22.02 +/- 3.70   0.224% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  16.89 +/- 3.08   0.628% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.68 +/- 3.44   0.119% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.65 +/- 1.51   0.135% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  27.89 +/- 3.49   0.106% *  0.0255% (0.26   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 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.667, support = 2.35, residual support = 21.6:
    * O T HB3   SER   37 - HA    SER   37   2.67 +/- 0.27  39.849% * 66.5978% (0.84  10.0 10.00   2.58  29.80) =  65.451%  kept
      O T QB    SER   13 - HA    SER   13   2.43 +/- 0.14  50.221% * 27.5617% (0.35  10.0 10.00   1.93   6.12) =  34.138%  kept
          HB    THR   39 - HA    SER   37   5.93 +/- 0.97   4.815% *  3.2766% (0.69   1.0  1.00   1.20   4.21) =   0.389%  kept
        T QB    SER   13 - HA    SER   37  13.99 +/- 4.50   0.687% *  0.5158% (0.65   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   SER   37 - HA    SER   13  14.21 +/- 4.57   0.672% *  0.3559% (0.45   1.0 10.00   0.02   0.02) =   0.006%
          HA    ILE   89 - HA    THR   46   9.78 +/- 1.90   2.385% *  0.0660% (0.83   1.0  1.00   0.02   0.02) =   0.004%
        T QB    SER   13 - HA    THR   46  23.24 +/- 3.30   0.075% *  0.5111% (0.64   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    THR   46  24.58 +/- 2.36   0.057% *  0.6599% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HA    THR   46  13.70 +/- 1.72   0.320% *  0.0788% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   13  15.18 +/- 3.75   0.359% *  0.0293% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.17 +/- 2.08   0.205% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  20.92 +/- 1.94   0.090% *  0.0543% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.57 +/- 3.58   0.059% *  0.0796% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.38 +/- 1.54   0.036% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  24.57 +/- 3.27   0.061% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.81 +/- 3.25   0.038% *  0.0425% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  31.43 +/- 4.12   0.029% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  28.27 +/- 4.72   0.044% *  0.0145% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 29.8:
    * O T HA    SER   37 - HB2   SER   37   2.88 +/- 0.17  80.962% * 98.1694% (1.00  10.0 10.00   2.58  29.80) =  99.977%  kept
        T HA    SER   13 - HB2   SER   37  14.45 +/- 4.40   1.249% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.009%
          HA    GLU-  15 - HB2   SER   37  10.57 +/- 5.29  10.017% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.007%
          HA    GLN   17 - HB2   SER   37  13.07 +/- 4.33   1.905% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HB2   SER   37   7.74 +/- 0.62   4.538% *  0.0368% (0.38   1.0  1.00   0.02   0.48) =   0.002%
        T HA    THR   46 - HB2   SER   37  23.78 +/- 1.89   0.151% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB2   SER   37  12.88 +/- 0.76   0.953% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   SER   37  22.08 +/- 3.21   0.227% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.833, support = 1.99, residual support = 29.3:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  76.201% * 93.4699% (0.84  10.0 10.00   2.00  29.80) =  98.210%  kept
          HB    THR   39 - HB2   SER   37   3.38 +/- 0.96  23.276% *  5.5629% (0.69   1.0  1.00   1.45   4.21) =   1.785%  kept
        T QB    SER   13 - HB2   SER   37  13.00 +/- 4.08   0.402% *  0.7239% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HB    THR  118 - HB2   SER   37  22.30 +/- 3.48   0.050% *  0.1117% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  25.09 +/- 1.56   0.027% *  0.0935% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  22.65 +/- 2.85   0.044% *  0.0382% (0.34   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 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.668, support = 2.35, residual support = 21.4:
    * O T HA    SER   37 - HB3   SER   37   2.67 +/- 0.27  38.714% * 68.0513% (0.84  10.0 10.00   2.58  29.80) =  64.686%  kept
      O T HA    SER   13 - QB    SER   13   2.43 +/- 0.14  48.748% * 29.4827% (0.36  10.0 10.00   1.93   6.12) =  35.288%  kept
        T HA    SER   37 - QB    SER   13  13.99 +/- 4.50   0.662% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.008%
        T HA    SER   13 - HB3   SER   37  14.21 +/- 4.57   0.648% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.006%
          HA    GLU-  15 - HB3   SER   37  10.81 +/- 5.11   3.451% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLU-  15 - QB    SER   13   6.49 +/- 1.10   3.485% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QB    SER   13   9.57 +/- 1.85   1.317% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB3   SER   37  13.73 +/- 3.94   0.592% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   46 - QB    SER   13  23.24 +/- 3.30   0.073% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.001%
        T HA    THR   46 - HB3   SER   37  24.58 +/- 2.36   0.055% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   SER   37   8.80 +/- 1.04   1.408% *  0.0255% (0.31   1.0  1.00   0.02   0.48) =   0.001%
          HA    VAL   42 - HB3   SER   37  13.79 +/- 1.31   0.297% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.80 +/- 3.27   0.156% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.00 +/- 3.53   0.201% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.88 +/- 2.94   0.116% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.92 +/- 3.18   0.077% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 29.8:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  92.127% * 98.1382% (0.84  10.0 10.00   2.00  29.80) =  99.990%  kept
        T HB2   SER   37 - QB    SER   13  13.00 +/- 4.08   0.507% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.004%
        T HA    VAL   70 - HB3   SER   37  11.15 +/- 1.35   0.425% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HA    VAL   70 - QB    SER   13  14.83 +/- 3.10   0.264% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB3   SER   37  11.61 +/- 4.67   1.162% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB3   SER   37   6.31 +/- 1.13   2.867% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   9.12 +/- 1.43   0.880% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    SER   13  14.60 +/- 4.76   1.688% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.29 +/- 3.63   0.040% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  24.47 +/- 3.14   0.041% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.84, residual support = 220.3:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.84 +/- 0.18  86.788% * 99.6880% (1.00  10.0 10.00   6.84 220.28) =  99.994%  kept
        T HB2   LYS+  38 - HA    GLU- 100   8.47 +/- 2.64   6.620% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HG3   GLU-  29 - HA    LYS+  38  15.61 +/- 1.22   0.583% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  13.87 +/- 1.20   0.857% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.59 +/- 1.28   1.115% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  15.26 +/- 2.66   0.736% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.54 +/- 1.25   0.296% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  28.56 +/- 2.19   0.090% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  18.30 +/- 4.33   0.484% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.92 +/- 4.39   0.648% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.89 +/- 2.05   0.975% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.51 +/- 3.73   0.431% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.64 +/- 3.66   0.253% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  25.83 +/- 1.41   0.122% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.2:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.65 +/- 0.18  76.663% * 98.2125% (1.00  10.0 10.00   5.89 220.28) =  99.984%  kept
        T HB3   LYS+  38 - HA    GLU- 100   7.46 +/- 2.70  10.495% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   PRO   68 - HA    LYS+  38  15.52 +/- 2.98   0.859% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    LYS+  38   8.26 +/- 0.47   2.741% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HA    LYS+  38  24.03 +/- 3.71   0.154% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    LYS+  38  11.67 +/- 0.91   1.026% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   ARG+  54 - HA    LYS+  38  29.19 +/- 4.26   0.079% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  17.15 +/- 1.66   0.329% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.74 +/- 2.31   0.674% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  22.66 +/- 4.20   0.225% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.31 +/- 1.85   0.382% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  24.38 +/- 4.79   0.269% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.40 +/- 2.66   0.107% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  28.32 +/- 1.49   0.065% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  14.09 +/- 3.86   0.854% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  11.88 +/- 3.41   1.488% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  28.19 +/- 2.01   0.067% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.77 +/- 0.93   0.604% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.45 +/- 0.53   1.342% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.37 +/- 0.87   0.654% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.05 +/- 2.85   0.129% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  21.54 +/- 3.34   0.216% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  17.38 +/- 2.30   0.321% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.35 +/- 1.14   0.082% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  25.37 +/- 1.14   0.093% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  29.42 +/- 4.22   0.083% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 0.98, support = 6.88, residual support = 216.3:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.63 +/- 0.68  55.079% * 93.0706% (1.00  10.0 10.00   6.91 220.28) =  97.851%  kept
        T HG2   LYS+  99 - HA    GLU- 100   4.58 +/- 0.76  19.409% *  5.5125% (0.06   1.0 10.00   5.85  39.18) =   2.042%  kept
        T HG2   LYS+  99 - HA    LYS+  38   8.11 +/- 2.35   5.611% *  0.9123% (0.98   1.0 10.00   0.02   0.02) =   0.098%
        T HG2   LYS+  38 - HA    GLU- 100   7.95 +/- 3.18   4.653% *  0.0562% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LEU   31 - HA    LYS+  38  10.21 +/- 1.23   1.203% *  0.0676% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+  38  10.69 +/- 2.48   2.514% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - HA    LYS+  38  19.12 +/- 3.17   0.667% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+  38  20.43 +/- 3.71   0.406% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  20.98 +/- 1.18   0.150% *  0.0777% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.17 +/- 2.42   0.238% *  0.0417% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.25 +/- 1.18   0.257% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  11.36 +/- 4.22   1.601% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  20.51 +/- 7.08   0.309% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   6.84 +/- 1.87   6.185% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.56 +/- 3.31   0.055% *  0.0745% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  17.92 +/- 1.30   0.220% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.41 +/- 2.19   0.394% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  19.48 +/- 3.30   0.279% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.69 +/- 1.85   0.196% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  17.64 +/- 1.75   0.252% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  20.49 +/- 6.77   0.261% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  27.46 +/- 2.89   0.061% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.10 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.984, support = 6.68, residual support = 205.3:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.28 +/- 0.50  32.225% * 78.9610% (1.00  10.0 10.00   6.90 220.28) =  92.495%  kept
          QG2   THR   39 - HA    LYS+  38   5.36 +/- 0.50   9.221% * 16.4111% (0.90   1.0  1.00   4.63  23.91) =   5.501%  kept
          QB    ALA   34 - HA    LYS+  38   4.50 +/- 0.66  15.476% *  2.1913% (0.80   1.0  1.00   0.69   0.02) =   1.233%  kept
        T HG3   LYS+  99 - HA    GLU- 100   5.15 +/- 0.77  11.015% *  1.7907% (0.02   1.0 10.00   4.96  39.18) =   0.717%  kept
        T HG3   LYS+  99 - HA    LYS+  38   8.55 +/- 2.11   3.393% *  0.2963% (0.38   1.0 10.00   0.02   0.02) =   0.037%
        T HG3   LYS+  38 - HA    GLU- 100   7.97 +/- 2.80   6.155% *  0.0477% (0.06   1.0 10.00   0.02   0.02) =   0.011%
          QB    ALA   34 - HA    GLU- 100   6.81 +/- 3.61  14.287% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    LYS+  38  13.83 +/- 3.43   0.865% *  0.0447% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  38  10.27 +/- 2.27   1.357% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    LYS+  38  18.87 +/- 3.28   0.572% *  0.0269% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100   8.40 +/- 2.30   2.992% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  21.84 +/- 1.99   0.121% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  17.73 +/- 1.22   0.222% *  0.0354% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.70 +/- 1.23   0.097% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  17.24 +/- 4.84   0.555% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  12.81 +/- 2.56   0.732% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.53 +/- 2.34   0.146% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.47 +/- 1.21   0.128% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.86 +/- 3.13   0.257% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  19.56 +/- 2.96   0.185% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 6.0, residual support = 220.1:
    *   T QD    LYS+  38 - HA    LYS+  38   3.35 +/- 0.73  54.922% * 97.0123% (1.00 10.00   6.00 220.28) =  99.928%  kept
        T QD    LYS+  38 - HA    GLU- 100   6.70 +/- 3.13  22.138% *  0.0586% (0.06 10.00   0.02   0.02) =   0.024%
          QD    LYS+ 102 - HA    LYS+  38  12.33 +/- 3.53  12.889% *  0.0777% (0.80  1.00   0.02   0.02) =   0.019%
        T QD    LYS+  65 - HA    LYS+  38  18.85 +/- 2.19   0.586% *  0.8955% (0.92 10.00   0.02   0.02) =   0.010%
        T HB    VAL   83 - HA    LYS+  38  19.97 +/- 3.51   0.556% *  0.9362% (0.97 10.00   0.02   0.02) =   0.010%
        T HD2   LYS+  74 - HA    LYS+  38  19.38 +/- 3.45   0.984% *  0.3309% (0.34 10.00   0.02   0.02) =   0.006%
        T HB    VAL   83 - HA    GLU- 100  18.09 +/- 3.50   0.729% *  0.0566% (0.06 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  38  21.17 +/- 5.28   0.408% *  0.0870% (0.90  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  38  30.04 +/- 3.62   0.108% *  0.2994% (0.31 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   8.62 +/- 0.64   4.125% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  20.68 +/- 2.48   0.318% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  23.94 +/- 6.19   0.294% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.65 +/- 3.27   0.419% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.42 +/- 1.76   0.139% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  27.54 +/- 1.08   0.132% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  19.75 +/- 5.40   0.508% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.92 +/- 2.72   0.124% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  23.51 +/- 5.73   0.300% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.89 +/- 1.28   0.162% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.73 +/- 1.00   0.160% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.15 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.84, residual support = 220.2:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.84 +/- 0.18  92.285% * 99.6785% (1.00  10.0 10.00   6.84 220.28) =  99.983%  kept
        T HA    GLU- 100 - HB2   LYS+  38   8.47 +/- 2.64   7.039% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.017%
          HA    VAL   24 - HB2   LYS+  38  20.08 +/- 1.82   0.338% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  22.98 +/- 3.15   0.197% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  26.88 +/- 3.37   0.141% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 220.3:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  98.310% * 98.9214% (1.00  10.0 10.00   5.60 220.28) =  99.999%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.30 +/- 0.42   0.671% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.69 +/- 0.93   0.216% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  30.72 +/- 2.00   0.019% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.02 +/- 2.85   0.263% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  19.12 +/- 1.76   0.084% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  24.79 +/- 4.29   0.075% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  17.01 +/- 2.26   0.147% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.24 +/- 2.03   0.098% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.06 +/- 2.71   0.031% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  25.36 +/- 3.53   0.043% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  30.60 +/- 1.44   0.019% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  30.81 +/- 4.60   0.024% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 220.2:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.63 +/- 0.13  92.666% * 98.5858% (1.00  10.0 10.00   6.61 220.28) =  99.964%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   9.57 +/- 2.32   3.172% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.034%
          HB2   LEU   31 - HB2   LYS+  38  12.66 +/- 1.27   1.222% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB2   LYS+  38  13.00 +/- 2.35   1.188% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.00 +/- 3.27   0.315% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.62 +/- 2.37   0.287% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  23.12 +/- 1.07   0.143% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  22.81 +/- 3.67   0.207% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  20.78 +/- 7.49   0.525% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.32 +/- 1.16   0.208% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.47 +/- 3.46   0.067% *  0.0789% (0.80   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 6.05, residual support = 215.8:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.64 +/- 0.37  79.011% * 82.1950% (1.00  10.0 10.00   6.10 220.28) =  97.769%  kept
          QG2   THR   39 - HB2   LYS+  38   5.97 +/- 0.61   8.931% * 15.0249% (0.90   1.0  1.00   4.08  23.91) =   2.020%  kept
          QB    ALA   34 - HB2   LYS+  38   6.51 +/- 0.46   6.043% *  2.1834% (0.80   1.0  1.00   0.66   0.02) =   0.199%  kept
        T HG3   LYS+  99 - HB2   LYS+  38   9.94 +/- 2.14   2.302% *  0.3085% (0.38   1.0 10.00   0.02   0.02) =   0.011%
          HG    LEU   71 - HB2   LYS+  38  11.19 +/- 2.70   1.784% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB2   LYS+  38  14.97 +/- 3.79   0.950% *  0.0465% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  38  20.63 +/- 3.37   0.494% *  0.0280% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  23.24 +/- 2.06   0.148% *  0.0778% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  19.25 +/- 1.36   0.238% *  0.0369% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.70 +/- 1.23   0.100% *  0.0737% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 220.2:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.65 +/- 0.18  87.402% * 99.5407% (1.00  10.0 10.00   5.89 220.28) =  99.969%  kept
        T HA    GLU- 100 - HB3   LYS+  38   7.46 +/- 2.70  11.961% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.030%
          HA    VAL   24 - HB3   LYS+  38  20.03 +/- 2.04   0.330% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  25.88 +/- 3.54   0.137% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  22.38 +/- 3.25   0.169% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 220.3:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.141% * 99.2933% (1.00  10.0 10.00   5.60 220.28) = 100.000%  kept
        T HB2   GLN   90 - HB3   LYS+  38  30.23 +/- 2.14   0.021% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  17.92 +/- 1.40   0.100% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  15.64 +/- 2.86   0.263% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   LYS+  38  12.93 +/- 1.25   0.282% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.15 +/- 1.30   0.136% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  21.79 +/- 1.63   0.058% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 5.63, residual support = 220.1:
    * O T HG2   LYS+  38 - HB3   LYS+  38   3.02 +/- 0.04  85.451% * 98.5858% (1.00  10.0 10.00   5.64 220.28) =  99.908%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   8.16 +/- 2.37   7.713% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.088%
          HB2   LEU   31 - HB3   LYS+  38  12.65 +/- 1.38   1.598% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LYS+  38  11.87 +/- 2.39   2.412% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  20.43 +/- 3.08   0.513% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.66 +/- 2.40   0.452% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  22.34 +/- 3.74   0.354% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  19.90 +/- 7.39   0.852% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  22.36 +/- 1.08   0.216% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.47 +/- 1.12   0.334% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.24 +/- 3.48   0.105% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 5.48, residual support = 216.8:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.62 +/- 0.14  78.377% * 83.2023% (1.00  10.0 10.00   5.52 220.28) =  98.250%  kept
          QG2   THR   39 - HB3   LYS+  38   5.88 +/- 0.45   7.510% * 14.1965% (0.90   1.0  1.00   3.81  23.91) =   1.606%  kept
          QB    ALA   34 - HB3   LYS+  38   6.44 +/- 0.55   5.992% *  1.2888% (0.80   1.0  1.00   0.39   0.02) =   0.116%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   8.51 +/- 2.20   5.144% *  0.3123% (0.38   1.0 10.00   0.02   0.02) =   0.024%
        T QG2   ILE   56 - HB3   LYS+  38  22.35 +/- 2.17   0.143% *  0.7871% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB3   LYS+  38  10.75 +/- 2.46   1.527% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   LYS+  38  15.10 +/- 3.67   0.689% *  0.0471% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  20.22 +/- 3.16   0.306% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  19.47 +/- 1.42   0.215% *  0.0373% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.87 +/- 1.25   0.098% *  0.0746% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.2:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.41 +/- 0.24  86.116% * 98.0597% (1.00  10.0 10.00   4.63 220.28) =  99.984%  kept
          QD    LYS+ 102 - HB3   LYS+  38  13.11 +/- 3.42  12.639% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.012%
        T QD    LYS+  65 - HB3   LYS+  38  19.25 +/- 2.23   0.233% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HB3   LYS+  38  20.68 +/- 3.46   0.249% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LYS+  38  21.15 +/- 5.22   0.238% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.65 +/- 3.80   0.061% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  21.85 +/- 3.63   0.161% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  23.62 +/- 6.37   0.190% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.55 +/- 1.69   0.058% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.79 +/- 1.07   0.055% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 6.89, residual support = 216.3:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.63 +/- 0.68  63.950% * 93.7297% (1.00  10.0 10.00   6.91 220.28) =  97.839%  kept
        T HA    GLU- 100 - HG2   LYS+  99   4.58 +/- 0.76  22.779% *  5.6871% (0.06   1.0 10.00   5.85  39.18) =   2.115%  kept
        T HA    LYS+  38 - HG2   LYS+  99   8.11 +/- 2.35   6.529% *  0.2554% (0.27   1.0 10.00   0.02   0.02) =   0.027%
        T HA    GLU- 100 - HG2   LYS+  38   7.95 +/- 3.18   5.456% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.019%
          HA    VAL   24 - HG2   LYS+  38  19.60 +/- 2.26   0.223% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  22.48 +/- 3.08   0.170% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  20.23 +/- 1.89   0.187% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  19.32 +/- 2.79   0.334% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  26.96 +/- 3.80   0.108% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  23.00 +/- 4.73   0.266% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 220.3:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.63 +/- 0.13  90.376% * 99.4277% (1.00  10.0 10.00   6.61 220.28) =  99.989%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   9.57 +/- 2.32   3.094% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.009%
          QG    GLN   17 - HG2   LYS+  38  16.05 +/- 3.78   1.745% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  16.82 +/- 1.65   0.425% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.07 +/- 1.45   0.580% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  14.21 +/- 1.79   0.768% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99  12.26 +/- 2.25   1.609% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  20.92 +/- 1.74   0.228% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.47 +/- 2.58   0.226% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  30.61 +/- 2.11   0.062% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  19.02 +/- 2.72   0.293% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.88 +/- 2.73   0.351% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  25.77 +/- 1.81   0.102% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.47 +/- 2.25   0.143% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 220.2:
    * O T HB3   LYS+  38 - HG2   LYS+  38   3.02 +/- 0.04  75.088% * 98.9095% (1.00  10.0 10.00   5.64 220.28) =  99.969%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   8.16 +/- 2.37   6.781% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.025%
          QB    LYS+  33 - HG2   LYS+  38   9.20 +/- 0.51   2.758% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HG2   LYS+  38  13.41 +/- 1.28   0.978% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG2   LYS+  38  16.58 +/- 3.62   1.798% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HG2   LYS+  99  12.31 +/- 1.59   1.538% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  21.82 +/- 5.54   1.196% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.75 +/- 1.77   0.347% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  15.34 +/- 2.43   0.705% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.65 +/- 1.18   1.939% *  0.0083% (0.08   1.0  1.00   0.02   0.44) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.36 +/- 2.38   0.629% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  24.45 +/- 3.99   0.248% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.28 +/- 0.82   2.036% *  0.0067% (0.07   1.0  1.00   0.02   0.30) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  13.67 +/- 2.51   1.157% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.88 +/- 2.09   0.410% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  27.01 +/- 3.09   0.123% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  25.48 +/- 4.29   0.180% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.55 +/- 3.48   0.345% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.35 +/- 1.40   0.076% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  15.20 +/- 2.85   0.815% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  22.55 +/- 2.96   0.256% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  30.25 +/- 1.92   0.078% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.53 +/- 1.24   0.128% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  30.89 +/- 4.54   0.092% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  25.26 +/- 1.26   0.133% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  27.57 +/- 4.55   0.164% *  0.0075% (0.08   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 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 = 6.55, residual support = 214.8:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  46.545% * 76.5327% (1.00  10.0 10.00   6.56 220.28) =  90.141%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  46.545% *  7.8281% (0.10  10.0 10.00   6.56 174.38) =   9.220%  kept
          QG2   THR   39 - HG2   LYS+  38   6.49 +/- 1.24   1.723% * 14.4062% (0.90   1.0  1.00   4.20  23.91) =   0.628%  kept
        T HG3   LYS+  99 - HG2   LYS+  38   9.87 +/- 2.45   0.498% *  0.2872% (0.38   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  38 - HG2   LYS+  99   9.03 +/- 2.32   0.598% *  0.2086% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   34 - HG2   LYS+  38   6.28 +/- 0.81   1.611% *  0.0613% (0.80   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+  38  20.72 +/- 3.53   0.058% *  0.2611% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   8.18 +/- 2.41   0.833% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   8.59 +/- 2.31   0.669% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  15.16 +/- 3.90   0.162% *  0.0433% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.76 +/- 2.72   0.242% *  0.0236% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.66 +/- 2.45   0.043% *  0.0711% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.19 +/- 2.25   0.022% *  0.0724% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  18.96 +/- 1.59   0.041% *  0.0343% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  12.17 +/- 2.65   0.211% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.41 +/- 1.33   0.016% *  0.0686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.54 +/- 2.70   0.051% *  0.0197% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  17.43 +/- 3.40   0.073% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  20.88 +/- 1.36   0.029% *  0.0187% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  20.64 +/- 1.75   0.031% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.75, residual support = 220.1:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.33 +/- 0.15  85.553% * 96.4250% (1.00  10.0 10.00   5.75 220.28) =  99.936%  kept
        T QD    LYS+ 102 - HG2   LYS+  38  13.32 +/- 3.59   3.473% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.032%
        T QD    LYS+  38 - HG2   LYS+  99   7.52 +/- 2.58   6.493% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.021%
        T QD    LYS+ 102 - HG2   LYS+  99   9.25 +/- 1.31   1.774% *  0.2104% (0.22   1.0 10.00   0.02   1.62) =   0.005%
        T QD    LYS+  65 - HG2   LYS+  38  20.05 +/- 2.93   0.284% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+  74 - HG2   LYS+  38  21.20 +/- 3.77   0.311% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  99  19.35 +/- 2.55   0.193% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG2   LYS+  99  20.54 +/- 2.69   0.168% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  22.57 +/- 5.49   0.153% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  22.02 +/- 3.39   0.135% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.85 +/- 3.71   0.041% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  16.57 +/- 5.99   0.481% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  19.18 +/- 3.23   0.267% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.57 +/- 2.95   0.080% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  25.07 +/- 6.50   0.113% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  20.11 +/- 6.39   0.242% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.44 +/- 1.72   0.046% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.60 +/- 1.03   0.075% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.56 +/- 1.15   0.044% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.78 +/- 1.14   0.074% *  0.0059% (0.06   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 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 6.88, residual support = 218.7:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.28 +/- 0.50  59.594% * 97.3136% (1.00  10.0 10.00   6.90 220.28) =  99.144%  kept
        T HA    GLU- 100 - HG3   LYS+  99   5.15 +/- 0.77  20.807% *  2.2608% (0.02   1.0 10.00   4.96  39.18) =   0.804%  kept
        T HA    GLU- 100 - HG3   LYS+  38   7.97 +/- 2.80  10.825% *  0.2167% (0.22   1.0 10.00   0.02   0.02) =   0.040%
        T HA    LYS+  38 - HG3   LYS+  99   8.55 +/- 2.11   6.652% *  0.1015% (0.10   1.0 10.00   0.02   0.02) =   0.012%
          HA    VAL   24 - HG3   LYS+  38  20.43 +/- 2.24   0.401% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  23.05 +/- 3.03   0.239% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  27.01 +/- 4.07   0.155% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.36 +/- 1.80   0.272% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  19.15 +/- 3.12   0.518% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  22.89 +/- 4.87   0.537% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 220.3:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.64 +/- 0.37  89.874% * 99.6340% (1.00  10.0 10.00   6.10 220.28) =  99.995%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   9.94 +/- 2.14   2.627% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          QG    GLN   17 - HG3   LYS+  38  16.38 +/- 3.85   2.121% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   LYS+  38  14.23 +/- 2.04   1.411% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  17.87 +/- 1.57   0.332% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.15 +/- 1.42   0.447% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.87 +/- 1.76   0.187% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  31.03 +/- 2.33   0.075% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  12.18 +/- 2.33   1.649% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.79 +/- 2.34   0.240% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  18.07 +/- 2.74   0.424% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.35 +/- 2.46   0.308% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  25.55 +/- 2.05   0.140% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.70 +/- 2.10   0.164% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 220.3:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.62 +/- 0.14  82.048% * 98.2474% (1.00  10.0 10.00   5.52 220.28) =  99.989%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   8.51 +/- 2.20   5.401% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.007%
        T HB    ILE   56 - HG3   LYS+  38  27.06 +/- 3.29   0.087% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38  10.20 +/- 0.47   1.483% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG3   LYS+  38  14.34 +/- 1.23   0.565% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HG3   LYS+  38  16.37 +/- 3.52   1.614% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.46 +/- 3.70   0.223% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.74 +/- 1.89   0.250% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  16.41 +/- 2.60   0.516% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.73 +/- 2.37   0.309% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  25.06 +/- 4.09   0.162% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  25.52 +/- 4.52   0.129% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.14 +/- 1.60   1.127% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.60 +/- 2.19   0.488% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.50 +/- 1.24   1.479% *  0.0032% (0.03   1.0  1.00   0.02   0.44) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  30.64 +/- 1.79   0.053% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  21.76 +/- 5.73   0.605% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.26 +/- 0.99   1.517% *  0.0026% (0.03   1.0  1.00   0.02   0.30) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  14.06 +/- 2.11   0.702% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.66 +/- 2.04   0.054% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  31.12 +/- 4.87   0.064% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  14.96 +/- 2.71   0.615% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  22.40 +/- 3.26   0.194% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.31 +/- 1.40   0.095% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  25.03 +/- 1.42   0.099% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.40 +/- 4.73   0.120% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.56, residual support = 216.0:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  48.236% * 89.3736% (1.00  10.0 10.00   6.56 220.28) =  90.709%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  48.236% *  9.1415% (0.10  10.0 10.00   6.56 174.38) =   9.278%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   9.03 +/- 2.32   0.620% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   LYS+  38 - HG3   LYS+  99   9.87 +/- 2.45   0.516% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HG3   LYS+  38  12.86 +/- 1.89   0.278% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.72 +/- 2.84   0.231% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.82 +/- 2.76   0.044% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.31 +/- 3.07   0.043% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.09 +/- 3.72   0.033% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.94 +/- 1.39   0.022% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.96 +/- 2.99   0.021% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  20.80 +/- 7.56   0.076% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.17 +/- 1.36   0.955% *  0.0014% (0.02   1.0  1.00   0.02  18.56) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.58 +/- 2.38   0.159% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.57 +/- 1.80   0.033% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.35 +/- 3.33   0.010% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.95 +/- 1.74   0.055% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.73 +/- 7.57   0.192% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.52 +/- 2.48   0.076% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  20.32 +/- 3.32   0.051% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.20 +/- 1.86   0.049% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.56 +/- 1.73   0.063% *  0.0032% (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 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 = 220.2:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.39 +/- 0.13  73.865% * 97.6899% (1.00  10.0 10.00   5.57 220.28) =  99.967%  kept
          QD    LYS+ 102 - HG3   LYS+  38  13.31 +/- 3.69  12.932% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.014%
        T QD    LYS+  38 - HG3   LYS+  99   7.91 +/- 2.55   8.562% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.012%
        T QD    LYS+ 102 - HG3   LYS+  99   9.18 +/- 1.60   2.152% *  0.0816% (0.08   1.0 10.00   0.02   1.62) =   0.002%
        T QD    LYS+  65 - HG3   LYS+  38  20.24 +/- 2.83   0.190% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+  74 - HG3   LYS+  38  21.76 +/- 3.93   0.182% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  99  19.34 +/- 2.77   0.198% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  22.29 +/- 5.65   0.143% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.79 +/- 3.78   0.039% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  22.61 +/- 3.44   0.109% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  24.77 +/- 6.62   0.113% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.49 +/- 2.78   0.154% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  16.52 +/- 6.30   0.514% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.35 +/- 2.74   0.078% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.68 +/- 2.02   0.040% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  19.06 +/- 3.58   0.242% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  20.04 +/- 6.72   0.304% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.83 +/- 1.47   0.039% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.36 +/- 1.33   0.073% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.56 +/- 1.32   0.070% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 220.1:
    *   T HA    LYS+  38 - QD    LYS+  38   3.35 +/- 0.73  59.975% * 98.6212% (1.00 10.00   6.00 220.28) =  99.899%  kept
        T HA    GLU- 100 - QD    LYS+  38   6.70 +/- 3.13  23.576% *  0.2196% (0.22 10.00   0.02   0.02) =   0.087%
        T HA    LYS+  38 - HD2   LYS+  74  19.38 +/- 3.45   1.047% *  0.2163% (0.22 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  38 - QD    LYS+  65  18.85 +/- 2.19   0.630% *  0.1802% (0.18 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   58 - QD    LYS+  65  11.10 +/- 1.68   2.759% *  0.0278% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QD    LYS+  38  20.61 +/- 3.41   0.378% *  0.1952% (0.20 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HD2   LYS+  74  11.14 +/- 2.09   3.429% *  0.0140% (0.14  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD    LYS+  38  18.67 +/- 2.62   0.730% *  0.0638% (0.65  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - QD    LYS+  38  24.02 +/- 3.66   0.300% *  0.1522% (0.15 10.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - HD2   LYS+  74  15.71 +/- 2.30   1.021% *  0.0428% (0.04 10.00   0.02   0.02) =   0.001%
        T HD2   PRO   58 - HD2   LYS+  74  14.78 +/- 3.15   1.263% *  0.0334% (0.03 10.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD2   LYS+  74  20.65 +/- 3.27   0.449% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  16.19 +/- 3.06   1.586% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  20.49 +/- 2.89   0.495% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  20.68 +/- 2.48   0.343% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.04 +/- 3.62   0.119% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.92 +/- 2.72   0.141% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  25.75 +/- 4.11   0.372% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  15.44 +/- 2.12   1.116% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.21 +/- 2.56   0.270% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 220.3:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.97 +/- 0.48  60.285% * 99.6020% (1.00  10.0   5.24 220.28) =  99.995%  kept
          QG    GLN   17 - QD    LYS+  65   7.29 +/- 3.12  17.451% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          HG3   GLU-  29 - QD    LYS+  38  16.63 +/- 1.95   0.691% *  0.0723% (0.73   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QD    LYS+  38  15.10 +/- 1.67   0.823% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  15.00 +/- 3.13   1.084% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  10.12 +/- 4.10   4.746% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.81 +/- 1.48   1.030% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  11.26 +/- 2.52   4.623% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.16 +/- 2.25   0.452% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65   9.59 +/- 1.24   3.256% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.62 +/- 2.84   0.448% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.03 +/- 3.67   0.272% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  19.68 +/- 2.26   0.277% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  27.63 +/- 2.17   0.096% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  19.80 +/- 2.44   0.332% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  19.46 +/- 3.15   0.678% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.34 +/- 2.87   0.516% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.47 +/- 2.42   0.486% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  18.79 +/- 2.14   0.308% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  22.76 +/- 4.01   0.225% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  17.02 +/- 3.69   0.529% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.04 +/- 2.57   0.326% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  20.87 +/- 3.82   0.595% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.90 +/- 3.81   0.084% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.42 +/- 3.36   0.199% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  32.37 +/- 3.57   0.058% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  31.18 +/- 4.28   0.066% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.07 +/- 3.28   0.061% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 220.3:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.41 +/- 0.24  67.451% * 98.4611% (1.00  10.0 10.00   4.63 220.28) =  99.989%  kept
        T QB    LYS+  33 - HD2   LYS+  74  14.98 +/- 3.34   1.682% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - HD2   LYS+  74  11.59 +/- 3.10   7.006% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLN   30 - QD    LYS+  38  13.31 +/- 1.39   0.529% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  38   9.82 +/- 0.57   1.151% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   LYS+  74  20.68 +/- 3.46   0.188% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD    LYS+  38  14.60 +/- 3.36   1.577% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QD    LYS+  65  19.25 +/- 2.23   0.178% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  12.98 +/- 2.00   0.691% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   9.57 +/- 2.71   1.908% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.44 +/- 2.13   0.283% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  14.92 +/- 4.12   2.275% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.29 +/- 2.47   0.509% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  14.84 +/- 3.62   0.773% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.40 +/- 1.98   0.336% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  12.43 +/- 1.53   0.575% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  22.69 +/- 4.06   0.145% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  15.08 +/- 3.05   0.435% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  24.04 +/- 3.09   0.092% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.67 +/- 1.93   2.037% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  22.47 +/- 3.91   0.137% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  12.51 +/- 3.63   1.202% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  12.94 +/- 3.13   0.968% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  15.50 +/- 3.41   0.360% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  14.95 +/- 1.95   0.377% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  18.33 +/- 4.61   0.368% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.75 +/- 1.94   0.439% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  13.65 +/- 3.68   1.071% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  27.31 +/- 1.67   0.050% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.65 +/- 3.80   0.048% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  16.60 +/- 1.48   0.242% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.08 +/- 2.18   0.261% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  14.86 +/- 3.10   0.568% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.26 +/- 2.16   0.052% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.27 +/- 2.34   0.324% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  18.89 +/- 3.08   0.215% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  27.71 +/- 4.31   0.065% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  18.93 +/- 2.15   0.166% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  22.65 +/- 4.97   0.986% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  18.39 +/- 1.93   0.193% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.45 +/- 2.12   0.208% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  16.80 +/- 3.63   0.312% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  22.71 +/- 4.05   0.128% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  17.55 +/- 1.66   0.208% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.64 +/- 2.43   0.159% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  20.73 +/- 2.65   0.154% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.41 +/- 3.44   0.325% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  16.78 +/- 1.92   0.261% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  21.91 +/- 3.00   0.102% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.84 +/- 3.13   0.061% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  21.28 +/- 2.25   0.119% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.57 +/- 3.31   0.052% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.966, support = 5.77, residual support = 223.4:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.33 +/- 0.15  48.989% * 91.2181% (1.00  10.0 10.00   5.75 220.28) =  96.390%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.79 +/- 0.25  29.760% *  5.4974% (0.06  10.0 10.00   6.21 315.10) =   3.529%  kept
        T HG2   LYS+  99 - QD    LYS+  38   7.52 +/- 2.58   3.755% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.072%
          HB2   LEU   31 - QD    LYS+  38  11.78 +/- 2.09   1.533% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  38 - HD2   LYS+  74  21.20 +/- 3.77   0.176% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  20.05 +/- 2.93   0.164% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  38  27.80 +/- 3.28   0.034% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - HD2   LYS+  74  20.54 +/- 2.69   0.094% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  19.23 +/- 3.09   0.130% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.74 +/- 1.19   2.319% *  0.0075% (0.08   1.0  1.00   0.02   3.06) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.35 +/- 2.55   0.106% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.09 +/- 2.53   1.191% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+  74   8.10 +/- 2.44   2.094% *  0.0068% (0.07   1.0  1.00   0.02   5.16) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  20.72 +/- 2.87   0.087% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   8.40 +/- 1.23   1.306% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.53 +/- 2.42   0.914% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.55 +/- 2.58   0.964% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.20 +/- 3.45   1.406% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.81 +/- 3.34   1.027% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.73 +/- 2.66   0.171% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.25 +/- 2.74   0.478% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  20.79 +/- 3.53   0.116% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.01 +/- 2.78   0.145% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.32 +/- 1.59   0.077% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  18.30 +/- 6.53   0.224% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.43 +/- 1.18   0.105% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.57 +/- 2.95   0.045% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.78 +/- 2.14   0.163% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.69 +/- 3.88   0.142% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.30 +/- 3.13   0.198% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.85 +/- 3.71   0.023% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.22 +/- 2.20   0.128% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.98 +/- 2.77   0.228% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.97 +/- 2.93   0.324% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.85 +/- 2.27   0.261% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  17.04 +/- 3.00   0.195% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.02 +/- 2.56   0.255% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.28 +/- 2.86   0.188% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.24 +/- 2.19   0.145% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  21.00 +/- 3.76   0.088% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.59 +/- 3.51   0.074% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.52 +/- 2.83   0.036% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  21.12 +/- 1.74   0.072% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.37 +/- 2.85   0.068% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.96, support = 5.54, residual support = 216.8:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.39 +/- 0.13  46.604% * 78.3612% (1.00  10.0 10.00   5.57 220.28) =  94.841%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.88 +/- 0.13  27.008% *  5.8616% (0.07  10.0 10.00   5.54 186.67) =   4.111%  kept
          QG2   THR   39 - QD    LYS+  38   6.52 +/- 0.61   2.653% * 12.9888% (0.90   1.0  1.00   3.70  23.91) =   0.895%  kept
          QB    ALA   34 - QD    LYS+  38   6.56 +/- 1.03   3.240% *  1.2138% (0.80   1.0  1.00   0.39   0.02) =   0.102%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.91 +/- 2.55   5.510% *  0.2941% (0.38   1.0 10.00   0.02   0.02) =   0.042%
        T HG2   LYS+  74 - QD    LYS+  65   9.66 +/- 3.02   1.517% *  0.0488% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - QD    LYS+  38  19.26 +/- 2.81   0.127% *  0.2673% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HD2   LYS+  74  12.48 +/- 2.78   1.844% *  0.0138% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HD2   LYS+  74  21.76 +/- 3.93   0.113% *  0.1718% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+  65  20.24 +/- 2.83   0.117% *  0.1432% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.98 +/- 2.08   0.653% *  0.0242% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.66 +/- 3.27   0.326% *  0.0444% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.94 +/- 3.14   1.331% *  0.0097% (0.12   1.0  1.00   0.02   8.38) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.34 +/- 2.74   0.779% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.68 +/- 3.05   0.661% *  0.0163% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  10.60 +/- 1.45   0.676% *  0.0135% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.98 +/- 2.39   1.060% *  0.0081% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.34 +/- 2.77   0.123% *  0.0537% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.49 +/- 2.78   0.097% *  0.0645% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.66 +/- 2.32   0.081% *  0.0741% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  11.83 +/- 1.54   0.460% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.70 +/- 2.06   0.760% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  18.11 +/- 1.78   0.135% *  0.0351% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111  10.64 +/- 2.41   0.824% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  10.75 +/- 3.17   0.862% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  14.85 +/- 2.56   0.264% *  0.0154% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.80 +/- 1.60   0.057% *  0.0703% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  13.56 +/- 1.52   0.294% *  0.0115% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  17.26 +/- 3.75   0.245% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  14.25 +/- 2.62   0.437% *  0.0064% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.66 +/- 2.42   0.088% *  0.0201% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.41 +/- 1.52   0.316% *  0.0053% (0.07   1.0  1.00   0.02   0.24) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.79 +/- 3.78   0.024% *  0.0590% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.03 +/- 1.25   0.323% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.35 +/- 2.74   0.049% *  0.0221% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.92 +/- 3.33   0.079% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.83 +/- 2.75   0.066% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  24.63 +/- 3.63   0.064% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  24.53 +/- 6.06   0.091% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.88 +/- 3.51   0.040% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 36.5:
    * O T HB    THR   39 - HA    THR   39   2.85 +/- 0.19  81.022% * 98.6574% (1.00  10.0 10.00   3.00  36.47) =  99.979%  kept
          HB3   SER   37 - HA    THR   39   5.73 +/- 0.48  10.647% *  0.0952% (0.97   1.0  1.00   0.02   4.21) =   0.013%
        T HB    THR   39 - HA    ILE  103  13.13 +/- 1.31   0.968% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.004%
          QB    SER   13 - HA    THR   39  14.65 +/- 3.60   0.943% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    THR   39  10.91 +/- 1.64   1.853% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HA    THR   39  28.34 +/- 3.37   0.096% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.84 +/- 3.29   0.398% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  14.68 +/- 1.85   0.726% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  22.24 +/- 3.14   0.223% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  16.21 +/- 1.73   0.582% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  14.52 +/- 3.38   0.864% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  17.63 +/- 3.50   0.619% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  23.11 +/- 1.33   0.158% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  25.43 +/- 2.76   0.141% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.34 +/- 3.57   0.202% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.28 +/- 3.22   0.558% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.872, support = 3.04, residual support = 35.6:
    * O T QG2   THR   39 - HA    THR   39   2.49 +/- 0.33  60.942% * 72.3178% (0.87  10.0 10.00   3.00  36.47) =  94.845%  kept
          HG3   LYS+  38 - HA    THR   39   6.13 +/- 1.28   9.182% * 18.6516% (1.00   1.0  1.00   4.48  23.91) =   3.685%  kept
          QB    ALA   34 - HA    THR   39   4.89 +/- 0.68   9.660% *  6.9709% (0.84   1.0  1.00   2.00   7.67) =   1.449%  kept
        T QG2   THR   39 - HA    ILE  103  11.24 +/- 1.19   0.881% *  0.2389% (0.29   1.0 10.00   0.02   0.02) =   0.005%
          HG    LEU   71 - HA    THR   39   6.77 +/- 2.77   6.965% *  0.0232% (0.28   1.0  1.00   0.02   0.17) =   0.003%
          HG3   LYS+  99 - HA    THR   39   8.63 +/- 2.37   3.591% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   THR   23 - HA    THR   39  17.10 +/- 1.41   0.231% *  0.4058% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HA    THR   39  11.40 +/- 3.84   1.860% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    ILE  103  15.78 +/- 1.61   0.313% *  0.2389% (0.29   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   91 - HA    THR   39  22.34 +/- 1.23   0.101% *  0.7232% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    ILE  103   9.80 +/- 2.17   1.509% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   THR   23 - HA    ILE  103  19.05 +/- 2.46   0.187% *  0.1341% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    ILE  103   8.30 +/- 1.25   2.174% *  0.0094% (0.11   1.0  1.00   0.02   0.30) =   0.000%
          QG2   ILE   56 - HA    THR   39  19.19 +/- 1.89   0.195% *  0.0805% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  16.10 +/- 2.92   0.558% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  14.48 +/- 2.14   0.414% *  0.0275% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  17.22 +/- 2.25   0.253% *  0.0266% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  13.85 +/- 2.51   0.513% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.15 +/- 3.07   0.213% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.43 +/- 2.36   0.258% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 36.5:
    * O T HA    THR   39 - HB    THR   39   2.85 +/- 0.19  95.975% * 98.7925% (1.00  10.0 10.00   3.00  36.47) =  99.989%  kept
        T HA    ILE  103 - HB    THR   39  13.13 +/- 1.31   1.146% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HA    GLU-  79 - HB    THR   39  20.40 +/- 3.66   0.494% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB    THR   39  14.98 +/- 1.29   0.702% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.99 +/- 5.17   0.713% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.54 +/- 3.19   0.322% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  21.22 +/- 3.26   0.351% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  27.74 +/- 3.51   0.121% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  23.86 +/- 2.46   0.176% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.86, support = 2.99, residual support = 28.9:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  54.636% * 44.8111% (0.87  10.0 10.00   2.92  36.47) =  73.373%  kept
        T QB    ALA   34 - HB    THR   39   3.76 +/- 1.19  20.136% * 43.1498% (0.84   1.0 10.00   3.16   7.67) =  26.039%  kept
          HG3   LYS+  38 - HB    THR   39   7.58 +/- 1.00   1.714% * 11.0560% (1.00   1.0  1.00   4.29  23.91) =   0.568%  kept
          HG13  ILE   19 - HB    THR   39   9.58 +/- 4.13   8.086% *  0.0272% (0.53   1.0  1.00   0.02   0.02) =   0.007%
          HG    LEU   71 - HB    THR   39   6.23 +/- 3.24  13.681% *  0.0144% (0.28   1.0  1.00   0.02   0.17) =   0.006%
        T HG3   LYS+  99 - HB    THR   39  10.26 +/- 2.30   0.956% *  0.1762% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   THR   23 - HB    THR   39  15.27 +/- 1.40   0.165% *  0.2515% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   91 - HB    THR   39  21.82 +/- 1.38   0.056% *  0.4481% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    THR   39  14.64 +/- 2.81   0.482% *  0.0159% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  19.09 +/- 1.93   0.089% *  0.0499% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.5:
    * O T HA    THR   39 - QG2   THR   39   2.49 +/- 0.33  75.065% * 96.3159% (0.87  10.0 10.00   3.00  36.47) =  99.969%  kept
        T HA    ILE  103 - QG2   THR   39  11.24 +/- 1.19   1.106% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.011%
          HB    THR   77 - QB    ALA   91   8.24 +/- 3.28   7.425% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HB    THR   77 - QG2   THR   23  13.83 +/- 2.82   0.611% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T HA    THR   39 - QG2   THR   23  17.10 +/- 1.41   0.289% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - QG2   THR   23  10.26 +/- 5.24   2.561% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QB    ALA   91  15.78 +/- 1.61   0.389% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ILE  103 - QG2   THR   23  19.05 +/- 2.46   0.234% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   39  17.16 +/- 3.24   0.794% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    ALA   91  22.34 +/- 1.23   0.126% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   85 - QB    ALA   91   9.32 +/- 0.87   1.945% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA   91  13.28 +/- 2.98   1.061% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    ALA   91   9.97 +/- 1.20   1.743% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   39  12.47 +/- 1.14   0.802% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   THR   39  16.82 +/- 2.65   0.456% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  13.61 +/- 2.18   0.671% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  17.79 +/- 2.79   0.481% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  15.31 +/- 4.22   0.556% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  16.33 +/- 5.04   0.985% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  14.84 +/- 3.14   0.731% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  18.51 +/- 4.23   0.417% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  20.06 +/- 4.16   0.289% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  22.88 +/- 3.04   0.157% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.60 +/- 1.82   0.469% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  20.26 +/- 2.47   0.202% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  16.97 +/- 4.04   0.351% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  29.90 +/- 5.21   0.084% *  0.0221% (0.20   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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.865, support = 2.89, residual support = 36.0:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  64.670% * 90.9710% (0.87  10.0 10.00   2.92  36.47) =  98.481%  kept
          HB3   SER   37 - QG2   THR   39   4.11 +/- 1.02  20.643% *  3.2923% (0.84   1.0  1.00   0.75   4.21) =   1.138%  kept
          HA    ILE   89 - QB    ALA   91   5.08 +/- 0.64   5.576% *  4.0069% (0.40   1.0  1.00   1.93   7.61) =   0.374%  kept
        T HB    THR   39 - QG2   THR   23  15.27 +/- 1.40   0.196% *  0.5105% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   13 - QG2   THR   39  10.82 +/- 2.96   0.925% *  0.0908% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QG2   THR   39   7.81 +/- 2.10   2.564% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23  12.25 +/- 5.59   1.015% *  0.0426% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HB    THR   39 - QB    ALA   91  21.82 +/- 1.38   0.064% *  0.4296% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  13.82 +/- 3.49   0.402% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.90 +/- 2.82   0.261% *  0.0588% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91  12.32 +/- 3.25   1.139% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.58 +/- 1.53   0.350% *  0.0359% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.48 +/- 0.91   0.852% *  0.0127% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  17.77 +/- 2.48   0.136% *  0.0760% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  18.92 +/- 1.71   0.105% *  0.0878% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  15.92 +/- 1.96   0.181% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  13.89 +/- 2.08   0.315% *  0.0278% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  17.54 +/- 3.18   0.155% *  0.0493% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  21.51 +/- 2.85   0.084% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.82 +/- 3.03   0.052% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  20.40 +/- 4.29   0.136% *  0.0158% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.80 +/- 1.74   0.044% *  0.0415% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  22.88 +/- 2.84   0.063% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.22 +/- 1.79   0.074% *  0.0107% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 0.996, support = 5.2, residual support = 99.9:
    * O T HB2   LEU   40 - HA    LEU   40   2.39 +/- 0.21  77.884% * 93.6566% (1.00  10.0 10.00   5.22 100.54) =  99.308%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.96 +/- 0.73  11.127% *  4.4360% (0.39   1.0  1.00   2.41   1.58) =   0.672%  kept
        T HB2   LEU   40 - HA    ASN   35   9.35 +/- 0.79   1.396% *  0.3511% (0.37   1.0 10.00   0.02   0.02) =   0.007%
        T HB2   LEU   40 - HA    GLU-  15  14.14 +/- 3.53   0.564% *  0.7574% (0.81   1.0 10.00   0.02   0.02) =   0.006%
        T HB2   LEU   67 - HA    LEU   40  10.10 +/- 1.66   1.253% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   67 - HA    GLU-  15  11.92 +/- 3.44   0.951% *  0.1169% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   MET   96 - HA    LEU   40  12.07 +/- 0.74   0.658% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - HA    GLU-  15   9.19 +/- 0.73   1.578% *  0.0258% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   11 - HA    GLU-  15  12.01 +/- 2.40   1.167% *  0.0234% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  13.20 +/- 3.16   0.768% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  15.80 +/- 2.15   0.357% *  0.0542% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.06 +/- 3.97   0.326% *  0.0456% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.08 +/- 4.89   0.528% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  23.83 +/- 4.89   0.148% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  21.23 +/- 3.57   0.137% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  23.56 +/- 5.00   0.179% *  0.0459% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  17.41 +/- 1.80   0.229% *  0.0281% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  16.99 +/- 2.30   0.369% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.00 +/- 5.38   0.144% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  21.95 +/- 5.57   0.176% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  29.37 +/- 4.62   0.060% *  0.0213% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.871, support = 5.44, residual support = 100.5:
    * O T HB3   LEU   40 - HA    LEU   40   2.91 +/- 0.19  46.507% * 70.6117% (1.00  10.0 10.00   5.49 100.54) =  79.302%  kept
      O T HG    LEU   40 - HA    LEU   40   3.37 +/- 0.39  32.282% * 26.5014% (0.38  10.0 10.00   5.29 100.54) =  20.660%  kept
        T HB3   LEU   40 - HA    GLU-  15  13.10 +/- 3.65   0.962% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.013%
        T HB3   LEU   40 - HA    ASN   35   9.89 +/- 0.69   1.243% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU  115 - HA    LEU   40  18.08 +/- 2.26   0.227% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - HA    ASN   35  10.58 +/- 0.88   1.001% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HA    GLU-  15  13.00 +/- 4.41   6.971% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  115 - HA    LEU   40  17.06 +/- 2.21   0.279% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LEU   40  10.59 +/- 2.31   1.550% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    GLU-  15  13.10 +/- 3.40   1.169% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    GLU-  15  12.67 +/- 3.56   0.995% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    GLU-  15  10.35 +/- 1.96   1.568% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HA    GLU-  15  22.74 +/- 2.78   0.116% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LEU   40  16.62 +/- 3.71   0.345% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - HA    ASN   35  24.61 +/- 2.48   0.084% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  14.80 +/- 2.41   0.530% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  14.16 +/- 2.95   0.600% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.25 +/- 1.36   0.567% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  23.67 +/- 2.33   0.093% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  21.04 +/- 3.77   0.159% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  16.42 +/- 4.87   0.555% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  23.34 +/- 2.63   0.106% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.36 +/- 3.06   0.343% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.47 +/- 0.76   0.610% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.49 +/- 1.46   0.283% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.42 +/- 2.53   0.343% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  22.19 +/- 3.99   0.137% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  23.65 +/- 3.40   0.108% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  21.35 +/- 2.65   0.134% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  23.04 +/- 4.83   0.134% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.21, residual support = 100.4:
    * O T HA    LEU   40 - HB2   LEU   40   2.39 +/- 0.21  65.418% * 97.5026% (1.00  10.0 10.00   5.22 100.54) =  99.817%  kept
          HA    LYS+  99 - HB2   LEU   40   5.09 +/- 2.01  18.393% *  0.5673% (0.25   1.0  1.00   0.47  10.62) =   0.163%  kept
        T HA    GLU-  15 - HB2   LEU   40  14.14 +/- 3.53   0.482% *  0.9223% (0.95   1.0 10.00   0.02   0.02) =   0.007%
        T HA    ASN   35 - HB2   LEU   40   9.35 +/- 0.79   1.189% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.007%
        T HA    LEU   40 - HB2   LEU   67  10.10 +/- 1.66   1.046% *  0.0899% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB2   LEU   67  11.92 +/- 3.44   0.806% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU   40  17.29 +/- 3.93   0.471% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB2   LEU   40  10.58 +/- 0.40   0.914% *  0.0366% (0.38   1.0  1.00   0.02   0.48) =   0.001%
          HA    LEU  123 - HB2   LEU   40  16.79 +/- 6.73   0.574% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  13.35 +/- 2.94   0.553% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   8.33 +/- 4.86   5.773% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  19.31 +/- 3.40   0.184% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  15.80 +/- 2.15   0.303% *  0.0337% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  19.30 +/- 1.43   0.157% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.34 +/- 3.38   0.793% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.78 +/- 3.01   0.152% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  13.44 +/- 2.11   0.522% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  15.34 +/- 6.57   0.746% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  14.88 +/- 2.28   0.459% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  16.21 +/- 3.23   0.321% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  13.04 +/- 2.49   0.527% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  17.27 +/- 2.06   0.220% *  0.0037% (0.04   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 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 = 0.928, support = 4.3, residual support = 100.0:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  58.098% * 69.9238% (1.00  10.0 10.00   4.24 100.54) =  89.184%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.75 +/- 0.26  16.434% * 26.2432% (0.38  10.0  1.00   4.72 100.54) =   9.468%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.61 +/- 0.29  19.511% *  3.1374% (0.04  10.0  1.00   5.14  60.56) =   1.344%  kept
        T HB3   LEU   40 - HB2   LEU   67   8.00 +/- 1.63   0.937% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU   40   9.63 +/- 2.68   0.764% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU   67   8.34 +/- 1.93   1.051% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HB2   LEU   40  16.28 +/- 2.21   0.092% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HB2   LEU   40  15.36 +/- 3.86   0.138% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  15.18 +/- 2.36   0.122% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  15.28 +/- 2.67   0.185% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.27 +/- 2.22   0.072% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.28 +/- 2.66   0.169% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  15.12 +/- 5.03   0.259% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  10.65 +/- 3.20   0.791% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.35 +/- 1.34   0.118% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.78 +/- 1.84   0.094% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  14.36 +/- 4.44   0.225% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.54 +/- 0.95   0.584% *  0.0014% (0.02   1.0  1.00   0.02   0.45) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.41 +/- 1.86   0.176% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  15.51 +/- 4.70   0.178% *  0.0011% (0.02   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 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 5.48, residual support = 100.4:
    * O T HA    LEU   40 - HB3   LEU   40   2.91 +/- 0.19  67.011% * 97.4369% (1.00  10.0 10.00   5.49 100.54) =  99.847%  kept
          HA    LYS+  99 - HB3   LEU   40   6.14 +/- 1.73  13.395% *  0.5669% (0.25   1.0  1.00   0.47  10.62) =   0.116%  kept
        T HA    GLU-  15 - HB3   LEU   40  13.10 +/- 3.65   1.383% *  0.9217% (0.95   1.0 10.00   0.02   0.02) =   0.019%
        T HA    ASN   35 - HB3   LEU   40   9.89 +/- 0.69   1.863% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.010%
          HA    PRO   58 - HB3   LEU   40  16.70 +/- 3.22   0.750% *  0.0940% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LEU   40  16.45 +/- 6.72   1.296% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HB3   LEU   40  12.04 +/- 3.28   1.653% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB3   LEU   40  10.56 +/- 0.30   1.443% *  0.0366% (0.38   1.0  1.00   0.02   0.48) =   0.001%
        T HA    LEU   40 - HB3   LEU  115  17.06 +/- 2.21   0.440% *  0.1143% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   LEU   40  18.33 +/- 3.30   0.371% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB3   LEU  115  10.29 +/- 1.73   2.120% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  22.74 +/- 2.78   0.174% *  0.1081% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   9.07 +/- 1.61   3.605% *  0.0047% (0.05   1.0  1.00   0.02   0.12) =   0.000%
          HA    THR   46 - HB3   LEU   40  18.66 +/- 1.50   0.281% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  10.26 +/- 1.99   2.218% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.24 +/- 2.67   0.281% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  23.67 +/- 2.33   0.144% *  0.0429% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.14 +/- 1.32   0.696% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  18.77 +/- 2.82   0.320% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  17.38 +/- 1.49   0.356% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  27.58 +/- 3.02   0.091% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  25.49 +/- 2.74   0.110% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 100.5:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  95.774% * 99.4293% (1.00  10.0 10.00   4.24 100.54) =  99.997%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.00 +/- 1.63   1.554% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.003%
          HB3   MET   96 - HB3   LEU   40  12.51 +/- 0.77   0.273% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  11.84 +/- 3.22   0.574% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.28 +/- 2.21   0.153% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.32 +/- 3.83   0.184% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  22.42 +/- 5.32   0.123% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.28 +/- 2.66   0.285% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  10.75 +/- 1.46   0.488% *  0.0093% (0.09   1.0  1.00   0.02   0.23) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.39 +/- 5.31   0.079% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.11 +/- 1.94   0.283% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.95 +/- 2.72   0.167% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  25.48 +/- 3.42   0.041% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  31.19 +/- 4.54   0.022% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.3, residual support = 75.5:
    * O T HB    VAL   41 - HA    VAL   41   2.76 +/- 0.25  85.493% * 99.0830% (0.69  10.0 10.00   4.30  75.49) =  99.988%  kept
          HG12  ILE  103 - HA    VAL   41   9.21 +/- 0.99   2.625% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE  103 - HA    VAL   41  11.10 +/- 1.64   2.010% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HA    VAL   41   9.70 +/- 1.53   2.421% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    VAL   41  12.06 +/- 2.03   1.311% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    VAL   41  11.55 +/- 1.67   1.412% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    VAL   41  11.96 +/- 1.73   1.151% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    VAL   41  19.58 +/- 4.58   0.362% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    VAL   41  11.90 +/- 1.27   1.336% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.78 +/- 2.50   0.189% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  16.80 +/- 2.67   0.930% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  21.99 +/- 3.22   0.219% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.85 +/- 1.63   0.296% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  20.80 +/- 1.58   0.243% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.21, residual support = 74.8:
    * O T QG1   VAL   41 - HA    VAL   41   2.64 +/- 0.38  53.551% * 93.7077% (1.00  10.0 10.00   4.24  75.49) =  99.006%  kept
          QG1   VAL   43 - HA    VAL   41   6.07 +/- 1.43   8.995% *  5.1815% (0.95   1.0  1.00   1.17   1.44) =   0.920%  kept
        T QG2   VAL   18 - HA    VAL   41   9.79 +/- 2.74   1.751% *  0.7161% (0.76   1.0 10.00   0.02   0.02) =   0.025%
        T QD2   LEU  104 - HA    VAL   41   8.18 +/- 1.96   6.717% *  0.1854% (0.20   1.0 10.00   0.02   0.02) =   0.025%
          QD2   LEU   73 - HA    VAL   41   5.98 +/- 2.10  20.589% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.017%
          HG    LEU   31 - HA    VAL   41   7.30 +/- 2.06   4.602% *  0.0568% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HA    VAL   41   8.71 +/- 2.76   2.651% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    VAL   41  11.84 +/- 1.25   0.734% *  0.0606% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   41  14.63 +/- 1.59   0.410% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 75.4:
    * O T QG2   VAL   41 - HA    VAL   41   2.47 +/- 0.42  69.779% * 98.4678% (1.00  10.0 10.00   3.92  75.49) =  99.746%  kept
          QD2   LEU   98 - HA    VAL   41   5.18 +/- 1.42  11.535% *  1.3793% (0.95   1.0  1.00   0.30  24.06) =   0.231%  kept
          QD1   LEU   80 - HA    VAL   41  10.90 +/- 3.20  14.469% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.020%
          QD2   LEU   63 - HA    VAL   41   8.39 +/- 1.91   4.217% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.3, residual support = 75.5:
    * O T HA    VAL   41 - HB    VAL   41   2.76 +/- 0.25  98.024% * 99.8595% (0.69  10.0 10.00   4.30  75.49) =  99.999%  kept
          HA    HIS  122 - HB    VAL   41  17.33 +/- 5.79   0.951% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB    VAL   41  12.91 +/- 0.97   1.024% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.686, support = 4.25, residual support = 75.0:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  57.896% * 92.8489% (0.69  10.0 10.00   4.27  75.49) =  99.339%  kept
          QG1   VAL   43 - HB    VAL   41   5.78 +/- 1.62   5.257% *  6.0505% (0.65   1.0  1.00   1.38   1.44) =   0.588%  kept
        T QD2   LEU  104 - HB    VAL   41   7.62 +/- 2.42  13.580% *  0.1837% (0.14   1.0 10.00   0.02   0.02) =   0.046%
          QD2   LEU   73 - HB    VAL   41   6.80 +/- 2.68  13.010% *  0.0416% (0.31   1.0  1.00   0.02   0.02) =   0.010%
          HG    LEU   31 - HB    VAL   41   6.60 +/- 2.68   8.262% *  0.0563% (0.42   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   VAL   18 - HB    VAL   41  11.36 +/- 2.86   0.553% *  0.7096% (0.52   1.0 10.00   0.02   0.02) =   0.007%
          QD1   ILE   19 - HB    VAL   41   9.97 +/- 3.09   0.953% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB    VAL   41  12.44 +/- 1.29   0.324% *  0.0601% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.44 +/- 1.47   0.165% *  0.0207% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 4.14, residual support = 73.5:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  68.419% * 90.7490% (0.69  10.0 10.00   4.22  75.49) =  96.217%  kept
          QD2   LEU   98 - HB    VAL   41   3.97 +/- 1.51  26.754% *  9.1101% (0.65   1.0  1.00   2.12  24.06) =   3.777%  kept
          QD1   LEU   80 - HB    VAL   41  10.65 +/- 3.16   3.469% *  0.0858% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB    VAL   41   9.69 +/- 2.13   1.357% *  0.0550% (0.42   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 75.5:
    * O T HA    VAL   41 - QG2   VAL   41   2.47 +/- 0.42  97.298% * 99.8595% (1.00  10.0 10.00   3.92  75.49) =  99.998%  kept
          HA    HIS  122 - QG2   VAL   41  15.23 +/- 4.75   1.199% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - QG2   VAL   41  10.71 +/- 0.84   1.502% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.22, residual support = 75.5:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  83.541% * 99.0830% (0.69  10.0 10.00   4.22  75.49) =  99.984%  kept
          HG12  ILE  103 - QG2   VAL   41   7.05 +/- 1.73   6.268% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.009%
          HB    ILE  103 - QG2   VAL   41   8.60 +/- 1.86   2.216% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - QG2   VAL   41   7.48 +/- 2.02   3.329% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QG2   VAL   41  10.30 +/- 1.55   0.859% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   VAL   41  12.03 +/- 1.70   0.590% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QG2   VAL   41  11.82 +/- 1.30   0.557% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  18.20 +/- 3.56   0.183% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  13.11 +/- 2.46   0.871% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41  10.01 +/- 1.26   0.940% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.96 +/- 1.97   0.117% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.53 +/- 2.43   0.129% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  16.24 +/- 1.38   0.201% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.69 +/- 1.78   0.200% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.996, support = 3.88, residual support = 73.4:
    * O T QG1   VAL   41 - QG2   VAL   41   2.04 +/- 0.06  45.776% * 89.3170% (1.00  10.0 10.00   3.95  75.49) =  97.170%  kept
          QG1   VAL   43 - QG2   VAL   41   4.63 +/- 1.63  11.919% *  7.7388% (0.95   1.0  1.00   1.83   1.44) =   2.192%  kept
          HG    LEU   31 - QG2   VAL   41   4.88 +/- 2.54  10.556% *  1.4935% (0.61   1.0  1.00   0.55   0.02) =   0.375%  kept
          QD2   LEU   73 - QG2   VAL   41   5.39 +/- 2.20  17.432% *  0.4862% (0.45   1.0  1.00   0.24   0.02) =   0.201%  kept
        T QD2   LEU  104 - QG2   VAL   41   6.79 +/- 2.15  11.198% *  0.1768% (0.20   1.0 10.00   0.02   0.02) =   0.047%
        T QG2   VAL   18 - QG2   VAL   41   9.40 +/- 2.54   0.805% *  0.6826% (0.76   1.0 10.00   0.02   0.02) =   0.013%
          QD1   ILE   19 - QG2   VAL   41   7.84 +/- 2.78   1.739% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - QG2   VAL   41  10.38 +/- 0.83   0.405% *  0.0578% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QG2   VAL   41  13.32 +/- 1.12   0.170% *  0.0199% (0.22   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 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 = 4.45, residual support = 87.0:
    * O T HB    VAL   42 - HA    VAL   42   2.85 +/- 0.19  51.514% * 89.5367% (0.87  10.0 10.00   4.54  89.71) =  96.980%  kept
          QB    LEU   98 - HA    VAL   42   4.57 +/- 0.88  18.570% *  6.9416% (0.76   1.0  1.00   1.76   0.42) =   2.710%  kept
          HB3   LEU   73 - HA    VAL   42   9.10 +/- 2.61   7.425% *  1.7174% (0.80   1.0  1.00   0.42   0.45) =   0.268%  kept
        T HB2   LYS+ 112 - HA    PHE   55   9.07 +/- 3.36   4.965% *  0.1669% (0.16   1.0 10.00   0.02   0.12) =   0.017%
        T HB2   LYS+ 112 - HA    VAL   42  16.15 +/- 2.61   0.495% *  0.7090% (0.69   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LYS+  74 - HA    VAL   42  11.12 +/- 2.08   3.498% *  0.0502% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HA    VAL   42   8.74 +/- 1.76   2.830% *  0.0584% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   80 - HA    VAL   42  11.83 +/- 3.14   3.278% *  0.0319% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HA    VAL   42  12.01 +/- 1.37   0.854% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    VAL   42  12.98 +/- 2.00   0.653% *  0.0953% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   42 - HA    PHE   55  18.62 +/- 2.40   0.220% *  0.2107% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    VAL   42  14.97 +/- 4.61   0.953% *  0.0463% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    VAL   42  14.61 +/- 1.59   0.432% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    PHE   55  17.54 +/- 3.78   2.215% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    VAL   42  19.49 +/- 3.61   0.223% *  0.0996% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.08 +/- 2.86   0.394% *  0.0211% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.16 +/- 4.09   0.389% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.26 +/- 3.27   0.448% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  20.94 +/- 2.52   0.146% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  25.25 +/- 3.99   0.111% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  21.06 +/- 1.34   0.133% *  0.0138% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  27.70 +/- 2.81   0.065% *  0.0224% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.21 +/- 2.56   0.136% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  28.96 +/- 3.00   0.054% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 89.7:
    * O T QG1   VAL   42 - HA    VAL   42   2.79 +/- 0.31  82.496% * 98.1799% (0.97  10.0 10.00   4.00  89.71) =  99.960%  kept
        T QB    ALA   64 - HA    VAL   42   7.43 +/- 1.45   7.974% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.020%
        T QB    ALA   47 - HA    VAL   42  14.48 +/- 0.60   0.649% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.008%
        T QB    ALA   47 - HA    PHE   55  10.31 +/- 2.04   2.431% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.007%
        T QG1   VAL   42 - HA    PHE   55  14.22 +/- 1.73   0.836% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QB    ALA   64 - HA    PHE   55  12.87 +/- 2.02   1.306% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HA    PHE   55   9.39 +/- 2.58   3.499% *  0.0164% (0.16   1.0  1.00   0.02   0.12) =   0.001%
          HG2   LYS+ 112 - HA    VAL   42  15.53 +/- 2.64   0.807% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.8, support = 3.99, residual support = 89.5:
    * O T QG2   VAL   42 - HA    VAL   42   2.23 +/- 0.25  91.547% * 96.8205% (0.80  10.0 10.00   4.00  89.71) =  99.742%  kept
          QG2   VAL   75 - HA    VAL   42   6.05 +/- 1.06   7.789% *  2.9332% (0.65   1.0  1.00   0.75   0.02) =   0.257%  kept
        T QG2   VAL   42 - HA    PHE   55  15.76 +/- 1.92   0.318% *  0.2279% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   75 - HA    PHE   55  15.44 +/- 1.74   0.346% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.54, residual support = 89.7:
    * O T HA    VAL   42 - HB    VAL   42   2.85 +/- 0.19  79.129% * 97.9628% (0.87  10.0 10.00   4.54  89.71) =  99.948%  kept
        T HA    PHE   55 - HB2   LYS+ 112   9.07 +/- 3.36   7.280% *  0.3914% (0.35   1.0 10.00   0.02   0.12) =   0.037%
        T HA    VAL   42 - HB2   LYS+ 112  16.15 +/- 2.61   0.746% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.007%
        T HA    PHE   55 - HB    VAL   42  18.62 +/- 2.40   0.350% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HA    THR   46 - HB2   LYS+ 112   9.93 +/- 2.40   4.068% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HB    VAL   42  12.45 +/- 3.70   1.550% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   8.60 +/- 1.17   3.757% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB    VAL   42  13.50 +/- 0.83   0.796% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - HB    VAL   42  14.66 +/- 0.88   0.611% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  20.91 +/- 4.27   0.442% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  17.86 +/- 1.59   0.344% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  18.13 +/- 3.12   0.416% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  16.84 +/- 1.95   0.425% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  29.28 +/- 3.42   0.087% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.741, support = 5.04, residual support = 123.6:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  57.654% * 65.1690% (0.84  10.0 10.00   4.54  89.71) =  76.973%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.58 +/- 0.26  34.283% * 32.7352% (0.42  10.0 10.00   6.74 237.18) =  22.991%  kept
        T QB    ALA   47 - HB2   LYS+ 112   9.07 +/- 2.06   1.848% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.018%
        T QG1   VAL   42 - HB2   LYS+ 112  11.48 +/- 2.49   0.999% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+ 112 - HB    VAL   42  15.03 +/- 3.27   0.441% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.004%
        T QB    ALA   47 - HB    VAL   42  14.59 +/- 0.78   0.187% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   64 - HB    VAL   42   6.02 +/- 1.33   4.126% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HB2   LYS+ 112  12.05 +/- 2.02   0.460% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.694, support = 4.41, residual support = 89.6:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  94.593% * 96.7077% (0.69  10.0 10.00   4.41  89.71) =  99.882%  kept
          QG2   VAL   75 - HB    VAL   42   6.70 +/- 0.98   3.953% *  2.5547% (0.56   1.0  1.00   0.65   0.02) =   0.110%  kept
        T QG2   VAL   42 - HB2   LYS+ 112  12.63 +/- 2.39   0.984% *  0.6825% (0.49   1.0 10.00   0.02   0.02) =   0.007%
          QG2   VAL   75 - HB2   LYS+ 112  13.17 +/- 1.76   0.469% *  0.0551% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.836, support = 4.51, residual support = 89.0:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  65.987% * 89.4355% (0.84  10.0 10.00   4.54  89.71) =  99.163%  kept
          QB    LEU   98 - QG1   VAL   42   5.75 +/- 1.20  12.685% *  2.3222% (0.74   1.0  1.00   0.59   0.42) =   0.495%  kept
          HB3   LEU   73 - QG1   VAL   42   7.04 +/- 1.78   3.439% *  4.9866% (0.77   1.0  1.00   1.21   0.45) =   0.288%  kept
        T HB2   LYS+ 112 - QB    ALA   47   9.07 +/- 2.06   2.157% *  0.6116% (0.57   1.0 10.00   0.02   0.02) =   0.022%
        T HB2   LYS+ 112 - QG1   VAL   42  11.48 +/- 2.49   1.229% *  0.7082% (0.66   1.0 10.00   0.02   0.02) =   0.015%
          HG3   LYS+  65 - QB    ALA   47  13.69 +/- 5.15   2.254% *  0.0772% (0.72   1.0  1.00   0.02   0.02) =   0.003%
        T HB    VAL   42 - QB    ALA   47  14.59 +/- 0.78   0.212% *  0.7723% (0.72   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QG1   VAL   42   8.26 +/- 1.54   2.746% *  0.0502% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - QG1   VAL   42   7.98 +/- 1.48   1.780% *  0.0584% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG1   VAL   42  11.56 +/- 3.37   1.767% *  0.0462% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG1   VAL   42  10.32 +/- 1.75   0.725% *  0.0894% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG1   VAL   42  10.35 +/- 2.46   1.561% *  0.0318% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG1   VAL   42  11.83 +/- 1.47   0.460% *  0.0952% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    ALA   47  13.22 +/- 2.61   0.521% *  0.0713% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG1   VAL   42  12.01 +/- 1.23   0.403% *  0.0788% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QB    ALA   47  11.63 +/- 1.85   0.558% *  0.0433% (0.41   1.0  1.00   0.02   0.10) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.89 +/- 2.75   0.237% *  0.0995% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  12.00 +/- 1.85   0.509% *  0.0275% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.51 +/- 1.15   0.178% *  0.0680% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  20.86 +/- 3.85   0.129% *  0.0859% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.62 +/- 1.58   0.194% *  0.0504% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.39 +/- 1.79   0.072% *  0.0822% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  18.24 +/- 2.27   0.133% *  0.0399% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.16 +/- 1.49   0.062% *  0.0680% (0.64   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 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.772, support = 3.99, residual support = 89.5:
    * O T QG2   VAL   42 - QG1   VAL   42   2.06 +/- 0.05  90.094% * 96.1881% (0.77  10.0 10.00   4.00  89.71) =  99.719%  kept
          QG2   VAL   75 - QG1   VAL   42   4.91 +/- 0.66   8.233% *  2.9141% (0.62   1.0  1.00   0.75   0.02) =   0.276%  kept
        T QG2   VAL   42 - QB    ALA   47  12.35 +/- 0.79   0.445% *  0.8307% (0.67   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   75 - QB    ALA   47   9.17 +/- 1.02   1.228% *  0.0671% (0.54   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 89.7:
    * O T HA    VAL   42 - QG2   VAL   42   2.23 +/- 0.25  96.040% * 99.2010% (0.80  10.0 10.00   4.00  89.71) =  99.996%  kept
        T HA    PHE   55 - QG2   VAL   42  15.76 +/- 1.92   0.334% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   VAL   42  11.49 +/- 2.71   1.229% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - QG2   VAL   42  11.41 +/- 0.76   0.865% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.84 +/- 0.99   0.669% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  14.64 +/- 1.35   0.431% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  14.35 +/- 2.33   0.432% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.694, support = 4.39, residual support = 89.1:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  69.889% * 94.8160% (0.69  10.0 10.00   4.41  89.71) =  99.295%  kept
          QB    LEU   98 - QG2   VAL   42   4.57 +/- 1.19  17.187% *  2.4619% (0.61   1.0  1.00   0.59   0.42) =   0.634%  kept
          HB3   LEU   73 - QG2   VAL   42   8.40 +/- 1.98   2.579% *  1.3887% (0.64   1.0  1.00   0.32   0.45) =   0.054%
        T HB2   LYS+ 112 - QG2   VAL   42  12.63 +/- 2.39   0.745% *  0.7508% (0.55   1.0 10.00   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - QG2   VAL   42   7.17 +/- 1.44   2.517% *  0.0619% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QG2   VAL   42  11.14 +/- 4.33   2.573% *  0.0490% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QG2   VAL   42   9.94 +/- 1.74   1.472% *  0.0532% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QG2   VAL   42  11.54 +/- 1.41   0.579% *  0.1009% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QG2   VAL   42  10.44 +/- 1.45   0.680% *  0.0835% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG2   VAL   42  11.49 +/- 1.26   0.529% *  0.0948% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QG2   VAL   42  11.42 +/- 2.89   1.056% *  0.0337% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   42  16.22 +/- 2.43   0.193% *  0.1055% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 89.7:
    * O T QG1   VAL   42 - QG2   VAL   42   2.06 +/- 0.05  88.690% * 98.8869% (0.77  10.0 10.00   4.00  89.71) =  99.992%  kept
        T QB    ALA   47 - QG2   VAL   42  12.35 +/- 0.79   0.436% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA   64 - QG2   VAL   42   5.93 +/- 1.07   9.947% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - QG2   VAL   42  12.31 +/- 2.40   0.927% *  0.0704% (0.55   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.9:
    * O T HB    VAL   43 - HA    VAL   43   2.86 +/- 0.20  96.914% * 99.7401% (0.97  10.0 10.00   3.30  60.88) =  99.997%  kept
          HB2   LYS+  99 - HA    VAL   43  12.96 +/- 0.98   1.166% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HA    VAL   43  14.21 +/- 1.75   1.037% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    VAL   43  15.42 +/- 3.88   0.882% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.894, support = 4.49, residual support = 60.5:
    * O T QG1   VAL   43 - HA    VAL   43   2.77 +/- 0.22  57.844% * 97.6999% (0.90  10.0 10.00   4.52  60.88) =  99.330%  kept
          QD2   LEU   73 - HA    VAL   43   5.59 +/- 2.23  19.235% *  1.9065% (0.53   1.0  1.00   0.67   2.76) =   0.645%  kept
          QG1   VAL   41 - HA    VAL   43   7.04 +/- 0.80   4.704% *  0.1080% (0.99   1.0  1.00   0.02   1.44) =   0.009%
          QG2   VAL   18 - HA    VAL   43   9.62 +/- 3.45   4.369% *  0.0748% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - HA    VAL   43   8.78 +/- 2.68   3.006% *  0.0748% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HA    VAL   43   7.44 +/- 0.66   3.456% *  0.0617% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU  104 - HA    VAL   43  10.17 +/- 2.42   5.143% *  0.0168% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HA    VAL   43  10.57 +/- 2.41   1.409% *  0.0272% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HA    VAL   43  11.88 +/- 1.19   0.833% *  0.0303% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.688, support = 2.96, residual support = 59.9:
    * O T QG2   VAL   43 - HA    VAL   43   2.16 +/- 0.26  90.276% * 76.1657% (0.69  10.0 10.00   3.00  60.88) =  98.415%  kept
        T QD2   LEU   31 - HA    VAL   43   6.85 +/- 2.32   4.644% * 23.8035% (0.73   1.0 10.00   0.59   0.02) =   1.582%  kept
          QG2   VAL   83 - HA    VAL   43   6.52 +/- 1.69   5.080% *  0.0308% (0.28   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 5.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.9:
    * O T HA    VAL   43 - HB    VAL   43   2.86 +/- 0.20  94.493% * 99.8083% (0.97  10.0 10.00   3.30  60.88) =  99.997%  kept
          HA    ASN   69 - HB    VAL   43  14.43 +/- 2.33   1.259% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - HB    VAL   43  10.92 +/- 2.10   3.358% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB    VAL   43  14.33 +/- 2.36   0.890% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.88, residual support = 60.7:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.01  69.545% * 90.1321% (0.87  10.0 10.00   3.89  60.88) =  99.671%  kept
        T QG1   VAL   41 - HB    VAL   43   7.71 +/- 1.10   1.967% *  8.7907% (0.96   1.0 10.00   0.18   1.44) =   0.275%  kept
        T QD2   LEU  104 - HB    VAL   43   9.51 +/- 2.76  13.595% *  0.1551% (0.15   1.0 10.00   0.02   0.02) =   0.034%
        T QG2   VAL   18 - HB    VAL   43  11.52 +/- 3.30   0.828% *  0.6903% (0.66   1.0 10.00   0.02   0.02) =   0.009%
          QD2   LEU   73 - HB    VAL   43   7.28 +/- 2.52  10.535% *  0.0529% (0.51   1.0  1.00   0.02   2.76) =   0.009%
          QG2   THR   46 - HB    VAL   43   8.22 +/- 1.02   1.423% *  0.0569% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   43   9.61 +/- 2.98   1.162% *  0.0690% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    VAL   43  12.46 +/- 2.53   0.575% *  0.0251% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.55 +/- 1.42   0.369% *  0.0279% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.84, residual support = 60.1:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  89.139% * 71.1513% (0.66  10.0 10.00   2.87  60.88) =  98.683%  kept
        T QD2   LEU   31 - HB    VAL   43   7.69 +/- 2.45   2.817% * 28.2060% (0.70   1.0 10.00   0.75   0.02) =   1.236%  kept
          QG2   VAL   83 - HB    VAL   43   5.73 +/- 1.98   8.043% *  0.6427% (0.27   1.0  1.00   0.45   0.02) =   0.080%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.51, residual support = 60.9:
    * O T HA    VAL   43 - QG1   VAL   43   2.77 +/- 0.22  92.529% * 99.8083% (0.90  10.0 10.00   4.52  60.88) =  99.996%  kept
          HA    ASN   69 - QG1   VAL   43  12.07 +/- 1.64   1.409% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG1   VAL   43  11.84 +/- 2.20   1.536% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   71 - QG1   VAL   43   8.91 +/- 1.64   4.526% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 3.89, residual support = 60.9:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.01  97.578% * 99.7401% (0.87  10.0 10.00   3.89  60.88) =  99.998%  kept
          QD    LYS+  81 - QG1   VAL   43  11.45 +/- 1.83   1.078% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG1   VAL   43  10.28 +/- 1.05   0.947% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG1   VAL   43  14.81 +/- 3.52   0.397% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.617, support = 3.9, residual support = 58.8:
    * O T QG2   VAL   43 - QG1   VAL   43   2.02 +/- 0.06  80.740% * 71.1585% (0.62  10.0 10.00   4.01  60.88) =  96.617%  kept
        T QD2   LEU   31 - QG1   VAL   43   5.69 +/- 2.55   6.854% * 28.2089% (0.65   1.0 10.00   0.75   0.02) =   3.251%  kept
          QG2   VAL   83 - QG1   VAL   43   4.68 +/- 1.53  12.406% *  0.6327% (0.25   1.0  1.00   0.44   0.02) =   0.132%  kept
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.661, support = 2.87, residual support = 60.7:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  93.133% * 90.0132% (0.66  10.0 10.00   2.87  60.88) =  99.659%  kept
        T HB    VAL   43 - QD2   LEU   31   7.69 +/- 2.45   2.942% *  9.6849% (0.19   1.0 10.00   0.75   0.02) =   0.339%  kept
          QD    LYS+  81 - QG2   VAL   43  10.48 +/- 1.33   0.982% *  0.0924% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  11.30 +/- 1.09   0.681% *  0.0931% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QD2   LEU   31  11.39 +/- 2.09   0.787% *  0.0267% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  14.38 +/- 3.33   0.414% *  0.0491% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  13.48 +/- 3.27   0.564% *  0.0265% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.66 +/- 1.53   0.497% *  0.0141% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.537, support = 4.28, residual support = 87.6:
    * O T QG1   VAL   43 - QG2   VAL   43   2.02 +/- 0.06  32.370% * 79.0158% (0.62  10.0 10.00   4.01  60.88) =  83.273%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.01  28.183% * 17.3644% (0.14  10.0 10.00   5.89 231.30) =  15.933%  kept
          QD2   LEU   73 - QG2   VAL   43   5.41 +/- 2.30   8.721% *  1.7383% (0.36   1.0  1.00   0.75   2.76) =   0.494%  kept
          QG1   VAL   41 - QD2   LEU   31   4.37 +/- 1.71  10.131% *  0.6596% (0.20   1.0  1.00   0.53   0.02) =   0.218%  kept
        T HG    LEU   31 - QG2   VAL   43   6.98 +/- 2.81   1.663% *  0.6052% (0.47   1.0 10.00   0.02   0.02) =   0.033%
          QD2   LEU   73 - QD2   LEU   31   4.64 +/- 2.19   8.151% *  0.0832% (0.10   1.0  1.00   0.13   1.62) =   0.022%
        T QG1   VAL   43 - QD2   LEU   31   5.69 +/- 2.55   2.579% *  0.2267% (0.18   1.0 10.00   0.02   0.02) =   0.019%
          QG1   VAL   41 - QG2   VAL   43   6.19 +/- 0.95   1.489% *  0.0873% (0.68   1.0  1.00   0.02   1.44) =   0.004%
          QG2   VAL   18 - QG2   VAL   43   9.35 +/- 3.06   0.846% *  0.0605% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - QG2   VAL   43   6.86 +/- 0.75   0.902% *  0.0499% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - QG2   VAL   43   8.80 +/- 2.10   1.990% *  0.0136% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG2   VAL   43   9.79 +/- 2.23   0.414% *  0.0220% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.21 +/- 1.62   0.510% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   7.13 +/- 1.08   0.846% *  0.0063% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.11 +/- 1.20   0.211% *  0.0245% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.44 +/- 1.57   0.321% *  0.0143% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.52 +/- 2.34   0.564% *  0.0039% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  13.95 +/- 1.35   0.108% *  0.0070% (0.05   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 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.65, residual support = 39.4:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.71 +/- 0.26  90.015% * 97.1917% (1.00  10.0 10.00   2.65  39.45) =  99.979%  kept
        T QG    GLU-  15 - HA    ASP-  44  17.22 +/- 2.87   0.530% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.006%
        T QG    GLU-  14 - HA    ASP-  44  18.56 +/- 3.44   0.419% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PHE   72 - HA    ASP-  44   8.56 +/- 1.13   3.564% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T QB    MET   11 - HA    ASP-  44  23.10 +/- 5.25   0.487% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - HA    ASP-  44  11.58 +/- 2.61   2.032% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    ASP-  44  11.69 +/- 1.28   1.361% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ASP-  44  11.54 +/- 0.76   1.255% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  18.14 +/- 2.13   0.337% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.12, residual support = 39.1:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.66 +/- 0.32  75.468% * 76.9961% (1.00  10.0 10.00   4.15  39.45) =  99.116%  kept
        T QB    ALA   84 - HA    ASP-  44   9.50 +/- 1.60   2.252% * 22.4478% (0.80   1.0 10.00   0.73   0.02) =   0.862%  kept
          HB2   LEU   63 - HA    ASP-  44   8.55 +/- 2.99   6.539% *  0.0755% (0.98   1.0  1.00   0.02   0.02) =   0.008%
          HB3   PRO   93 - HA    ASP-  44   7.79 +/- 1.54   6.200% *  0.0588% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          HB3   LEU   80 - HA    ASP-  44  10.28 +/- 1.76   1.965% *  0.0711% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    ASP-  44  11.15 +/- 1.78   1.735% *  0.0691% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    ASP-  44  14.30 +/- 2.17   0.665% *  0.0617% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASP-  44  14.59 +/- 2.07   0.715% *  0.0559% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    ASP-  44  10.06 +/- 1.60   1.836% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    ASP-  44  18.80 +/- 2.82   0.300% *  0.0743% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  11.51 +/- 2.16   1.721% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  15.90 +/- 1.01   0.404% *  0.0345% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.10 +/- 1.02   0.201% *  0.0263% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.65, residual support = 39.4:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.71 +/- 0.26  90.512% * 98.1053% (1.00  10.0 10.00   2.65  39.45) =  99.989%  kept
        T HA    MET   11 - HB2   ASP-  44  24.38 +/- 5.30   0.305% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - HB2   ASP-  44  10.98 +/- 1.34   1.508% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  14 - HB2   ASP-  44  18.83 +/- 3.11   0.361% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  44  12.85 +/- 1.65   1.366% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   ASP-  44  16.11 +/- 1.51   0.499% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   ASP-  44  10.85 +/- 2.39   2.744% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   ASP-  44  13.82 +/- 1.19   0.760% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   ASP-  44  14.81 +/- 1.41   0.633% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.34 +/- 1.68   0.575% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.27 +/- 1.10   0.481% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.05 +/- 3.85   0.257% *  0.0478% (0.49   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 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 39.4:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  85.642% * 99.2040% (1.00  10.0 10.00   2.74  39.45) =  99.986%  kept
          HB3   PRO   93 - HB2   ASP-  44   8.69 +/- 1.98   6.821% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU   63 - HB2   ASP-  44   7.08 +/- 2.83   4.748% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   80 - HB2   ASP-  44  11.10 +/- 1.91   0.472% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB2   ASP-  44  12.07 +/- 2.02   0.421% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  10.87 +/- 1.66   0.445% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.40 +/- 1.87   0.180% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.57 +/- 2.30   0.163% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.22 +/- 2.98   0.100% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  11.90 +/- 2.13   0.397% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  11.77 +/- 2.21   0.427% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.20 +/- 1.68   0.119% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.61 +/- 1.53   0.065% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 39.4:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.66 +/- 0.32  89.757% * 99.3093% (1.00  10.0 10.00   4.15  39.45) =  99.993%  kept
          HB    THR   77 - HB3   ASP-  44  10.61 +/- 1.83   2.931% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HA    ILE  103 - HB3   ASP-  44  13.14 +/- 1.78   1.015% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB3   ASP-  44  13.77 +/- 1.76   0.980% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   ASP-  44  15.78 +/- 1.55   0.544% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   ASP-  44  10.67 +/- 2.69   2.374% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.88 +/- 1.51   0.682% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  15.57 +/- 1.28   0.528% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  24.99 +/- 5.15   0.225% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.13 +/- 1.13   0.470% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  19.57 +/- 2.85   0.306% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.69 +/- 3.68   0.190% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 39.4:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  96.812% * 99.4398% (1.00  10.0 10.00   2.74  39.45) =  99.997%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.01 +/- 1.01   1.223% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44  11.26 +/- 2.85   0.739% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  13.03 +/- 1.71   0.353% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  16.22 +/- 2.68   0.169% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  17.50 +/- 3.03   0.133% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  22.09 +/- 4.88   0.122% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.03 +/- 1.23   0.337% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.90 +/- 2.41   0.111% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.2:
    * O T HB2   PHE   45 - HA    PHE   45   2.78 +/- 0.27  96.855% * 99.8680% (1.00  10.0 10.00   3.31  80.15) =  99.998%  kept
          QE    LYS+ 111 - HA    PHE   45  14.16 +/- 2.59   1.337% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HA    PHE   45  12.61 +/- 3.02   1.808% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 80.1:
    * O T HB3   PHE   45 - HA    PHE   45   2.75 +/- 0.28  90.791% * 99.6736% (1.00  10.0 10.00   3.99  80.15) =  99.993%  kept
          QE    LYS+ 112 - HA    PHE   45   9.19 +/- 1.77   4.062% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL  107 - HA    PHE   45  10.89 +/- 0.97   1.752% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HA    PHE   45  12.36 +/- 1.32   1.282% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HA    PHE   45  19.09 +/- 2.96   0.367% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  13.42 +/- 3.22   1.431% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  19.21 +/- 2.05   0.315% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.2:
    * O T HA    PHE   45 - HB2   PHE   45   2.78 +/- 0.27  98.738% * 99.9145% (1.00  10.0 10.00   3.31  80.15) =  99.999%  kept
          HA    VAL   41 - HB2   PHE   45  13.88 +/- 0.52   0.892% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB2   PHE   45  19.75 +/- 2.26   0.370% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.2:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  97.065% * 99.6736% (1.00  10.0 10.00   3.31  80.15) =  99.998%  kept
          QE    LYS+ 112 - HB2   PHE   45   8.95 +/- 1.98   1.409% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  107 - HB2   PHE   45   9.85 +/- 1.33   0.653% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HB2   PHE   45  11.75 +/- 1.26   0.377% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  14.30 +/- 3.43   0.354% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  20.51 +/- 2.90   0.072% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  20.18 +/- 2.18   0.070% *  0.0222% (0.22   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 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 80.2:
    * O T HA    PHE   45 - HB3   PHE   45   2.75 +/- 0.28  98.765% * 99.9145% (1.00  10.0 10.00   3.99  80.15) =  99.999%  kept
          HA    VAL   41 - HB3   PHE   45  13.68 +/- 0.78   0.901% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HB3   PHE   45  19.84 +/- 2.37   0.333% *  0.0249% (0.25   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 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.2:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.252% * 99.8680% (1.00  10.0 10.00   3.31  80.15) =  99.999%  kept
          QE    LYS+ 111 - HB3   PHE   45  13.09 +/- 2.95   0.452% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB3   PHE   45  14.31 +/- 3.32   0.296% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 34.1:
    * O T HB    THR   46 - HA    THR   46   2.49 +/- 0.14  95.549% * 98.0423% (1.00  10.0 10.00   2.92  34.15) =  99.995%  kept
          HA    LYS+ 112 - HA    THR   46   9.65 +/- 2.02   3.198% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.002%
        T HB    THR   46 - HA    SER   37  25.53 +/- 2.22   0.111% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB    THR   46 - HA    SER   13  25.22 +/- 2.89   0.106% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - HA    THR   46  18.57 +/- 3.02   0.356% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  21.27 +/- 7.00   0.344% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  24.67 +/- 4.78   0.196% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  28.37 +/- 2.66   0.074% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  29.71 +/- 3.44   0.066% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T QG2   THR   46 - HA    THR   46   2.94 +/- 0.32  66.857% * 97.3989% (1.00  10.0 10.00   3.00  34.15) =  99.960%  kept
          QD1   ILE   19 - HA    SER   37  10.30 +/- 3.80   6.094% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.008%
          QG2   VAL   18 - HA    SER   37  14.40 +/- 3.18   3.787% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QD1   ILE   19 - HA    SER   13   8.41 +/- 1.80   5.625% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.004%
        T QG2   THR   46 - HA    SER   37  20.36 +/- 1.83   0.252% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    THR   46   9.40 +/- 1.26   2.864% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   41 - HA    SER   37   8.44 +/- 0.82   3.524% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.003%
        T QG2   THR   46 - HA    SER   13  20.11 +/- 2.78   0.314% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HA    THR   46  12.41 +/- 3.60   1.656% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    SER   13  11.37 +/- 1.79   2.453% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HA    SER   37  13.35 +/- 1.52   0.848% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  15.03 +/- 1.37   0.608% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    THR   46  15.75 +/- 1.59   0.545% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  104 - HA    THR   46  16.39 +/- 2.40   0.599% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    THR   46  15.03 +/- 0.94   0.574% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    SER   13  15.88 +/- 3.33   0.726% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  19.17 +/- 3.53   0.452% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.00 +/- 1.00   0.922% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  21.66 +/- 2.40   0.203% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.19 +/- 2.31   0.468% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  18.57 +/- 4.21   0.629% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 34.1:
    * O T HA    THR   46 - HB    THR   46   2.49 +/- 0.14  95.932% * 98.0777% (1.00  10.0 10.00   2.92  34.15) =  99.996%  kept
          HA    PRO   58 - HB    THR   46  12.24 +/- 2.98   2.131% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   37 - HB    THR   46  25.53 +/- 2.22   0.111% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   13 - HB    THR   46  25.22 +/- 2.89   0.107% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    THR   46  12.77 +/- 1.08   0.847% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  17.78 +/- 4.38   0.406% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.42 +/- 1.62   0.276% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  21.30 +/- 3.06   0.190% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  95.534% * 99.5878% (1.00  10.0 10.00   3.00  34.15) =  99.996%  kept
          QG2   VAL   18 - HB    THR   46  11.34 +/- 3.82   1.545% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB    THR   46   9.39 +/- 1.43   1.567% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB    THR   46  14.85 +/- 1.93   0.356% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  16.02 +/- 2.77   0.345% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.55 +/- 1.40   0.365% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.72 +/- 2.55   0.288% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T HA    THR   46 - QG2   THR   46   2.94 +/- 0.32  89.476% * 98.0777% (1.00  10.0 10.00   3.00  34.15) =  99.986%  kept
        T HA    SER   37 - QG2   THR   46  20.36 +/- 1.83   0.348% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HA    SER   13 - QG2   THR   46  20.11 +/- 2.78   0.425% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.003%
          HA    PRO   58 - QG2   THR   46   9.99 +/- 2.18   4.125% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    GLN   17 - QG2   THR   46  13.94 +/- 3.75   1.461% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - QG2   THR   46   9.92 +/- 0.82   2.586% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - QG2   THR   46  16.76 +/- 2.61   0.664% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  14.55 +/- 1.40   0.914% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.1:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  95.701% * 99.8459% (1.00  10.0 10.00   3.00  34.15) =  99.997%  kept
          HA    LYS+ 112 - QG2   THR   46   8.51 +/- 2.14   3.831% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   HIS  122 - QG2   THR   46  14.58 +/- 2.70   0.468% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.8:
    * O T QB    ALA   47 - HA    ALA   47   2.12 +/- 0.01  97.174% * 99.0048% (0.95  10.0 10.00   2.00  10.77) =  99.994%  kept
        T QG1   VAL   42 - HA    ALA   47  12.06 +/- 0.86   0.559% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.005%
          HG2   LYS+ 112 - HA    ALA   47  10.23 +/- 2.59   1.442% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - HA    ALA   47  11.90 +/- 2.23   0.825% *  0.0323% (0.31   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 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   2.12 +/- 0.01  61.336% * 89.9070% (0.95  10.0 10.00   2.00  10.77) =  96.895%  kept
          HA    CYS   50 - QB    ALA   47   3.66 +/- 1.31  27.869% *  5.3363% (0.42   1.0  1.00   2.65   6.62) =   2.613%  kept
          HA    TRP   49 - QB    ALA   47   4.53 +/- 0.41   7.319% *  3.7726% (0.26   1.0  1.00   3.02  15.14) =   0.485%  kept
        T HA    ALA   47 - QG1   VAL   42  12.06 +/- 0.86   0.346% *  0.6886% (0.72   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  108 - QB    ALA   47  11.91 +/- 2.53   0.609% *  0.0881% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QG1   VAL   42  10.59 +/- 1.80   0.645% *  0.0675% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    ALA   47  12.61 +/- 2.57   0.453% *  0.0370% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.59 +/- 1.46   0.268% *  0.0309% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.71 +/- 1.96   0.284% *  0.0283% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.74 +/- 1.37   0.414% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  15.25 +/- 1.99   0.229% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  15.68 +/- 2.50   0.229% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.69, residual support = 9.17:
    * O T QB    SER   48 - HA    SER   48   2.26 +/- 0.09  80.271% * 96.0221% (1.00  10.0 10.00   1.70   9.17) =  99.964%  kept
        T QB    SER   85 - HB2   SER   82   5.36 +/- 0.31   6.395% *  0.2561% (0.27   1.0 10.00   0.02   2.90) =   0.021%
        T QB    SER   48 - HB2   SER   82  16.57 +/- 3.93   0.473% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.003%
        T QB    SER   85 - HA    SER   48  16.39 +/- 2.74   0.318% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HA    SER   48   9.38 +/- 1.30   1.363% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QB    SER  117 - HA    SER   48  18.74 +/- 2.11   0.178% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    SER   48  15.84 +/- 5.62   2.015% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   48  12.22 +/- 1.48   0.715% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA2   GLY   16 - HA    SER   48  23.59 +/- 5.66   0.114% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER  117 - HA    VAL   70  15.89 +/- 3.86   0.463% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   48 - HA    VAL   70  18.77 +/- 2.69   0.220% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   SER   82  13.98 +/- 1.87   0.519% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  10.65 +/- 4.05   1.559% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  24.60 +/- 1.67   0.067% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  21.14 +/- 1.87   0.113% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.04 +/- 1.12   1.134% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  16.03 +/- 5.39   0.511% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  15.93 +/- 5.53   0.464% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  22.86 +/- 2.92   0.102% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  13.22 +/- 2.47   0.604% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  24.51 +/- 2.49   0.076% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  16.29 +/- 1.42   0.241% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  10.60 +/- 2.54   1.513% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  25.08 +/- 3.33   0.080% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  22.40 +/- 4.46   0.141% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  22.12 +/- 2.56   0.098% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  29.18 +/- 2.98   0.043% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  29.85 +/- 2.27   0.038% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  27.23 +/- 4.40   0.054% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  21.32 +/- 2.76   0.119% *  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 = 0.994, support = 4.13, residual support = 77.5:
    * O T HB2   TRP   49 - HA    TRP   49   2.46 +/- 0.16  85.001% * 50.9151% (1.00  10.0 10.00   4.22  85.92) =  89.529%  kept
        T HB2   TRP   49 - HA    CYS   50   5.14 +/- 0.46  10.534% * 47.9899% (0.94   1.0 10.00   3.36   5.15) =  10.458%  kept
        T HA2   GLY  109 - HA    TRP   49  18.99 +/- 4.75   0.787% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.007%
        T HA2   GLY  109 - HA    CYS   50  16.78 +/- 3.41   0.544% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE  119 - HA    CYS   50  16.78 +/- 3.52   0.722% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HA    TRP   49  17.32 +/- 2.41   0.388% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  16.95 +/- 2.87   0.381% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  19.87 +/- 3.41   0.243% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  18.65 +/- 3.03   0.255% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  21.76 +/- 2.71   0.145% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  14.70 +/- 2.35   0.529% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.38 +/- 2.36   0.471% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.83, support = 4.13, residual support = 77.8:
    * O T HB3   TRP   49 - HA    TRP   49   2.54 +/- 0.28  87.197% * 51.4295% (0.84  10.0 10.00   4.22  85.92) =  89.896%  kept
        T HB3   TRP   49 - HA    CYS   50   5.73 +/- 0.45  10.396% * 48.4748% (0.79   1.0 10.00   3.38   5.15) =  10.102%  kept
          HB3   PHE   59 - HA    CYS   50  11.99 +/- 2.14   1.566% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   59 - HA    TRP   49  15.17 +/- 2.72   0.841% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 4.13, residual support = 77.4:
    * O T HA    TRP   49 - HB2   TRP   49   2.46 +/- 0.16  83.809% * 51.0809% (1.00  10.0 10.00   4.22  85.92) =  89.495%  kept
        T HA    CYS   50 - HB2   TRP   49   5.14 +/- 0.46  10.384% * 48.3205% (0.95   1.0 10.00   3.36   5.15) =  10.490%  kept
        T HA1   GLY  109 - HB2   TRP   49  18.59 +/- 4.52   1.331% *  0.4930% (0.97   1.0 10.00   0.02   0.02) =   0.014%
          HA    ALA   47 - HB2   TRP   49   7.26 +/- 0.42   3.573% *  0.0142% (0.28   1.0  1.00   0.02  15.14) =   0.001%
          HA    CYS   21 - HB2   TRP   49  21.02 +/- 4.48   0.325% *  0.0483% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  18.51 +/- 3.72   0.522% *  0.0101% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  29.12 +/- 2.06   0.055% *  0.0330% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 85.9:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00  99.783% * 99.9042% (0.84  10.0 10.00   3.12  85.92) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  15.36 +/- 2.65   0.217% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.831, support = 4.13, residual support = 77.7:
    * O T HA    TRP   49 - HB3   TRP   49   2.54 +/- 0.28  82.600% * 51.3085% (0.84  10.0 10.00   4.22  85.92) =  89.873%  kept
        T HA    CYS   50 - HB3   TRP   49   5.73 +/- 0.45   9.836% * 48.5358% (0.79   1.0 10.00   3.38   5.15) =  10.123%  kept
          HA    ALA   47 - HB3   TRP   49   6.62 +/- 0.57   5.496% *  0.0143% (0.23   1.0  1.00   0.02  15.14) =   0.002%
          HA1   GLY  109 - HB3   TRP   49  18.65 +/- 4.75   0.903% *  0.0495% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HB3   TRP   49  20.57 +/- 4.82   0.662% *  0.0485% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - HB3   TRP   49  18.44 +/- 3.88   0.434% *  0.0102% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  28.78 +/- 1.99   0.069% *  0.0332% (0.54   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.12, residual support = 85.9:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.195% * 99.6151% (0.84  10.0 10.00   3.12  85.92) =  99.999%  kept
          HA2   GLY  109 - HB3   TRP   49  18.70 +/- 4.76   0.321% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  17.45 +/- 2.50   0.159% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  20.42 +/- 3.72   0.103% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  22.11 +/- 3.06   0.060% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.17 +/- 2.47   0.161% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 1.96, residual support = 7.4:
    * O T QB    CYS   50 - HA    CYS   50   2.30 +/- 0.16  79.851% * 51.3514% (1.00  10.0 10.00   1.81   7.70) =  88.071%  kept
        T QB    CYS   50 - HA    TRP   49   4.55 +/- 0.36  11.468% * 48.4012% (0.94   1.0 10.00   3.05   5.15) =  11.922%  kept
          QE    LYS+  74 - HA    CYS   50  10.93 +/- 3.41   2.604% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  74 - HA    TRP   49  11.63 +/- 4.16   2.677% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HA    TRP   49  14.25 +/- 5.54   1.340% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  14.87 +/- 5.74   1.236% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  18.53 +/- 3.05   0.310% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  24.39 +/- 4.71   0.126% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  22.75 +/- 3.18   0.118% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  16.90 +/- 2.31   0.268% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 1.96, residual support = 7.39:
    * O T HA    CYS   50 - QB    CYS   50   2.30 +/- 0.16  80.948% * 50.2015% (1.00  10.0 10.00   1.81   7.70) =  87.794%  kept
        T HA    TRP   49 - QB    CYS   50   4.55 +/- 0.36  11.626% * 47.4885% (0.95   1.0 10.00   3.05   5.15) =  11.927%  kept
          HA    ALA   47 - QB    CYS   50   5.69 +/- 0.58   5.885% *  2.1801% (0.45   1.0  1.00   1.94   6.62) =   0.277%  kept
          HA    CYS   21 - QB    CYS   50  16.45 +/- 2.97   0.604% *  0.0402% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QB    CYS   50  15.69 +/- 3.12   0.407% *  0.0501% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  15.00 +/- 3.00   0.441% *  0.0171% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.70 +/- 2.88   0.089% *  0.0225% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 223.5:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  85.119% * 99.8323% (1.00  10.0 10.00   7.05 223.47) =  99.991%  kept
          HA    LYS+ 111 - HD2   PRO   52  12.62 +/- 3.95   8.054% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          HA    ALA   91 - HD2   PRO   52  13.79 +/- 3.63   4.740% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HD2   PRO   52  22.43 +/- 3.26   0.619% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  17.69 +/- 2.65   1.469% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 223.5:
    * O T HB2   PRO   52 - HD2   PRO   52   3.96 +/- 0.09  95.744% * 99.5699% (1.00  10.0 10.00   6.61 223.47) =  99.995%  kept
        T HG2   MET   96 - HD2   PRO   52  19.86 +/- 2.25   0.894% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  62 - HD2   PRO   52  15.52 +/- 3.14   3.362% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.997, support = 6.64, residual support = 222.4:
    * O T HB3   PRO   52 - HD2   PRO   52   3.93 +/- 0.09  67.902% * 96.3037% (1.00  10.0 10.00   6.67 223.47) =  99.530%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.81 +/- 0.78  14.493% *  1.9508% (0.38   1.0  1.00   1.08   1.91) =   0.430%  kept
        T HG    LEU  123 - HD2   PRO   52  20.33 +/- 5.25   1.921% *  0.9630% (1.00   1.0 10.00   0.02   0.02) =   0.028%
          QB    LYS+  66 - HD2   PRO   52  16.26 +/- 4.30   4.407% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HG2   PRO   93 - HD2   PRO   52  10.78 +/- 2.79   5.784% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HD2   PRO   52  18.12 +/- 3.41   0.979% *  0.1486% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - HD2   PRO   52  26.34 +/- 2.48   0.257% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HD2   PRO   52  21.94 +/- 5.15   1.012% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HD2   PRO   52  23.24 +/- 2.80   0.399% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HD2   PRO   52  23.05 +/- 1.89   0.370% *  0.0736% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  17.51 +/- 3.79   1.362% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  21.25 +/- 2.56   0.506% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  24.76 +/- 2.59   0.329% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.70 +/- 2.33   0.279% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.5:
    * O T HG2   PRO   52 - HD2   PRO   52   2.33 +/- 0.12  95.655% * 99.6094% (1.00  10.0 10.00   6.44 223.47) =  99.997%  kept
          HG2   MET   92 - HD2   PRO   52  11.25 +/- 3.87   2.663% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD2   PRO   52  13.36 +/- 2.43   0.761% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD2   PRO   52  18.25 +/- 4.09   0.313% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.77 +/- 5.44   0.128% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.55 +/- 1.17   0.444% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.99 +/- 2.67   0.036% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.4:
    * O T HG3   PRO   52 - HD2   PRO   52   2.84 +/- 0.12  94.989% * 98.5427% (1.00  10.0 10.00   6.44 223.47) =  99.989%  kept
        T HG2   PRO   58 - HD2   PRO   52  13.67 +/- 1.30   0.924% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.010%
          HB2   PRO   93 - HD2   PRO   52  10.49 +/- 2.43   2.856% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLN   32 - HD2   PRO   52  26.50 +/- 2.58   0.129% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  22.86 +/- 5.04   0.414% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.05 +/- 3.95   0.131% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  32.08 +/- 6.34   0.102% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.39 +/- 5.16   0.455% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 223.5:
    * O T HB2   PRO   52 - HA    PRO   52   2.47 +/- 0.21  99.163% * 99.5699% (1.00  10.0 10.00   5.24 223.47) =  99.999%  kept
        T HG2   MET   96 - HA    PRO   52  20.58 +/- 2.27   0.234% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HA    PRO   52  14.76 +/- 2.41   0.603% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.18, residual support = 223.1:
    * O T HB3   PRO   52 - HA    PRO   52   2.56 +/- 0.21  70.982% * 98.8795% (1.00  10.0 10.00   6.19 223.47) =  99.846%  kept
          HG2   ARG+  54 - HA    PRO   52   5.26 +/- 1.72  23.963% *  0.4401% (0.38   1.0  1.00   0.24   1.91) =   0.150%  kept
          QB    LYS+  66 - HA    PRO   52  15.80 +/- 3.93   1.487% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   52  18.98 +/- 4.73   0.490% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    PRO   52  11.47 +/- 3.74   1.442% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HA    PRO   52  20.41 +/- 3.47   0.183% *  0.1526% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  21.35 +/- 5.51   0.603% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.80 +/- 2.84   0.108% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.67 +/- 1.99   0.105% *  0.0756% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  21.10 +/- 2.54   0.154% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  19.50 +/- 4.08   0.252% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  25.27 +/- 2.45   0.083% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.03 +/- 2.43   0.071% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  26.07 +/- 2.31   0.076% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.4:
    * O T HG2   PRO   52 - HA    PRO   52   3.97 +/- 0.02  83.686% * 99.6094% (1.00  10.0 10.00   5.98 223.47) =  99.988%  kept
          HG2   MET   92 - HA    PRO   52  12.92 +/- 4.62   8.384% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QG    GLU- 114 - HA    PRO   52  12.69 +/- 2.50   3.977% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    PRO   52  20.39 +/- 4.12   0.944% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HA    PRO   52  13.09 +/- 1.20   2.561% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  29.49 +/- 5.03   0.311% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.53 +/- 2.82   0.136% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.27 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 223.4:
    * O T HG3   PRO   52 - HA    PRO   52   3.88 +/- 0.02  87.138% * 98.7160% (1.00  10.0 10.00   5.95 223.47) =  99.955%  kept
        T HG2   PRO   58 - HA    PRO   52  11.88 +/- 1.39   3.583% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.041%
          HB2   PRO   93 - HA    PRO   52  11.38 +/- 2.95   6.327% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   68 - HA    PRO   52  22.35 +/- 5.31   1.383% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  28.22 +/- 4.31   0.323% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  32.44 +/- 6.04   0.218% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.19 +/- 4.85   0.758% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  27.43 +/- 2.22   0.269% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.67 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 223.5:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  89.411% * 99.4673% (1.00  10.0 10.00   7.05 223.47) =  99.994%  kept
          HA    SER   48 - HA    PRO   52  11.56 +/- 1.02   3.986% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - HA    PRO   52  18.48 +/- 2.79   1.265% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HA    PRO   52  22.61 +/- 3.16   0.635% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    PRO   52  25.45 +/- 4.66   0.661% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  22.31 +/- 2.94   0.624% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  18.76 +/- 3.56   1.431% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  20.43 +/- 3.18   0.897% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  30.40 +/- 2.35   0.215% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  25.74 +/- 3.66   0.432% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.55 +/- 2.98   0.249% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.43 +/- 2.54   0.195% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.66 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 223.5:
    * O T HA    PRO   52 - HB2   PRO   52   2.47 +/- 0.21  84.657% * 99.4915% (1.00  10.0 10.00   5.24 223.47) =  99.993%  kept
          HA    LYS+ 111 - HB2   PRO   52  11.63 +/- 5.10   4.954% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HA    ALA   91 - HB2   PRO   52  14.92 +/- 5.14   5.073% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T HA    PRO   52 - HG2   MET   96  20.58 +/- 2.27   0.199% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   PRO   52  16.91 +/- 3.97   0.939% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   8.90 +/- 1.22   2.446% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  14.67 +/- 3.54   0.663% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  23.73 +/- 3.85   0.143% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.66 +/- 1.20   0.393% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.30 +/- 1.19   0.532% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 0.997, support = 6.46, residual support = 222.7:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  75.737% * 96.7748% (1.00  10.0 10.00   6.48 223.47) =  99.626%  kept
          HG12  ILE  103 - HG2   MET   96   4.75 +/- 2.22  13.249% *  2.0579% (0.26   1.0  1.00   1.61   6.31) =   0.371%  kept
          HG2   ARG+  54 - HB2   PRO   52   7.30 +/- 1.54   1.718% *  0.0363% (0.38   1.0  1.00   0.02   1.91) =   0.001%
          HG2   PRO   93 - HB2   PRO   52  10.98 +/- 4.63   1.525% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HG2   MET   96   6.24 +/- 1.54   2.503% *  0.0117% (0.12   1.0  1.00   0.02   6.31) =   0.000%
          HB    VAL   41 - HG2   MET   96   8.84 +/- 1.77   1.095% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.94 +/- 2.79   0.066% *  0.2843% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   7.44 +/- 1.38   1.524% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  19.23 +/- 5.10   0.146% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  16.28 +/- 3.43   0.241% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  19.96 +/- 4.11   0.079% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  14.62 +/- 1.81   0.161% *  0.0439% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  21.76 +/- 4.76   0.104% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  23.39 +/- 3.72   0.042% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  18.78 +/- 4.91   0.159% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.17 +/- 1.24   0.670% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.53 +/- 2.90   0.038% *  0.0740% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.36 +/- 2.16   0.145% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  20.72 +/- 3.63   0.061% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  20.05 +/- 2.68   0.058% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.68 +/- 0.93   0.169% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  24.82 +/- 3.62   0.035% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  17.17 +/- 2.26   0.097% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  13.85 +/- 1.25   0.166% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  16.49 +/- 2.51   0.108% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  27.13 +/- 3.12   0.024% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.19 +/- 2.63   0.051% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  25.73 +/- 3.21   0.029% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.5:
    * O T HG2   PRO   52 - HB2   PRO   52   2.66 +/- 0.32  89.478% * 99.2053% (1.00  10.0 10.00   6.19 223.47) =  99.994%  kept
          HG2   MET   92 - HB2   PRO   52  12.43 +/- 5.19   3.439% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HB2   PRO   52  12.22 +/- 3.49   1.588% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   MET   96  19.29 +/- 3.18   0.279% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB2   PRO   52  20.18 +/- 4.84   0.405% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.06 +/- 1.66   1.234% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  14.77 +/- 2.63   1.022% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  14.10 +/- 1.09   0.681% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.18 +/- 1.11   0.543% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.59 +/- 5.63   0.088% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  21.23 +/- 3.47   0.257% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  21.38 +/- 2.21   0.220% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  18.83 +/- 3.99   0.721% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.60 +/- 3.23   0.044% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.4:
    * O T HG3   PRO   52 - HB2   PRO   52   2.54 +/- 0.26  87.314% * 98.0617% (1.00  10.0 10.00   6.16 223.47) =  99.984%  kept
        T HG2   PRO   58 - HB2   PRO   52  12.81 +/- 1.58   0.929% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.011%
          HB2   PRO   93 - HB2   PRO   52  10.86 +/- 4.17   7.883% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   PRO   58 - HG2   MET   96  18.62 +/- 3.35   0.322% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   52 - HG2   MET   96  20.54 +/- 3.33   0.294% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HB2   PRO   52  22.74 +/- 4.70   0.212% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.47 +/- 0.86   0.865% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  28.80 +/- 4.04   0.078% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  33.08 +/- 6.18   0.058% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.15 +/- 5.58   0.317% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  24.37 +/- 4.33   0.150% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  17.89 +/- 2.12   0.322% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  29.49 +/- 6.58   0.106% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.47 +/- 3.19   0.503% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.88 +/- 3.61   0.549% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.42 +/- 3.08   0.098% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 223.4:
    * O T HD2   PRO   52 - HB2   PRO   52   3.96 +/- 0.09  73.024% * 99.0230% (1.00  10.0 10.00   6.61 223.47) =  99.987%  kept
          HA    SER   48 - HB2   PRO   52  11.64 +/- 1.68   3.675% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HD2   PRO   52 - HG2   MET   96  19.86 +/- 2.25   0.681% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          HA    ALA   88 - HG2   MET   96  11.76 +/- 1.75   3.372% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   PRO   52  21.88 +/- 4.01   0.610% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB2   PRO   52  19.03 +/- 2.33   0.823% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HG2   MET   96  16.01 +/- 3.60   1.509% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   MET   96  12.61 +/- 1.76   2.629% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   MET   96  17.01 +/- 3.13   2.051% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  21.69 +/- 3.72   0.596% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  18.85 +/- 4.03   1.260% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  17.63 +/- 2.40   1.101% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  25.99 +/- 4.15   0.407% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  14.57 +/- 2.00   1.851% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  20.90 +/- 3.08   0.648% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.35 +/- 3.19   0.182% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  25.23 +/- 4.48   0.392% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  16.62 +/- 4.05   1.439% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  21.84 +/- 4.17   0.565% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  17.64 +/- 3.70   1.082% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.60 +/- 3.87   0.210% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.63 +/- 3.02   0.889% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  18.56 +/- 2.68   0.838% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.49 +/- 3.28   0.164% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.5:
    * O T HA    PRO   52 - HB3   PRO   52   2.56 +/- 0.21  87.425% * 99.6990% (1.00  10.0 10.00   6.19 223.47) =  99.996%  kept
          HA    LYS+ 111 - HB3   PRO   52  11.09 +/- 4.44   3.516% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - HB3   PRO   52  14.52 +/- 4.73   3.163% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   52 - QB    LYS+  81  20.41 +/- 3.47   0.228% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.20 +/- 2.23   3.792% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  16.56 +/- 3.09   0.536% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.84 +/- 3.49   0.159% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  14.05 +/- 4.20   0.714% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  20.23 +/- 2.75   0.226% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  19.04 +/- 1.57   0.240% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 223.5:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.318% * 99.4073% (1.00  10.0 10.00   6.48 223.47) =  99.999%  kept
        T HG2   MET   96 - HB3   PRO   52  19.94 +/- 2.79   0.087% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  15.43 +/- 2.67   0.220% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  19.96 +/- 4.11   0.103% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  14.62 +/- 1.81   0.211% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  21.57 +/- 2.34   0.061% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 223.5:
    * O T HG2   PRO   52 - HB3   PRO   52   2.59 +/- 0.32  80.737% * 99.4355% (1.00  10.0 10.00   6.22 223.47) =  99.991%  kept
          HG2   MET   92 - HB3   PRO   52  12.10 +/- 5.02   6.449% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QG    GLU- 114 - HB3   PRO   52  11.85 +/- 2.73   2.199% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  79 - QB    LYS+  81   6.67 +/- 0.67   5.956% *  0.0091% (0.09   1.0  1.00   0.02   1.39) =   0.001%
        T HG2   PRO   52 - QB    LYS+  81  18.39 +/- 3.96   0.449% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HB3   PRO   52  20.33 +/- 4.62   0.335% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  12.07 +/- 3.30   1.748% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.65 +/- 5.40   0.104% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  14.04 +/- 1.50   0.608% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  14.51 +/- 5.06   0.790% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.73 +/- 2.92   0.042% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.17 +/- 1.94   0.134% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  18.70 +/- 1.45   0.248% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  24.10 +/- 3.86   0.200% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.4:
    * O T HG3   PRO   52 - HB3   PRO   52   2.58 +/- 0.25  88.692% * 98.1909% (1.00  10.0 10.00   6.19 223.47) =  99.978%  kept
        T HG2   PRO   58 - HB3   PRO   52  12.69 +/- 1.78   1.052% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.012%
        T HB2   PRO   93 - HB3   PRO   52  10.68 +/- 3.33   2.705% *  0.3031% (0.31   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   PRO   52 - QB    LYS+  81  19.12 +/- 4.15   0.328% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  23.34 +/- 2.08   0.141% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  23.09 +/- 4.59   0.294% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  29.12 +/- 4.00   0.087% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   9.55 +/- 5.23   4.526% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  33.45 +/- 6.25   0.068% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.20 +/- 5.35   0.215% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.56 +/- 1.70   0.681% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  27.79 +/- 7.38   0.164% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.66 +/- 4.89   0.143% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.45 +/- 2.60   0.080% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  16.21 +/- 4.35   0.667% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  23.84 +/- 3.42   0.158% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.997, support = 6.66, residual support = 222.7:
    * O T HD2   PRO   52 - HB3   PRO   52   3.93 +/- 0.09  45.134% * 97.2468% (1.00  10.0 10.00   6.67 223.47) =  99.642%  kept
          HB2   SER   82 - QB    LYS+  81   5.40 +/- 0.63  19.938% *  0.7482% (0.04   1.0  1.00   3.93  13.06) =   0.339%  kept
          HA    SER   48 - HB3   PRO   52  11.53 +/- 1.67   2.489% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - QB    LYS+  81  18.59 +/- 5.00   1.457% *  0.1055% (0.11   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HB3   PRO   52  30.37 +/- 2.66   0.108% *  0.9199% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.50 +/- 0.48  17.733% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - QB    LYS+  81  18.12 +/- 3.41   0.644% *  0.1116% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   88 - QB    LYS+  81   8.92 +/- 0.89   4.404% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB3   PRO   52  21.58 +/- 3.64   0.401% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PRO   52  29.65 +/- 3.43   0.125% *  0.2425% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - QB    LYS+  81  16.90 +/- 4.76   0.950% *  0.0278% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HB3   PRO   52  19.26 +/- 2.78   0.477% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB3   PRO   52  21.52 +/- 3.48   0.387% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  18.61 +/- 4.27   0.883% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  13.32 +/- 3.23   2.050% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.59 +/- 2.88   0.098% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  21.11 +/- 3.25   0.406% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  26.33 +/- 4.22   0.221% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  20.83 +/- 4.07   0.535% *  0.0172% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  25.21 +/- 4.27   0.250% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  19.58 +/- 2.96   0.477% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.21 +/- 4.57   0.469% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.08 +/- 4.48   0.212% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  26.68 +/- 2.01   0.151% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.49 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.4:
    * O T HA    PRO   52 - HG2   PRO   52   3.97 +/- 0.02  71.535% * 99.8323% (1.00  10.0 10.00   5.98 223.47) =  99.980%  kept
          HA    LYS+ 111 - HG2   PRO   52  11.46 +/- 4.53  16.579% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          HA    ALA   91 - HG2   PRO   52  13.41 +/- 4.48   9.185% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL  107 - HG2   PRO   52  16.60 +/- 3.40   2.225% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HG2   PRO   52  22.84 +/- 3.87   0.476% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.5:
    * O T HB2   PRO   52 - HG2   PRO   52   2.66 +/- 0.32  98.698% * 99.5699% (1.00  10.0 10.00   6.19 223.47) =  99.998%  kept
        T HG2   MET   96 - HG2   PRO   52  19.29 +/- 3.18   0.308% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG2   PRO   52  15.62 +/- 2.71   0.993% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 223.5:
    * O T HB3   PRO   52 - HG2   PRO   52   2.59 +/- 0.32  86.381% * 99.2796% (1.00  10.0 10.00   6.22 223.47) =  99.993%  kept
          HG2   PRO   93 - HG2   PRO   52  10.17 +/- 3.70   6.097% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG2   PRO   52   7.95 +/- 1.10   3.462% *  0.0373% (0.38   1.0  1.00   0.02   1.91) =   0.002%
        T QB    LYS+  81 - HG2   PRO   52  18.39 +/- 3.96   0.492% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HG2   PRO   52  19.69 +/- 5.53   0.677% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG2   PRO   52  16.49 +/- 3.61   0.664% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.68 +/- 3.37   0.218% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  17.17 +/- 4.39   0.851% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.88 +/- 2.68   0.193% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  22.01 +/- 4.49   0.233% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.41 +/- 3.16   0.283% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  24.12 +/- 3.25   0.185% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.55 +/- 3.05   0.119% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  25.18 +/- 2.92   0.144% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 223.5:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  97.810% * 98.7160% (1.00  10.0 10.00   5.97 223.47) =  99.997%  kept
        T HG2   PRO   58 - HG2   PRO   52  13.57 +/- 1.47   0.234% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HG2   PRO   52   9.95 +/- 3.41   1.677% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HG2   PRO   52  22.97 +/- 4.39   0.075% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  28.67 +/- 3.80   0.027% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  32.88 +/- 6.36   0.023% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.88 +/- 5.64   0.122% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.66 +/- 3.09   0.032% *  0.0195% (0.20   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.5:
    * O T HD2   PRO   52 - HG2   PRO   52   2.33 +/- 0.12  96.015% * 99.4673% (1.00  10.0 10.00   6.44 223.47) =  99.998%  kept
          HA    SER   48 - HG2   PRO   52   9.66 +/- 1.79   2.258% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HG2   PRO   52  20.31 +/- 3.68   0.210% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  18.84 +/- 2.93   0.247% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  20.19 +/- 3.50   0.205% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  19.28 +/- 4.37   0.424% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.56 +/- 3.19   0.064% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  20.67 +/- 3.22   0.211% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  26.15 +/- 3.98   0.096% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  23.65 +/- 4.40   0.135% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.67 +/- 3.96   0.079% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  30.85 +/- 3.21   0.057% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 5.95, residual support = 223.4:
    * O T HA    PRO   52 - HG3   PRO   52   3.88 +/- 0.02  68.542% * 98.8988% (1.00  10.0 10.00   5.95 223.47) =  99.948%  kept
        T HA    PRO   52 - HG2   PRO   58  11.88 +/- 1.39   2.807% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.033%
          HA    LYS+ 111 - HG3   PRO   52  12.24 +/- 4.89  12.045% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.011%
          HA    ALA   91 - HG3   PRO   52  14.12 +/- 4.92   9.712% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HG2   PRO   58  14.10 +/- 1.65   1.719% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG3   PRO   52  17.77 +/- 3.72   1.801% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   58  15.16 +/- 2.78   1.846% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  23.96 +/- 4.00   0.447% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  21.52 +/- 2.67   0.511% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  20.33 +/- 2.87   0.570% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.18 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.4:
    * O T HB2   PRO   52 - HG3   PRO   52   2.54 +/- 0.26  90.681% * 98.4337% (1.00  10.0 10.00   6.16 223.47) =  99.985%  kept
        T HB2   PRO   52 - HG2   PRO   58  12.81 +/- 1.58   0.967% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.009%
          HB2   ASP-  62 - HG2   PRO   58   6.63 +/- 1.16   7.296% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.004%
        T HG2   MET   96 - HG3   PRO   52  20.54 +/- 3.33   0.308% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   96 - HG2   PRO   58  18.62 +/- 3.35   0.335% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  62 - HG3   PRO   52  16.83 +/- 2.68   0.413% *  0.0557% (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 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 223.4:
    * O T HB3   PRO   52 - HG3   PRO   52   2.58 +/- 0.25  77.492% * 97.4419% (1.00  10.0 10.00   6.19 223.47) =  99.966%  kept
        T HG2   PRO   93 - HG3   PRO   52  11.16 +/- 4.03   2.452% *  0.3008% (0.31   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   PRO   52 - HG2   PRO   58  12.69 +/- 1.78   0.918% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   PRO   93 - HG2   PRO   58  14.27 +/- 3.72   1.172% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU  123 - HG2   PRO   58  10.97 +/- 2.60   2.230% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HG3   PRO   52   8.34 +/- 1.16   3.337% *  0.0366% (0.38   1.0  1.00   0.02   1.91) =   0.002%
          QB    LYS+  66 - HG2   PRO   58  10.63 +/- 2.42   2.479% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   PRO   58  16.17 +/- 4.66   2.361% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HG3   PRO   52  20.82 +/- 5.54   0.634% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.27 +/- 1.68   1.977% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG3   PRO   52  17.41 +/- 3.93   0.940% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG3   PRO   52  19.12 +/- 4.15   0.287% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG2   PRO   58  20.72 +/- 4.39   0.460% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  15.86 +/- 3.37   0.682% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.34 +/- 2.08   0.123% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  23.07 +/- 4.94   0.324% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  20.19 +/- 2.02   0.206% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  23.93 +/- 3.54   0.113% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.12 +/- 4.05   0.304% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  17.92 +/- 4.84   0.458% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  24.12 +/- 2.89   0.107% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.72 +/- 3.33   0.152% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  25.36 +/- 3.46   0.093% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.52 +/- 4.10   0.300% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.75 +/- 2.35   0.112% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  23.38 +/- 3.08   0.136% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.54 +/- 3.23   0.072% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  26.28 +/- 3.06   0.080% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.967, support = 5.91, residual support = 220.6:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  74.212% * 86.8129% (1.00  10.0 10.00   5.97 223.47) =  96.224%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.70 +/- 0.32  23.291% * 10.8440% (0.12  10.0 10.00   4.25 147.17) =   3.772%  kept
        T HG2   PRO   52 - HG2   PRO   58  13.57 +/- 1.47   0.177% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HG2   MET   92 - HG3   PRO   52  11.82 +/- 4.82   1.115% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HG3   PRO   52  13.20 +/- 3.20   0.372% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  11.36 +/- 1.77   0.379% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.75 +/- 1.23   0.112% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  19.73 +/- 4.78   0.106% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  30.19 +/- 2.82   0.016% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.21 +/- 3.29   0.010% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  18.22 +/- 3.85   0.107% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  22.16 +/- 3.43   0.048% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.33 +/- 5.99   0.029% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  29.00 +/- 4.10   0.027% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 223.4:
    * O T HD2   PRO   52 - HG3   PRO   52   2.84 +/- 0.12  87.527% * 96.1754% (1.00  10.0 10.00   6.44 223.47) =  99.984%  kept
        T HD2   PRO   52 - HG2   PRO   58  13.67 +/- 1.30   0.851% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.008%
          HA    SER   48 - HG3   PRO   52  10.42 +/- 1.79   2.757% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   PRO   58  27.00 +/- 2.69   0.117% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   PRO   52  30.75 +/- 3.35   0.076% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   PRO   58  10.78 +/- 2.43   3.381% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HG2   PRO   58  13.30 +/- 1.34   0.948% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  21.25 +/- 3.91   0.311% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  16.96 +/- 2.14   0.486% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  27.01 +/- 2.55   0.118% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  29.78 +/- 4.13   0.090% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  19.96 +/- 3.07   0.351% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  20.20 +/- 3.12   0.457% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  21.01 +/- 3.68   0.310% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  27.57 +/- 2.47   0.106% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  16.34 +/- 2.01   0.543% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  25.02 +/- 3.34   0.157% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.99 +/- 3.39   0.067% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  20.45 +/- 4.36   0.504% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  27.10 +/- 4.38   0.146% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  21.75 +/- 3.42   0.243% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  24.67 +/- 4.48   0.198% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  24.58 +/- 2.33   0.150% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.30 +/- 2.23   0.108% *  0.0266% (0.28   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 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 = 44.5:
    * O T HB2   CYS   53 - HA    CYS   53   2.90 +/- 0.15  84.097% * 89.5552% (1.00  10.0 10.00   2.96  44.36) =  98.841%  kept
          HD3   PRO   52 - HA    CYS   53   6.22 +/- 0.04   8.725% * 10.0751% (0.69   1.0  1.00   3.28  55.67) =   1.154%  kept
          HD2   PRO   58 - HA    CYS   53   7.66 +/- 1.49   6.111% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   SER   82 - HA    CYS   53  23.04 +/- 3.86   0.283% *  0.1772% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HA    CYS   53  20.98 +/- 3.61   0.483% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.25 +/- 2.53   0.173% *  0.0684% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.74 +/- 2.48   0.128% *  0.0368% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.37, residual support = 43.7:
    * O T HB3   CYS   53 - HA    CYS   53   2.53 +/- 0.20  70.664% * 79.4220% (1.00  10.0 10.00   3.39  44.36) =  97.895%  kept
          QB    PHE   55 - HA    CYS   53   4.30 +/- 0.50  16.539% *  4.1167% (0.87   1.0  1.00   1.20   0.02) =   1.188%  kept
          HD2   ARG+  54 - HA    CYS   53   7.34 +/- 0.58   3.198% * 16.2647% (0.99   1.0  1.00   4.13  31.86) =   0.907%  kept
          HD3   PRO   93 - HA    CYS   53   9.67 +/- 3.86   5.140% *  0.0751% (0.95   1.0  1.00   0.02   0.02) =   0.007%
          HB2   PHE   59 - HA    CYS   53   8.19 +/- 1.94   4.163% *  0.0482% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HD3   PRO   68 - HA    CYS   53  17.80 +/- 3.22   0.296% *  0.0733% (0.92   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 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.4:
    * O T HA    CYS   53 - HB2   CYS   53   2.90 +/- 0.15  97.196% * 98.9901% (1.00  10.0 10.00   2.96  44.36) =  99.996%  kept
        T HA    GLU-  25 - HB2   CYS   53  23.82 +/- 4.45   0.392% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA    ILE   19 - HB2   CYS   53  18.69 +/- 3.55   0.784% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HB2   CYS   53  21.94 +/- 3.35   0.319% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   CYS   53  14.39 +/- 2.33   1.025% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  23.74 +/- 3.81   0.283% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.46, residual support = 44.3:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  93.133% * 79.1843% (1.00  10.0 10.00   3.46  44.36) =  99.516%  kept
          HD2   ARG+  54 - HB2   CYS   53   6.97 +/- 0.67   1.631% * 17.3907% (0.99   1.0  1.00   4.43  31.86) =   0.383%  kept
          QB    PHE   55 - HB2   CYS   53   6.11 +/- 0.33   2.266% *  3.2290% (0.87   1.0  1.00   0.94   0.02) =   0.099%
          HD3   PRO   93 - HB2   CYS   53   9.68 +/- 3.02   1.497% *  0.0749% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   CYS   53   9.56 +/- 2.23   1.300% *  0.0480% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HB2   CYS   53  18.11 +/- 3.83   0.172% *  0.0731% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.39, residual support = 44.4:
    * O T HA    CYS   53 - HB3   CYS   53   2.53 +/- 0.20  98.149% * 99.7562% (1.00  10.0 10.00   3.39  44.36) =  99.999%  kept
          HA    ILE   19 - HB3   CYS   53  18.87 +/- 3.78   0.417% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  13.89 +/- 2.53   0.806% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  23.80 +/- 4.42   0.213% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  23.80 +/- 3.87   0.168% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  21.60 +/- 3.23   0.247% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.47, residual support = 44.4:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  95.912% * 86.5640% (1.00  10.0 10.00   3.46  44.36) =  99.567%  kept
          HD3   PRO   52 - HB3   CYS   53   6.00 +/- 0.73   2.727% * 13.2327% (0.69   1.0  1.00   4.45  55.67) =   0.433%  kept
          HD2   PRO   58 - HB3   CYS   53   8.88 +/- 1.82   1.042% *  0.0455% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HB3   CYS   53  20.08 +/- 3.47   0.163% *  0.0388% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.80 +/- 2.65   0.046% *  0.0662% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  21.92 +/- 3.65   0.080% *  0.0171% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.88 +/- 2.49   0.030% *  0.0356% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 169.9:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.76 +/- 0.21  81.195% * 98.6035% (1.00  10.0 10.00   5.70 169.89) =  99.988%  kept
          HB2   PRO   93 - HA    ARG+  54  11.00 +/- 2.61   2.302% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   ARG+  54 - HA    LEU  115  14.45 +/- 1.34   0.611% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    LEU  115   6.94 +/- 0.99   6.590% *  0.0263% (0.27   1.0  1.00   0.02   6.90) =   0.002%
          HB    ILE  119 - HA    ARG+  54  13.22 +/- 2.05   0.956% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    LEU  115   9.34 +/- 1.47   2.804% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   9.89 +/- 2.26   2.411% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ARG+  54  18.95 +/- 2.26   0.335% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  24.75 +/- 4.55   0.201% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  29.07 +/- 5.42   0.106% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  21.79 +/- 2.92   0.209% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  18.81 +/- 5.37   0.715% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  22.38 +/- 3.06   0.192% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  28.65 +/- 4.65   0.097% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.20 +/- 2.40   0.227% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  26.73 +/- 3.54   0.122% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.98 +/- 2.13   0.188% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  31.93 +/- 4.44   0.070% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.37 +/- 2.99   0.214% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.03 +/- 2.35   0.456% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.12 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 0.993, support = 5.63, residual support = 168.1:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.94 +/- 0.66  60.827% * 86.8061% (1.00  10.0 10.00   5.69 169.89) =  98.943%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.64 +/- 0.37   4.916% *  8.9760% (0.38   1.0 10.00   0.55   1.91) =   0.827%  kept
          HB    ILE   56 - HA    ARG+  54   6.66 +/- 0.65   8.074% *  1.0824% (0.41   1.0  1.00   0.61   0.02) =   0.164%  kept
        T HG3   PRO   68 - HA    ARG+  54  18.25 +/- 5.90   2.533% *  0.8604% (0.99   1.0 10.00   0.02   0.02) =   0.041%
        T QB    LYS+  81 - HA    ARG+  54  19.88 +/- 3.26   0.412% *  0.7530% (0.87   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   ARG+  54 - HA    LEU  115  14.78 +/- 1.64   0.809% *  0.2671% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   PRO   68 - HA    LEU  115  15.86 +/- 2.92   0.654% *  0.2647% (0.30   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   52 - HA    LEU  115  13.37 +/- 2.55   1.172% *  0.1002% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  115   9.84 +/- 2.64   3.351% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    LEU  115   9.19 +/- 2.06   3.758% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HA    LEU  115  20.36 +/- 1.52   0.273% *  0.2317% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    LEU  115   8.41 +/- 1.22   5.501% *  0.0110% (0.13   1.0  1.00   0.02   0.12) =   0.001%
          HB3   ASP- 105 - HA    ARG+  54  19.42 +/- 3.05   0.495% *  0.0866% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    ARG+  54  19.98 +/- 3.65   0.488% *  0.0801% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ARG+  54  17.54 +/- 2.25   0.504% *  0.0725% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    ARG+  54  16.96 +/- 3.32   0.875% *  0.0326% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    ARG+  54  23.68 +/- 3.51   0.243% *  0.0866% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.71 +/- 2.35   0.644% *  0.0267% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.88 +/- 1.45   1.623% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.32 +/- 2.81   0.180% *  0.0838% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.73 +/- 1.71   0.460% *  0.0247% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.04 +/- 4.04   0.374% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.94 +/- 2.74   0.187% *  0.0258% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  28.16 +/- 4.57   0.164% *  0.0241% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.73 +/- 2.78   0.814% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  21.79 +/- 2.90   0.270% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.48 +/- 2.50   0.160% *  0.0074% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.05 +/- 2.49   0.239% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.23 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.983, support = 5.39, residual support = 143.6:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.20 +/- 0.74  29.231% * 72.3412% (1.00 10.00   5.65 169.89) =  82.589%  kept
          HB3   CYS   53 - HA    ARG+  54   5.25 +/- 0.45  15.997% * 14.8566% (0.99  1.00   4.14  31.86) =   9.282%  kept
          QB    PHE   55 - HA    ARG+  54   5.09 +/- 0.16  16.775% * 12.3231% (0.80  1.00   4.25   4.18) =   8.074%  kept
          HD3   PRO   93 - HA    ARG+  54  11.82 +/- 3.87   8.053% *  0.0649% (0.90  1.00   0.02   0.02) =   0.020%
          HB2   PHE   59 - HA    ARG+  54   8.37 +/- 1.94   9.211% *  0.0381% (0.53  1.00   0.02   0.02) =   0.014%
          HD3   PRO   68 - HA    ARG+  54  17.08 +/- 5.17   2.277% *  0.0628% (0.87  1.00   0.02   0.02) =   0.006%
        T HD2   ARG+  54 - HA    LEU  115  15.67 +/- 1.53   0.621% *  0.2226% (0.31 10.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    LEU  115   6.78 +/- 1.29  10.309% *  0.0117% (0.16  1.00   0.02  29.11) =   0.005%
          HB3   CYS   53 - HA    LEU  115  11.91 +/- 2.83   2.629% *  0.0221% (0.30  1.00   0.02   0.02) =   0.002%
          QB    PHE   55 - HA    LEU  115  10.60 +/- 1.69   2.567% *  0.0178% (0.25  1.00   0.02   3.66) =   0.002%
          HD3   PRO   93 - HA    LEU  115  12.03 +/- 1.26   1.509% *  0.0200% (0.28  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    LEU  115  14.75 +/- 2.66   0.821% *  0.0193% (0.27  1.00   0.02   0.02) =   0.001%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 169.9:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.76 +/- 0.21  89.559% * 98.5625% (1.00  10.0 10.00   5.70 169.89) =  99.993%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.45 +/- 1.34   0.674% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.005%
        T HA    ARG+  54 - HB2   GLU-  14  24.75 +/- 4.55   0.223% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  21.02 +/- 3.62   0.317% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  24.38 +/- 3.58   0.174% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  16.71 +/- 5.41   1.904% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  26.73 +/- 3.54   0.135% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.89 +/- 4.18   1.802% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  24.67 +/- 3.65   0.177% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  29.07 +/- 5.42   0.116% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  15.80 +/- 1.48   0.566% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.00 +/- 3.96   1.011% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  26.76 +/- 3.90   0.117% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  21.55 +/- 6.18   0.733% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  31.93 +/- 4.44   0.077% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  32.78 +/- 4.27   0.062% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  18.56 +/- 5.52   0.737% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  29.61 +/- 4.86   0.094% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.54 +/- 6.33   0.512% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  27.80 +/- 6.06   0.158% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.89 +/- 5.10   0.139% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  30.64 +/- 7.93   0.148% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  32.32 +/- 6.40   0.091% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  23.84 +/- 5.33   0.206% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.69 +/- 6.99   0.118% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  30.09 +/- 3.93   0.094% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  35.07 +/- 4.41   0.056% *  0.0017% (0.02   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 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 = 4.97, residual support = 160.9:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.83 +/- 0.66  63.574% * 74.1000% (1.00  10.0 10.00   5.06 169.89) =  94.078%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.12 +/- 0.64  11.037% * 13.6743% (0.99   1.0  1.00   3.72  31.86) =   3.014%  kept
          QB    PHE   55 - HB2   ARG+  54   5.04 +/- 0.50  13.709% * 10.3383% (0.80   1.0  1.00   3.48   4.18) =   2.830%  kept
        T HD3   PRO   68 - HB2   ARG+  54  18.61 +/- 6.25   3.548% *  0.6428% (0.87   1.0 10.00   0.02   0.02) =   0.046%
        T HD3   PRO   93 - HB2   ARG+  54  12.21 +/- 3.33   1.878% *  0.6646% (0.90   1.0 10.00   0.02   0.02) =   0.025%
          HB2   PHE   59 - HB2   ARG+  54  10.51 +/- 1.76   2.549% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HG2   MET   11  21.46 +/- 5.70   1.374% *  0.0621% (0.08   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB2   GLU-  14  16.31 +/- 3.02   0.886% *  0.0945% (0.13   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HB2   GLU-  14  26.70 +/- 5.67   0.156% *  0.1090% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  30.69 +/- 6.40   0.177% *  0.0716% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  33.18 +/- 6.33   0.163% *  0.0643% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.93 +/- 4.18   0.091% *  0.0977% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  24.25 +/- 3.62   0.145% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  25.86 +/- 3.64   0.110% *  0.0108% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  30.17 +/- 5.73   0.153% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  28.24 +/- 5.18   0.160% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  23.11 +/- 3.26   0.155% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  28.08 +/- 4.09   0.131% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 169.9:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.20 +/- 0.74  91.177% * 99.0328% (1.00 10.00   5.65 169.89) =  99.981%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.67 +/- 1.53   2.264% *  0.6007% (0.61 10.00   0.02   0.02) =   0.015%
          HA    LYS+  81 - HD2   ARG+  54  22.41 +/- 4.39   1.658% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HD2   ARG+  54  24.72 +/- 4.17   0.884% *  0.0971% (0.98  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HD2   ARG+  54  25.87 +/- 4.40   0.936% *  0.0641% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HD2   ARG+  54  16.88 +/- 2.10   1.854% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  27.73 +/- 4.18   0.515% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  33.69 +/- 4.63   0.279% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  30.77 +/- 5.10   0.434% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.09 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 169.9:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.83 +/- 0.66  90.667% * 97.9068% (1.00  10.0 10.00   5.06 169.89) =  99.979%  kept
        T HB2   PRO   93 - HD2   ARG+  54  13.40 +/- 2.49   1.578% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.015%
        T HG3   GLN   30 - HD2   ARG+  54  24.89 +/- 3.96   0.234% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD2   ARG+  54  20.68 +/- 7.07   4.974% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD2   ARG+  54  15.89 +/- 2.66   1.216% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HD2   ARG+  54  30.69 +/- 6.40   0.271% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD2   ARG+  54  26.70 +/- 5.67   0.228% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  21.34 +/- 2.15   0.351% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  24.33 +/- 3.85   0.270% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  31.43 +/- 4.95   0.209% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 4.87, residual support = 168.9:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.63 +/- 0.26  88.850% * 88.6445% (1.00  10.0 10.00   4.90 169.89) =  99.399%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.00 +/- 1.62   4.956% *  9.1661% (0.38   1.0 10.00   0.55   1.91) =   0.573%  kept
        T HG3   PRO   68 - HD2   ARG+  54  20.20 +/- 7.45   1.957% *  0.8786% (0.99   1.0 10.00   0.02   0.02) =   0.022%
        T QB    LYS+  81 - HD2   ARG+  54  21.39 +/- 4.22   0.405% *  0.7689% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   56 - HD2   ARG+  54   9.66 +/- 1.24   2.115% *  0.0364% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD2   ARG+  54  21.60 +/- 4.01   0.294% *  0.0818% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  20.02 +/- 1.83   0.221% *  0.0740% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.39 +/- 2.73   0.162% *  0.0884% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  19.22 +/- 3.92   0.378% *  0.0333% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  26.53 +/- 3.55   0.122% *  0.0855% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  26.50 +/- 3.39   0.117% *  0.0884% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  24.36 +/- 3.74   0.204% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  24.93 +/- 3.94   0.147% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  30.80 +/- 5.22   0.072% *  0.0246% (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 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 = 0.996, support = 3.83, residual support = 21.0:
    * O T QB    PHE   55 - HA    PHE   55   2.40 +/- 0.12  77.940% * 87.4030% (1.00  10.0 10.00   3.84  21.40) =  97.803%  kept
          HD2   ARG+  54 - HA    PHE   55   5.47 +/- 1.20  12.727% * 11.9715% (0.80   1.0  1.00   3.42   4.18) =   2.187%  kept
          HD3   PRO   93 - HA    PHE   55  13.43 +/- 4.59   2.623% *  0.0857% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HA    PHE   55   8.01 +/- 0.30   2.195% *  0.0758% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PHE   55   8.82 +/- 1.14   1.820% *  0.0784% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QB    PHE   55 - HA    VAL   42  17.20 +/- 1.11   0.231% *  0.2057% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   55  18.38 +/- 4.40   0.438% *  0.0866% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    VAL   42  11.57 +/- 1.70   0.915% *  0.0204% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  13.87 +/- 1.46   0.453% *  0.0184% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  16.16 +/- 0.93   0.272% *  0.0202% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  17.18 +/- 1.27   0.235% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.97 +/- 3.09   0.150% *  0.0165% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.84, residual support = 21.4:
    * O T HA    PHE   55 - QB    PHE   55   2.40 +/- 0.12  97.153% * 99.2581% (1.00  10.0 10.00   3.84  21.40) =  99.996%  kept
          HA    ALA  110 - QB    PHE   55  12.39 +/- 4.16   2.102% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL   42 - QB    PHE   55  17.20 +/- 1.11   0.287% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN   90 - QB    PHE   55  17.55 +/- 3.74   0.458% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 0.995, support = 4.41, residual support = 124.1:
    * O T HB    ILE   56 - HA    ILE   56   2.43 +/- 0.17  88.189% * 85.2342% (1.00  10.0 10.00   4.45 125.40) =  98.951%  kept
        T HB3   PRO   58 - HA    ILE   56   7.02 +/- 1.55   5.598% * 14.1891% (0.49   1.0 10.00   0.68   0.02) =   1.046%  kept
          HG2   ARG+  54 - HA    ILE   56   7.26 +/- 0.53   3.616% *  0.0350% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HA    ILE   56  15.29 +/- 4.43   0.826% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    ILE   56  16.35 +/- 1.96   0.326% *  0.0651% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  17.42 +/- 2.95   0.339% *  0.0382% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  17.67 +/- 3.54   0.364% *  0.0291% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  21.51 +/- 3.44   0.174% *  0.0551% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.83 +/- 2.38   0.127% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  22.14 +/- 2.97   0.144% *  0.0619% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  27.36 +/- 3.21   0.075% *  0.0823% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.91 +/- 2.14   0.095% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  22.79 +/- 2.54   0.127% *  0.0320% (0.38   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 125.4:
    * O   QG2   ILE   56 - HA    ILE   56   2.53 +/- 0.33  96.407% * 98.4757% (1.00  10.0  1.00   4.75 125.40) =  99.997%  kept
        T HG3   LYS+  38 - HA    ILE   56  28.46 +/- 3.66   0.088% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    ILE   56  14.81 +/- 2.84   0.976% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    ILE   56  24.13 +/- 4.01   0.193% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  20.01 +/- 1.72   0.227% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.63 +/- 4.19   0.296% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.31 +/- 2.02   0.256% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  15.37 +/- 3.63   0.931% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  20.26 +/- 2.66   0.258% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  19.97 +/- 3.36   0.367% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 125.4:
    * O T QG1   ILE   56 - HA    ILE   56   3.28 +/- 0.33  92.924% * 97.9351% (1.00  10.0 10.00   3.88 125.40) =  99.982%  kept
        T HB3   LYS+  99 - HA    ILE   56  22.35 +/- 3.86   0.715% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T QD    LYS+  99 - HA    ILE   56  20.86 +/- 3.74   0.975% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 106 - HA    ILE   56  17.82 +/- 1.95   0.692% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HB3   MET   92 - HA    ILE   56  13.99 +/- 4.29   2.706% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    ILE   56  17.57 +/- 3.99   1.404% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  19.72 +/- 3.06   0.583% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.22 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.43, residual support = 124.9:
    * O T HA    ILE   56 - HB    ILE   56   2.43 +/- 0.17  84.399% * 94.3084% (1.00  10.0 10.00   4.45 125.40) =  99.594%  kept
          HA    ASP- 113 - HB    ILE   56   7.66 +/- 2.92   8.244% *  2.2323% (0.65   1.0  1.00   0.73   0.02) =   0.230%  kept
        T HA    PRO   58 - HB    ILE   56   6.63 +/- 1.17   5.817% *  2.2657% (0.28   1.0 10.00   0.17   0.02) =   0.165%  kept
        T HA    LEU  123 - HB    ILE   56  14.28 +/- 3.37   0.869% *  0.9244% (0.98   1.0 10.00   0.02   0.02) =   0.010%
          HA    LYS+  99 - HB    ILE   56  21.25 +/- 3.01   0.192% *  0.0892% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.34 +/- 2.34   0.074% *  0.0941% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.21 +/- 2.26   0.175% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  22.50 +/- 2.79   0.153% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  26.92 +/- 3.07   0.077% *  0.0235% (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 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 = 5.6, residual support = 125.4:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  97.671% * 98.4757% (1.00  10.0 10.00   5.60 125.40) =  99.998%  kept
        T HG3   LYS+  38 - HB    ILE   56  27.06 +/- 3.29   0.056% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB    ILE   56  13.83 +/- 2.92   0.581% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.46 +/- 3.70   0.139% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.82 +/- 1.58   0.149% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.95 +/- 3.83   0.213% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.27 +/- 1.87   0.171% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  14.48 +/- 3.41   0.558% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.39 +/- 2.66   0.171% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  18.81 +/- 3.71   0.289% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.64, residual support = 125.4:
    * O T QG1   ILE   56 - HB    ILE   56   2.22 +/- 0.11  96.319% * 98.7886% (1.00  10.0 10.00   4.64 125.40) =  99.996%  kept
        T QD    LYS+  99 - HB    ILE   56  19.34 +/- 3.40   0.305% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 106 - HB    ILE   56  16.09 +/- 1.96   0.287% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HB    ILE   56  12.92 +/- 4.37   1.890% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.62 +/- 3.67   0.248% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.52 +/- 3.88   0.659% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  18.21 +/- 3.19   0.293% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 125.4:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  87.933% * 98.4311% (1.00  10.0 10.00   5.60 125.40) =  99.992%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.43 +/- 1.32   4.570% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - QG2   ILE   56   6.65 +/- 1.08   3.815% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   ILE   56  11.70 +/- 3.55   1.276% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - QG2   ILE   56  22.35 +/- 2.17   0.084% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG2   ILE   56  12.53 +/- 1.65   0.489% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  13.55 +/- 2.33   0.486% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  16.73 +/- 3.26   0.276% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  17.55 +/- 2.95   0.212% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  14.32 +/- 2.78   0.428% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.37 +/- 1.93   0.152% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  17.95 +/- 2.09   0.170% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  20.27 +/- 1.74   0.109% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 125.4:
    * O T QG1   ILE   56 - QG2   ILE   56   2.28 +/- 0.19  93.041% * 98.7886% (1.00  10.0 10.00   4.86 125.40) =  99.993%  kept
        T QD    LYS+ 106 - QG2   ILE   56  13.75 +/- 1.72   0.484% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QG2   ILE   56  16.78 +/- 2.72   0.366% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - QG2   ILE   56  14.17 +/- 3.25   2.743% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QG2   ILE   56  10.60 +/- 3.50   2.473% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QG2   ILE   56  15.20 +/- 3.10   0.596% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.88 +/- 2.86   0.298% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 0.994, support = 3.85, residual support = 124.1:
    * O T HA    ILE   56 - QG1   ILE   56   3.28 +/- 0.33  52.772% * 95.8777% (1.00  10.0 10.00   3.88 125.40) =  98.935%  kept
          HA    PRO   58 - QG1   ILE   56   5.79 +/- 1.01  15.614% *  2.3183% (0.28   1.0  1.00   1.74   0.02) =   0.708%  kept
        T HA    ASP- 113 - QG1   ILE   56   6.40 +/- 2.90  27.903% *  0.6202% (0.65   1.0 10.00   0.02   0.02) =   0.338%  kept
        T HA    LYS+  99 - QG1   ILE   56  17.87 +/- 2.92   0.818% *  0.9070% (0.95   1.0 10.00   0.02   0.02) =   0.015%
          HA    LEU  123 - QG1   ILE   56  12.84 +/- 2.16   1.573% *  0.0940% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - QG1   ILE   56  16.99 +/- 2.26   0.607% *  0.0394% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.55 +/- 2.18   0.203% *  0.0957% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  19.37 +/- 2.34   0.336% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.45 +/- 2.57   0.175% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 125.0:
    * O T HB    ILE   56 - QG1   ILE   56   2.22 +/- 0.11  88.399% * 93.5836% (1.00  10.0 10.00   4.64 125.40) =  99.700%  kept
          HB3   PRO   58 - QG1   ILE   56   6.35 +/- 0.94   4.699% *  5.1395% (0.49   1.0  1.00   2.26   0.02) =   0.291%  kept
        T QB    LYS+ 106 - QG1   ILE   56  12.21 +/- 1.60   0.633% *  0.7152% (0.76   1.0 10.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - QG1   ILE   56   7.46 +/- 1.02   2.699% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QG1   ILE   56  12.12 +/- 3.34   1.303% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QG1   ILE   56  12.95 +/- 2.40   0.673% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  17.34 +/- 2.71   0.273% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  14.22 +/- 2.75   0.503% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  18.21 +/- 2.33   0.200% *  0.0680% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.32 +/- 1.79   0.173% *  0.0782% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.26 +/- 2.64   0.105% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  17.67 +/- 2.24   0.216% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.43 +/- 1.83   0.123% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 125.4:
    * O T QG2   ILE   56 - QG1   ILE   56   2.28 +/- 0.19  94.487% * 98.4757% (1.00  10.0 10.00   4.86 125.40) =  99.996%  kept
        T HG3   LYS+  38 - QG1   ILE   56  23.26 +/- 2.86   0.108% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QG1   ILE   56  11.81 +/- 2.14   0.920% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QG1   ILE   56  19.02 +/- 3.49   0.287% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG1   ILE   56  12.13 +/- 2.94   1.748% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.98 +/- 1.46   0.320% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.51 +/- 1.77   0.353% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.29 +/- 2.85   0.389% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.47 +/- 2.20   0.453% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  15.69 +/- 3.26   0.935% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.929, support = 6.56, residual support = 143.5:
    * O T HA    PRO   58 - HD2   PRO   58   3.89 +/- 0.09  40.483% * 97.5492% (0.95  10.0 10.00   6.70 147.17) =  97.491%  kept
          HA    ILE   56 - HD2   PRO   58   3.81 +/- 1.48  52.635% *  1.9242% (0.26   1.0  1.00   1.42   0.02) =   2.500%  kept
          HA    THR   46 - HD2   PRO   58  12.91 +/- 2.67   1.656% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HD2   PRO   58  14.10 +/- 3.37   2.473% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU   40 - HD2   PRO   58  20.46 +/- 2.97   0.444% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HD2   PRO   58  21.41 +/- 3.15   0.409% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   58  17.24 +/- 2.89   0.740% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HD2   PRO   58  25.60 +/- 2.93   0.175% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  21.79 +/- 4.10   0.689% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  27.24 +/- 3.29   0.136% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.41 +/- 3.11   0.159% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 6.88, residual support = 147.0:
    * O T HB2   PRO   58 - HD2   PRO   58   3.81 +/- 0.22  72.968% * 99.0596% (0.95  10.0 10.00   6.89 147.17) =  99.900%  kept
          HB2   GLN  116 - HD2   PRO   58   8.57 +/- 2.16  17.129% *  0.3816% (0.54   1.0  1.00   0.14   0.02) =   0.090%
          HB3   PHE   97 - HD2   PRO   58  16.62 +/- 4.13   6.351% *  0.0719% (0.69   1.0  1.00   0.02   0.02) =   0.006%
        T HB2   GLU- 100 - HD2   PRO   58  26.06 +/- 4.42   0.456% *  0.4441% (0.42   1.0 10.00   0.02   0.02) =   0.003%
          HG2   PRO   52 - HD2   PRO   58  11.82 +/- 1.49   2.832% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HD2   PRO   58  28.32 +/- 4.29   0.263% *  0.0275% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.65, residual support = 138.0:
    * O T HB3   PRO   58 - HD2   PRO   58   3.97 +/- 0.18  40.627% * 92.2543% (0.79  10.0 10.00   7.02 147.17) =  93.773%  kept
          HB    ILE   56 - HD2   PRO   58   4.09 +/- 1.89  46.950% *  5.2856% (0.79   1.0  1.00   1.15   0.02) =   6.209%  kept
        T HB3   GLN   30 - HD2   PRO   58  21.62 +/- 2.42   0.253% *  1.1045% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HD2   PRO   58   8.30 +/- 1.65   8.844% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LYS+  38 - HD2   PRO   58  25.88 +/- 3.54   0.141% *  1.0448% (0.89   1.0 10.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HD2   PRO   58  16.64 +/- 3.80   0.952% *  0.1066% (0.91   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HD2   PRO   58  16.42 +/- 2.18   0.588% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD2   PRO   58  16.72 +/- 3.92   0.788% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  22.31 +/- 2.44   0.267% *  0.0415% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  22.41 +/- 2.92   0.280% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.62 +/- 2.41   0.178% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  29.15 +/- 4.06   0.133% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.11 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.1:
    * O T HG2   PRO   58 - HD2   PRO   58   2.57 +/- 0.30  95.809% * 98.7160% (0.95  10.0 10.00   6.61 147.17) =  99.987%  kept
        T HG3   PRO   52 - HD2   PRO   58  12.82 +/- 1.62   1.169% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.012%
          HB2   PRO   93 - HD2   PRO   58  12.53 +/- 3.02   1.801% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HD2   PRO   58  23.78 +/- 3.95   0.172% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  17.54 +/- 2.52   0.428% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  28.53 +/- 4.30   0.095% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  22.60 +/- 3.88   0.392% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  24.53 +/- 2.26   0.134% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.23, residual support = 147.1:
    * O T HB2   PRO   58 - HA    PRO   58   2.47 +/- 0.21  94.171% * 96.1422% (1.00  10.0 10.00   6.24 147.17) =  99.936%  kept
        T HB2   GLN  116 - HA    PRO   58  10.57 +/- 1.97   1.506% *  3.7033% (0.57   1.0 10.00   0.14   0.02) =   0.062%
          HB3   PHE   97 - HA    PRO   58  15.41 +/- 4.71   3.322% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU- 100 - HA    PRO   58  24.00 +/- 5.26   0.325% *  0.0431% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  13.94 +/- 1.13   0.568% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  26.48 +/- 3.84   0.108% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.2, residual support = 147.0:
    * O T HB3   PRO   58 - HA    PRO   58   2.56 +/- 0.21  86.099% * 98.4544% (0.84  10.0 10.00   6.20 147.17) =  99.917%  kept
        T HB    ILE   56 - HA    PRO   58   6.63 +/- 1.17   6.916% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.080%
          HG2   ARG+  54 - HA    PRO   58  10.30 +/- 2.03   3.784% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    PRO   58  17.89 +/- 3.59   0.409% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    PRO   58  19.35 +/- 2.31   0.268% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.05 +/- 4.47   1.286% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  16.26 +/- 2.70   0.458% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  23.44 +/- 3.92   0.173% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  21.81 +/- 2.09   0.161% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.29 +/- 2.41   0.193% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  23.02 +/- 2.85   0.134% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  26.56 +/- 4.05   0.119% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.1:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  87.369% * 98.7160% (1.00  10.0 10.00   5.98 147.17) =  99.974%  kept
        T HG3   PRO   52 - HA    PRO   58  15.04 +/- 1.34   1.817% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.021%
          HB2   PRO   93 - HA    PRO   58  13.41 +/- 3.35   5.500% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    PRO   58  20.91 +/- 4.18   1.136% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   58  15.46 +/- 2.28   2.132% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - HA    PRO   58  25.97 +/- 4.29   0.442% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  21.19 +/- 3.50   1.053% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  22.46 +/- 2.42   0.549% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.13 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.69, residual support = 147.1:
    * O T HD2   PRO   58 - HA    PRO   58   3.89 +/- 0.09  91.040% * 98.5403% (0.95  10.0 10.00   6.70 147.17) =  99.980%  kept
        T HA    GLU- 100 - HA    PRO   58  23.45 +/- 4.77   1.243% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.014%
          HB2   CYS   53 - HA    PRO   58  10.53 +/- 1.77   6.530% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HA    PRO   58  22.94 +/- 3.82   0.702% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HA    PRO   58  23.12 +/- 2.30   0.485% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.07 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 147.2:
    * O T HA    PRO   58 - HB2   PRO   58   2.47 +/- 0.21  89.359% * 99.4356% (1.00  10.0 10.00   6.24 147.17) =  99.996%  kept
          HA    ILE   56 - HB2   PRO   58   6.89 +/- 1.43   6.139% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   PRO   58  13.38 +/- 3.11   1.675% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB2   PRO   58  14.68 +/- 2.86   0.645% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  19.99 +/- 3.85   0.366% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  19.77 +/- 3.30   0.319% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  15.87 +/- 3.39   0.543% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.07 +/- 3.78   0.132% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  21.20 +/- 4.94   0.611% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  26.08 +/- 3.25   0.098% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  25.53 +/- 3.48   0.112% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.47, residual support = 147.2:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  95.384% * 98.9371% (0.84  10.0 10.00   4.47 147.17) =  99.996%  kept
          HB    ILE   56 - HB2   PRO   58   6.83 +/- 1.70   2.447% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  81 - HB2   PRO   58  23.17 +/- 1.94   0.044% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.59 +/- 5.25   0.829% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.90 +/- 2.02   0.738% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  18.75 +/- 3.51   0.117% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.86 +/- 3.48   0.201% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  21.09 +/- 2.29   0.064% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  24.88 +/- 3.60   0.046% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.99 +/- 3.27   0.044% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.79 +/- 2.42   0.050% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  27.81 +/- 4.41   0.033% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 147.2:
    * O T HG2   PRO   58 - HB2   PRO   58   2.70 +/- 0.32  96.454% * 98.7160% (1.00  10.0 10.00   4.25 147.17) =  99.992%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.75 +/- 1.23   0.594% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLU-  14 - HB2   PRO   58  22.32 +/- 4.45   0.466% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  16.42 +/- 2.61   0.827% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  14.32 +/- 3.10   0.917% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  27.22 +/- 4.61   0.174% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  22.79 +/- 3.68   0.390% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  23.92 +/- 2.58   0.178% *  0.0195% (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 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.89, residual support = 147.1:
    * O T HD2   PRO   58 - HB2   PRO   58   3.81 +/- 0.22  93.799% * 98.5403% (0.95  10.0 10.00   6.89 147.17) =  99.985%  kept
        T HA    GLU- 100 - HB2   PRO   58  24.86 +/- 4.83   1.018% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.011%
          HB2   CYS   53 - HB2   PRO   58  11.43 +/- 1.63   4.264% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HB2   PRO   58  24.46 +/- 3.59   0.517% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   PRO   58  24.63 +/- 2.54   0.403% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.2, residual support = 147.1:
    * O T HA    PRO   58 - HB3   PRO   58   2.56 +/- 0.21  88.182% * 99.1888% (0.84  10.0 10.00   6.20 147.17) =  99.976%  kept
        T HA    ILE   56 - HB3   PRO   58   7.02 +/- 1.55   6.497% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.020%
          HA    LEU  123 - HB3   PRO   58  12.84 +/- 3.03   1.816% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   PRO   58  19.90 +/- 3.57   0.468% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  14.89 +/- 2.74   0.704% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  15.68 +/- 3.16   0.715% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  19.33 +/- 3.40   0.335% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  23.96 +/- 3.61   0.178% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  20.76 +/- 4.93   0.860% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  25.68 +/- 3.31   0.121% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  25.15 +/- 3.54   0.125% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 147.1:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  95.220% * 99.1367% (0.84  10.0 10.00   4.47 147.17) =  99.972%  kept
        T HB3   PHE   97 - HB3   PRO   58  15.96 +/- 5.24   3.662% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.028%
          HB2   GLN  116 - HB3   PRO   58   9.91 +/- 2.11   0.831% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  24.88 +/- 5.29   0.084% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.93 +/- 1.12   0.162% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  28.06 +/- 4.13   0.041% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.21, residual support = 147.2:
    * O T HG2   PRO   58 - HB3   PRO   58   2.57 +/- 0.32  96.932% * 97.0168% (0.84  10.0 10.00   4.21 147.17) =  99.991%  kept
        T HG3   PRO   52 - HB3   PRO   58  16.00 +/- 1.30   0.478% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   GLU-  14 - HB3   PRO   58  22.21 +/- 4.16   0.235% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HB3   PRO   58  27.13 +/- 4.59   0.105% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HB3   PRO   58  14.42 +/- 2.97   1.247% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  16.15 +/- 2.85   0.638% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  22.79 +/- 3.68   0.217% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  23.71 +/- 2.57   0.147% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.19 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.01, residual support = 147.1:
    * O T HD2   PRO   58 - HB3   PRO   58   3.97 +/- 0.18  93.468% * 98.5403% (0.79  10.0 10.00   7.02 147.17) =  99.985%  kept
        T HA    GLU- 100 - HB3   PRO   58  24.38 +/- 4.79   0.935% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.010%
        T HA    LYS+  38 - HB3   PRO   58  24.03 +/- 3.71   0.600% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB2   CYS   53 - HB3   PRO   58  11.81 +/- 1.62   4.554% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   PRO   58  24.60 +/- 2.43   0.443% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.11 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.96, residual support = 146.7:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  45.287% * 97.9061% (1.00  10.0 10.00   5.98 147.17) =  99.715%  kept
          HA    ILE   56 - HG2   PRO   58   5.12 +/- 2.00  34.479% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.250%  kept
        T HA    PRO   58 - HG3   PRO   52  15.04 +/- 1.34   0.926% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.017%
          HA    THR   46 - HG3   PRO   52  10.35 +/- 2.86   4.733% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - HG2   PRO   58  12.68 +/- 3.00   3.980% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.003%
          HA    THR   46 - HG2   PRO   58  14.28 +/- 2.63   1.221% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG3   PRO   52  10.69 +/- 1.16   2.914% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG3   PRO   52  22.45 +/- 5.93   1.952% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HG2   PRO   58  21.44 +/- 3.29   0.510% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   PRO   58  20.31 +/- 2.84   0.505% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HG2   PRO   58  17.18 +/- 2.77   0.799% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HG2   PRO   58  25.66 +/- 3.39   0.220% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  23.60 +/- 4.15   0.373% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  27.41 +/- 3.91   0.188% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.99 +/- 3.16   0.190% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  21.54 +/- 4.20   0.873% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  31.26 +/- 4.43   0.129% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  27.08 +/- 2.98   0.165% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  26.35 +/- 3.03   0.192% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.14 +/- 3.91   0.091% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  27.02 +/- 3.20   0.174% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.56 +/- 3.34   0.101% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.751, support = 4.74, residual support = 168.9:
    * O T HB2   PRO   58 - HG2   PRO   58   2.70 +/- 0.32  23.108% * 87.8577% (1.00  10.0 10.00   4.25 147.17) =  71.526%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  73.620% * 10.9746% (0.12  10.0 10.00   5.97 223.47) =  28.465%  kept
        T HB2   PRO   58 - HG3   PRO   52  15.75 +/- 1.23   0.111% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG2   PRO   58  16.28 +/- 4.55   1.127% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN  116 - HG2   PRO   58   8.03 +/- 1.91   1.384% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   PRO   52 - HG2   PRO   58  13.57 +/- 1.47   0.175% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HG3   PRO   52  14.05 +/- 3.26   0.311% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  21.73 +/- 3.29   0.052% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  25.79 +/- 4.53   0.043% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  29.00 +/- 4.10   0.026% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  29.33 +/- 5.99   0.028% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.30 +/- 3.27   0.015% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 146.7:
    * O T HB3   PRO   58 - HG2   PRO   58   2.57 +/- 0.32  63.834% * 96.2843% (0.84  10.0 10.00   4.21 147.17) =  99.671%  kept
          HB    ILE   56 - HG2   PRO   58   4.97 +/- 2.28  23.176% *  0.8320% (0.84   1.0  1.00   0.17   0.02) =   0.313%  kept
          HB2   MET   92 - HG3   PRO   52  12.05 +/- 4.50   2.766% *  0.0901% (0.78   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   PRO   58 - HG3   PRO   52  16.00 +/- 1.30   0.307% *  0.7795% (0.68   1.0 10.00   0.02   0.02) =   0.004%
        T QB    LYS+  81 - HG3   PRO   52  19.12 +/- 4.15   0.328% *  0.3502% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   56 - HG3   PRO   52  11.04 +/- 1.16   1.010% *  0.0779% (0.68   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   PRO   58  23.34 +/- 2.08   0.109% *  0.4326% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HG2   PRO   58  17.87 +/- 3.51   0.400% *  0.1112% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   8.34 +/- 1.16   2.772% *  0.0144% (0.12   1.0  1.00   0.02   1.91) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58  10.27 +/- 1.68   1.583% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.17 +/- 4.66   1.371% *  0.0202% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  16.26 +/- 2.80   0.430% *  0.0474% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  17.92 +/- 4.84   0.666% *  0.0288% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  18.38 +/- 3.32   0.414% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  22.00 +/- 2.26   0.113% *  0.1153% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  25.62 +/- 3.24   0.095% *  0.1090% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  29.27 +/- 4.26   0.049% *  0.2019% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  25.19 +/- 3.59   0.087% *  0.0933% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  34.14 +/- 6.55   0.040% *  0.1634% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  23.38 +/- 3.08   0.124% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.06 +/- 3.61   0.040% *  0.0883% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.75 +/- 2.35   0.088% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  21.72 +/- 3.33   0.138% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.54 +/- 3.23   0.062% *  0.0233% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.13 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 = 146.7:
    * O T HD2   PRO   58 - HG2   PRO   58   2.57 +/- 0.30  89.730% * 92.8670% (0.95  10.0 10.00   6.61 147.17) =  99.518%  kept
          HB2   CYS   53 - HG3   PRO   52   6.49 +/- 0.63   6.629% *  5.9481% (0.28   1.0  1.00   4.39  55.67) =   0.471%  kept
        T HD2   PRO   58 - HG3   PRO   52  12.82 +/- 1.62   1.091% *  0.7518% (0.77   1.0 10.00   0.02   0.02) =   0.010%
          HB2   CYS   53 - HG2   PRO   58  10.78 +/- 1.67   1.842% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG3   PRO   52  22.68 +/- 4.31   0.207% *  0.0779% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  25.29 +/- 4.06   0.135% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  24.79 +/- 2.20   0.115% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.44 +/- 3.17   0.065% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  25.23 +/- 3.19   0.117% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.10 +/- 3.57   0.069% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 58.4:
    * O T HB2   PHE   59 - HA    PHE   59   2.74 +/- 0.24  89.633% * 99.6348% (1.00  10.0 10.00   3.30  58.37) =  99.991%  kept
          HD3   PRO   68 - HA    PHE   59  11.08 +/- 2.64   3.293% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          QB    PHE   55 - HA    PHE   59   9.68 +/- 0.64   2.286% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB3   CYS   53 - HA    PHE   59  10.96 +/- 2.20   2.583% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HA    PHE   59  14.55 +/- 3.00   0.932% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  13.01 +/- 2.30   1.273% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.4:
    * O T HB3   PHE   59 - HA    PHE   59   2.85 +/- 0.28  99.277% * 99.9552% (1.00  10.0 10.00   3.98  58.37) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  17.42 +/- 2.93   0.723% *  0.0448% (0.45   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 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 58.4:
    * O T HA    PHE   59 - HB2   PHE   59   2.74 +/- 0.24  93.051% * 99.8386% (1.00  10.0 10.00   3.30  58.37) =  99.996%  kept
          HA    ASP- 113 - HB2   PHE   59   7.83 +/- 1.95   5.923% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          HA    TRP   87 - HB2   PHE   59  20.63 +/- 2.84   0.286% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.68 +/- 2.88   0.582% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.00 +/- 2.27   0.158% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.4:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00  99.817% * 99.9552% (1.00  10.0 10.00   3.44  58.37) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  16.14 +/- 2.76   0.183% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.3:
    * O T HA    PHE   59 - HB3   PHE   59   2.85 +/- 0.28  90.000% * 99.5721% (1.00  10.0 10.00   3.98  58.37) =  99.968%  kept
          HA    ASP- 113 - HB3   PHE   59   7.95 +/- 1.98   8.878% *  0.3233% (0.57   1.0  1.00   0.11   0.02) =   0.032%
          HA    TRP   87 - HB3   PHE   59  20.31 +/- 2.87   0.338% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.37 +/- 2.75   0.599% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.54 +/- 2.36   0.185% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.4:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  95.482% * 99.6348% (1.00  10.0 10.00   3.44  58.37) =  99.997%  kept
          HB3   CYS   53 - HB3   PHE   59   9.19 +/- 2.30   1.921% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HB3   PHE   59   7.77 +/- 0.75   1.205% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HB3   PHE   59  12.37 +/- 2.32   0.409% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  12.99 +/- 3.07   0.418% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.62 +/- 2.22   0.566% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HA    PHE   60   2.71 +/- 0.25  99.406% * 99.9010% (1.00  10.0 10.00   4.00  72.44) =  99.999%  kept
          HB2   TRP   87 - HA    PHE   60  16.67 +/- 2.61   0.594% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HA    PHE   60   2.74 +/- 0.28  96.067% * 99.7797% (1.00  10.0 10.00   4.00  72.44) =  99.998%  kept
          HB2   PHE   97 - HA    PHE   60  12.00 +/- 1.85   1.769% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    PHE   60  14.86 +/- 1.59   0.775% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    PHE   60  14.29 +/- 2.81   1.170% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    PHE   60  22.09 +/- 2.46   0.218% *  0.0249% (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 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB2   PHE   60   2.71 +/- 0.25  93.275% * 99.8400% (1.00  10.0 10.00   4.00  72.44) =  99.998%  kept
          QB    SER  117 - HB2   PHE   60  12.19 +/- 1.50   1.344% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB2   PHE   60  11.98 +/- 2.61   1.967% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.60 +/- 2.07   1.268% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  12.65 +/- 2.48   1.573% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.29 +/- 1.45   0.573% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.040% * 99.7797% (1.00  10.0 10.00   4.00  72.44) =  99.999%  kept
          HB2   PHE   97 - HB2   PHE   60  13.07 +/- 2.76   0.430% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  14.40 +/- 3.11   0.317% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  15.65 +/- 1.73   0.156% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.74 +/- 3.38   0.057% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HA    PHE   60 - HB3   PHE   60   2.74 +/- 0.28  93.302% * 99.8400% (1.00  10.0 10.00   4.00  72.44) =  99.998%  kept
          QB    SER  117 - HB3   PHE   60  12.09 +/- 1.77   1.430% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB3   PHE   60  12.49 +/- 1.80   1.399% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HB3   PHE   60  11.94 +/- 2.71   2.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  12.71 +/- 2.43   1.269% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.34 +/- 1.43   0.598% *  0.0278% (0.28   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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.4:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00  99.854% * 99.9010% (1.00  10.0 10.00   4.00  72.44) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  16.92 +/- 2.84   0.146% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  83.466% * 98.4786% (1.00  10.0 10.00   2.21  17.90) =  99.988%  kept
        T QB    ALA  110 - HA    ALA   61  15.60 +/- 2.20   0.286% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HA    ALA   61   8.18 +/- 0.97   1.762% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - HA    ALA   61   8.87 +/- 1.54   1.472% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HA    ALA   61  12.13 +/- 3.63   6.455% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - HA    ALA   61  10.57 +/- 1.98   1.434% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    ALA   61   8.44 +/- 2.52   2.632% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   61  11.29 +/- 2.12   0.835% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    ALA   61  15.32 +/- 2.48   0.298% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.01 +/- 1.53   0.732% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  15.69 +/- 2.19   0.244% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.07 +/- 4.24   0.145% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.05 +/- 2.05   0.239% *  0.0304% (0.31   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 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  91.030% * 98.9510% (1.00  10.0 10.00   2.21  17.90) =  99.993%  kept
        T HA    ALA   61 - QB    ALA  110  15.60 +/- 2.20   0.311% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QB    ALA   61   6.37 +/- 1.13   4.515% *  0.0444% (0.45   1.0  1.00   0.02   0.88) =   0.002%
          HD2   PRO   68 - QB    ALA   61   9.88 +/- 1.28   1.067% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   61   9.91 +/- 1.60   1.247% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA  110  13.51 +/- 2.32   0.671% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.28 +/- 3.09   0.231% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  13.79 +/- 2.18   0.537% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  16.56 +/- 2.78   0.261% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  20.72 +/- 3.05   0.129% *  0.0163% (0.16   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 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   2.73 +/- 0.18  99.471% * 99.9434% (1.00  10.0 10.00   3.00  41.01) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  16.38 +/- 1.70   0.529% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.95 +/- 0.14  96.471% * 99.7306% (0.98  10.0 10.00   3.00  41.01) =  99.997%  kept
          HG3   MET   96 - HA    ASP-  62  16.74 +/- 4.01   2.764% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HA    ASP-  62  22.68 +/- 3.71   0.318% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  22.70 +/- 2.61   0.267% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  24.72 +/- 2.30   0.180% *  0.0658% (0.65   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 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   2.73 +/- 0.18  97.387% * 99.8236% (1.00  10.0 10.00   3.00  41.01) =  99.998%  kept
          HA    SER  117 - HB2   ASP-  62  11.54 +/- 1.62   1.722% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB2   ASP-  62  20.31 +/- 3.07   0.748% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB2   ASP-  62  25.20 +/- 2.78   0.144% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00  99.389% * 99.7306% (0.98  10.0 10.00   3.00  41.01) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  16.38 +/- 3.64   0.453% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  23.05 +/- 3.20   0.055% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  24.09 +/- 3.09   0.069% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  25.94 +/- 2.37   0.034% *  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   2.95 +/- 0.14  97.361% * 99.8236% (0.98  10.0 10.00   3.00  41.01) =  99.998%  kept
          HA    SER  117 - HB3   ASP-  62  11.53 +/- 1.58   1.928% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   26 - HB3   ASP-  62  20.21 +/- 3.02   0.529% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   82 - HB3   ASP-  62  25.00 +/- 2.30   0.182% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00  99.770% * 99.4370% (0.98  10.0 10.00   3.00  41.01) =  99.999%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.67 +/- 2.22   0.230% *  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 = 240.6:
    * O T HB2   LEU   63 - HA    LEU   63   2.77 +/- 0.19  86.227% * 99.1997% (1.00  10.0 10.00   6.28 240.61) =  99.987%  kept
          HB3   ASP-  44 - HA    LEU   63   9.00 +/- 3.40   6.456% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.007%
          QB    ALA  124 - HA    LEU   63  13.59 +/- 3.36   1.400% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   63  13.07 +/- 3.39   1.531% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LEU   63  18.11 +/- 2.88   0.595% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LEU   63  15.54 +/- 2.42   0.631% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    LEU   63  17.47 +/- 3.02   0.547% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LEU   63  18.10 +/- 2.05   0.354% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  17.10 +/- 2.13   0.426% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  16.73 +/- 2.14   0.485% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  19.47 +/- 2.81   0.389% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  15.65 +/- 2.43   0.617% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  19.01 +/- 3.04   0.343% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.6:
    * O T HB3   LEU   63 - HA    LEU   63   2.59 +/- 0.27  70.940% * 99.7424% (1.00  10.0 10.00   5.98 240.61) =  99.978%  kept
          QG1   VAL   70 - HA    LEU   63   5.17 +/- 1.47  17.958% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.014%
          QG1   VAL   18 - HA    LEU   63   7.88 +/- 1.79   4.118% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - HA    LEU   63   8.76 +/- 2.88   4.612% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    LEU   63  10.92 +/- 2.19   1.825% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HA    LEU   63  15.78 +/- 2.36   0.547% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 240.5:
    * O T HG    LEU   63 - HA    LEU   63   3.26 +/- 0.62  73.365% * 99.8120% (1.00  10.0 10.00   5.97 240.61) =  99.974%  kept
          HG3   LYS+ 112 - HA    LEU   63  12.29 +/- 3.67  16.329% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.017%
          QG2   VAL   24 - HA    LEU   63  16.30 +/- 3.13   6.069% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL  107 - HA    LEU   63  10.65 +/- 2.07   4.237% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.12 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.804, support = 5.66, residual support = 240.5:
    *   T QD1   LEU   63 - HA    LEU   63   3.41 +/- 0.84  38.218% * 63.1462% (1.00 10.00   5.57 240.61) =  54.844%  kept
        T QD2   LEU   63 - HA    LEU   63   2.79 +/- 0.54  55.548% * 35.7505% (0.57 10.00   5.77 240.61) =  45.131%  kept
        T QD1   LEU   73 - HA    LEU   63  11.52 +/- 1.30   0.920% *  0.6315% (1.00 10.00   0.02   0.02) =   0.013%
        T QD1   LEU  104 - HA    LEU   63  12.95 +/- 1.89   0.823% *  0.3575% (0.57 10.00   0.02   0.02) =   0.007%
          QD2   LEU  115 - HA    LEU   63   7.98 +/- 1.48   3.700% *  0.0527% (0.84  1.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - HA    LEU   63  14.89 +/- 1.59   0.438% *  0.0506% (0.80  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   63  15.47 +/- 1.79   0.354% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.11 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.878, support = 5.71, residual support = 240.6:
    *   T QD2   LEU   63 - HA    LEU   63   2.79 +/- 0.54  54.972% * 63.5438% (1.00 10.00   5.77 240.61) =  71.960%  kept
        T QD1   LEU   63 - HA    LEU   63   3.41 +/- 0.84  37.823% * 35.9756% (0.57 10.00   5.57 240.61) =  28.031%  kept
        T QD1   LEU   73 - HA    LEU   63  11.52 +/- 1.30   0.910% *  0.3598% (0.57 10.00   0.02   0.02) =   0.007%
          QD2   LEU  115 - HA    LEU   63   7.98 +/- 1.48   3.661% *  0.0158% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HA    LEU   63  11.86 +/- 1.52   0.940% *  0.0385% (0.61  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HA    LEU   63  12.80 +/- 2.12   0.808% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  15.12 +/- 2.27   0.453% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  14.89 +/- 1.59   0.433% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.11 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.6:
    * O T HA    LEU   63 - HB2   LEU   63   2.77 +/- 0.19  97.901% * 99.2046% (1.00  10.0 10.00   6.28 240.61) =  99.986%  kept
        T HB2   HIS   22 - HB2   LEU   63  18.28 +/- 3.67   1.805% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.014%
          HA2   GLY  101 - HB2   LEU   63  19.94 +/- 1.74   0.294% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.6:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  89.511% * 99.7424% (1.00  10.0 10.00   6.31 240.61) =  99.994%  kept
          QG1   VAL   70 - HB2   LEU   63   5.61 +/- 1.75   5.632% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HB2   LEU   63   7.71 +/- 2.11   1.972% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB2   LEU   63  10.79 +/- 2.62   1.619% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   63   9.14 +/- 2.17   1.082% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  14.81 +/- 1.97   0.184% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.6:
    * O T HG    LEU   63 - HB2   LEU   63   2.46 +/- 0.18  92.752% * 99.8120% (1.00  10.0 10.00   6.31 240.61) =  99.995%  kept
          HG3   LYS+ 112 - HB2   LEU   63  11.08 +/- 2.87   4.330% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QG2   VAL   24 - HB2   LEU   63  15.58 +/- 2.93   0.864% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - HB2   LEU   63   9.79 +/- 1.69   2.054% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.909, support = 6.09, residual support = 240.0:
    * O T QD1   LEU   63 - HB2   LEU   63   2.38 +/- 0.27  63.920% * 57.6230% (1.00  10.0 10.00   6.08 240.61) =  78.785%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.13 +/- 0.12  30.059% * 32.6235% (0.57  10.0 10.00   6.23 240.61) =  20.976%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.76 +/- 1.82   1.158% *  9.3229% (1.00   1.0 10.00   0.32   0.02) =   0.231%  kept
          QD2   LEU  115 - HB2   LEU   63   6.90 +/- 1.23   3.574% *  0.0481% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU  104 - HB2   LEU   63  12.66 +/- 1.91   0.524% *  0.3262% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB2   LEU   63  14.10 +/- 2.06   0.394% *  0.0461% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  14.58 +/- 2.17   0.371% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.763, support = 6.14, residual support = 240.2:
      O T QD1   LEU   63 - HB2   LEU   63   2.38 +/- 0.27  63.400% * 34.1128% (0.57  10.0 10.00   6.08 240.61) =  54.538%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.13 +/- 0.12  29.814% * 60.2535% (1.00  10.0 10.00   6.23 240.61) =  45.299%  kept
        T QD1   LEU   73 - HB2   LEU   63  10.76 +/- 1.82   1.148% *  5.5191% (0.57   1.0 10.00   0.32   0.02) =   0.160%  kept
          QD2   LEU  115 - HB2   LEU   63   6.90 +/- 1.23   3.545% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB2   LEU   63  11.49 +/- 1.32   0.675% *  0.0365% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   LEU   63  12.33 +/- 1.75   0.598% *  0.0248% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  14.28 +/- 2.62   0.430% *  0.0248% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  14.10 +/- 2.06   0.390% *  0.0134% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.6:
    * O T HA    LEU   63 - HB3   LEU   63   2.59 +/- 0.27  98.936% * 99.8862% (1.00  10.0 10.00   5.98 240.61) =  99.999%  kept
          HB2   HIS   22 - HB3   LEU   63  18.23 +/- 3.40   0.765% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - HB3   LEU   63  19.21 +/- 1.97   0.299% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.6:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  88.430% * 99.1997% (1.00  10.0 10.00   6.31 240.61) =  99.988%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.55 +/- 3.55   9.444% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.010%
          HB3   PRO   93 - HB3   LEU   63  12.34 +/- 3.27   0.534% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  14.32 +/- 3.03   0.236% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  16.92 +/- 3.47   0.191% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  14.40 +/- 2.08   0.202% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  16.75 +/- 2.70   0.133% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.18 +/- 2.75   0.130% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  16.01 +/- 2.07   0.135% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  15.93 +/- 1.88   0.136% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.82 +/- 2.85   0.114% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  14.60 +/- 2.59   0.197% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  17.91 +/- 2.77   0.117% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.6:
    * O T HG    LEU   63 - HB3   LEU   63   2.91 +/- 0.17  88.797% * 99.8120% (1.00  10.0 10.00   6.00 240.61) =  99.993%  kept
          QG2   VAL   24 - HB3   LEU   63  15.28 +/- 3.29   3.057% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HB3   LEU   63  11.96 +/- 3.02   3.784% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL  107 - HB3   LEU   63  10.23 +/- 2.11   4.362% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.815, support = 5.83, residual support = 239.7:
    * O T QD1   LEU   63 - HB3   LEU   63   2.63 +/- 0.36  41.379% * 51.8947% (1.00  10.0 10.00   5.79 240.61) =  56.962%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.30 +/- 0.21  54.745% * 29.3804% (0.57  10.0 10.00   5.93 240.61) =  42.666%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.53 +/- 2.05   0.753% * 18.3371% (1.00   1.0 10.00   0.71   0.02) =   0.366%  kept
        T QD1   LEU  104 - HB3   LEU   63  12.31 +/- 1.85   0.421% *  0.2938% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB3   LEU   63   7.79 +/- 1.50   2.116% *  0.0433% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LEU   63  13.84 +/- 2.36   0.298% *  0.0416% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  14.32 +/- 2.46   0.288% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.869, support = 5.87, residual support = 240.1:
    * O T QD2   LEU   63 - HB3   LEU   63   2.30 +/- 0.21  54.319% * 56.5577% (1.00  10.0 10.00   5.93 240.61) =  69.896%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.63 +/- 0.36  41.058% * 32.0204% (0.57  10.0 10.00   5.79 240.61) =  29.910%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.53 +/- 2.05   0.747% * 11.3144% (0.57   1.0 10.00   0.71   0.02) =   0.192%  kept
          QD2   LEU  115 - HB3   LEU   63   7.79 +/- 1.50   2.100% *  0.0141% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   63  10.86 +/- 1.90   0.648% *  0.0343% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   63  11.81 +/- 2.02   0.498% *  0.0233% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  14.05 +/- 2.86   0.335% *  0.0233% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  13.84 +/- 2.36   0.295% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 240.6:
    * O T HA    LEU   63 - HG    LEU   63   3.26 +/- 0.62  92.624% * 99.8862% (1.00  10.0 10.00   5.97 240.61) =  99.994%  kept
          HB2   HIS   22 - HG    LEU   63  18.67 +/- 3.97   6.708% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.006%
          HA2   GLY  101 - HG    LEU   63  19.47 +/- 2.00   0.668% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.5:
    * O T HB2   LEU   63 - HG    LEU   63   2.46 +/- 0.18  76.634% * 99.1997% (1.00  10.0 10.00   6.31 240.61) =  99.973%  kept
          HB3   ASP-  44 - HG    LEU   63   7.75 +/- 3.47  17.449% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.022%
          HB3   PRO   93 - HG    LEU   63  12.07 +/- 3.68   2.033% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - HG    LEU   63  14.10 +/- 2.88   0.672% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG    LEU   63  14.53 +/- 2.55   0.546% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG    LEU   63  16.52 +/- 3.04   0.386% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  17.33 +/- 2.67   0.329% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  17.27 +/- 2.78   0.269% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  16.19 +/- 2.53   0.307% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  16.07 +/- 2.11   0.357% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  19.22 +/- 2.97   0.254% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  14.33 +/- 2.70   0.508% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  17.88 +/- 3.15   0.256% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.5:
    * O T HB3   LEU   63 - HG    LEU   63   2.91 +/- 0.17  63.042% * 99.7424% (1.00  10.0 10.00   6.00 240.61) =  99.968%  kept
          QG1   VAL   70 - HG    LEU   63   5.20 +/- 1.85  22.338% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.020%
          QG1   VAL   18 - HG    LEU   63   7.83 +/- 1.78   7.012% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU  123 - HG    LEU   63   9.00 +/- 2.53   4.060% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HG    LEU   63  10.71 +/- 2.22   2.865% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL  108 - HG    LEU   63  14.69 +/- 2.51   0.683% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.842, support = 5.61, residual support = 240.6:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.01  47.661% * 63.0834% (1.00  10.0 10.00   5.54 240.61) =  63.710%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  47.935% * 35.7149% (0.57  10.0 10.00   5.74 240.61) =  36.277%  kept
        T QD1   LEU   73 - HG    LEU   63  10.93 +/- 1.52   0.430% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU  115 - HG    LEU   63   6.99 +/- 2.05   3.268% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU  104 - HG    LEU   63  12.29 +/- 2.03   0.316% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - HG    LEU   63  14.72 +/- 2.41   0.189% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  14.32 +/- 2.42   0.201% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 5.67, residual support = 240.6:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  47.740% * 63.5438% (1.00  10.0 10.00   5.74 240.61) =  63.980%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.01  47.468% * 35.9756% (0.57  10.0 10.00   5.54 240.61) =  36.015%  kept
        T QD1   LEU   73 - HG    LEU   63  10.93 +/- 1.52   0.428% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  115 - HG    LEU   63   6.99 +/- 2.05   3.255% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HG    LEU   63  11.23 +/- 1.34   0.362% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.04 +/- 2.24   0.348% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  14.51 +/- 2.87   0.199% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  14.32 +/- 2.42   0.200% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.54, residual support = 239.0:
    *   T HA    LEU   63 - QD1   LEU   63   3.41 +/- 0.84  62.477% * 94.6400% (1.00 10.00   5.57 240.61) =  99.333%  kept
          HB2   HIS   22 - QD1   LEU   73   8.23 +/- 1.77   9.123% *  4.0122% (0.76  1.00   1.11   0.02) =   0.615%  kept
        T HA    LEU   63 - QD1   LEU   73  11.52 +/- 1.30   2.241% *  0.9464% (1.00 10.00   0.02   0.02) =   0.036%
        T HA    LEU   63 - QD1   LEU  104  12.95 +/- 1.89   1.805% *  0.2317% (0.24 10.00   0.02   0.02) =   0.007%
          HB2   HIS   22 - QD1   LEU   63  15.91 +/- 3.20   3.456% *  0.0723% (0.76  1.00   0.02   0.02) =   0.004%
          HA2   GLY  101 - QD1   LEU  104   7.12 +/- 1.51  16.589% *  0.0087% (0.09  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   73  14.06 +/- 3.61   3.016% *  0.0355% (0.38  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD1   LEU   63  15.91 +/- 1.69   0.897% *  0.0355% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU  104  21.43 +/- 2.90   0.395% *  0.0177% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 6.01, residual support = 237.1:
    * O T HB2   LEU   63 - QD1   LEU   63   2.38 +/- 0.27  40.193% * 76.8948% (1.00  10.0 10.00   6.08 240.61) =  98.530%  kept
          HB2   LEU   31 - QD1   LEU   73   7.39 +/- 2.11   3.148% *  6.6576% (0.90   1.0  1.00   1.93   1.62) =   0.668%  kept
          HG2   LYS+  99 - QD1   LEU  104   4.62 +/- 1.66  11.445% *  0.9828% (0.14   1.0  1.00   1.84  17.61) =   0.359%  kept
        T HB2   LEU   63 - QD1   LEU   73  10.76 +/- 1.82   0.826% * 12.4409% (1.00   1.0 10.00   0.32   0.02) =   0.328%  kept
          HB3   ASP-  44 - QD1   LEU   63   6.39 +/- 3.02  18.737% *  0.0754% (0.98   1.0  1.00   0.02   0.02) =   0.045%
        T HB3   LEU   80 - QD1   LEU   73   8.52 +/- 1.84   1.459% *  0.7537% (0.98   1.0 10.00   0.02   0.02) =   0.035%
          HB3   ASP-  44 - QD1   LEU   73   7.77 +/- 1.97   2.789% *  0.0754% (0.98   1.0  1.00   0.02   3.86) =   0.007%
        T HB3   LEU   80 - QD1   LEU   63  14.44 +/- 2.99   0.207% *  0.7537% (0.98   1.0 10.00   0.02   0.02) =   0.005%
          HB3   PRO   93 - QD1   LEU   63   9.83 +/- 3.27   1.764% *  0.0497% (0.65   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU   63 - QD1   LEU  104  12.66 +/- 1.91   0.367% *  0.1882% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU   80 - QD1   LEU  104  16.19 +/- 3.56   0.354% *  0.1845% (0.24   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU  104   6.21 +/- 0.95   3.957% *  0.0151% (0.20   1.0  1.00   0.02  12.12) =   0.002%
          HB2   LEU   31 - QD1   LEU   63  14.39 +/- 2.65   0.797% *  0.0690% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  124 - QD1   LEU   63  11.72 +/- 2.61   0.778% *  0.0690% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QD1   LEU   73  10.90 +/- 2.61   0.846% *  0.0616% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - QD1   LEU   73  12.83 +/- 3.13   0.839% *  0.0497% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.11 +/- 1.45   0.728% *  0.0528% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   63  11.74 +/- 2.01   0.499% *  0.0616% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD1   LEU   63  13.32 +/- 3.05   0.462% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD1   LEU  104  12.28 +/- 2.68   0.953% *  0.0169% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU   63  13.13 +/- 1.80   0.363% *  0.0435% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   63  13.40 +/- 2.20   0.262% *  0.0528% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.78 +/- 3.98   0.190% *  0.0642% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  13.85 +/- 2.14   0.269% *  0.0435% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  18.07 +/- 3.32   0.169% *  0.0690% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  15.98 +/- 2.60   0.316% *  0.0345% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.83 +/- 5.71   0.572% *  0.0169% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.47 +/- 2.28   0.519% *  0.0184% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  13.80 +/- 1.59   0.240% *  0.0345% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.59 +/- 1.15   2.658% *  0.0029% (0.04   1.0  1.00   0.02   0.43) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63  11.41 +/- 2.54   0.517% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  14.47 +/- 2.81   0.473% *  0.0129% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.91 +/- 1.90   0.352% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  11.07 +/- 1.67   0.500% *  0.0084% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  14.60 +/- 2.62   0.276% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.48 +/- 1.89   0.291% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.30 +/- 1.48   0.172% *  0.0122% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  18.24 +/- 2.42   0.133% *  0.0157% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  13.37 +/- 2.22   0.580% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 5.7, residual support = 236.0:
    * O T HB3   LEU   63 - QD1   LEU   63   2.63 +/- 0.36  40.716% * 70.7932% (1.00  10.0 10.00   5.79 240.61) =  98.100%  kept
          QG1   VAL   18 - QD1   LEU   73   5.81 +/- 2.35   8.220% *  3.6569% (0.69   1.0  1.00   1.50   0.81) =   1.023%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.53 +/- 2.05   0.966% * 25.0149% (1.00   1.0 10.00   0.71   0.02) =   0.822%  kept
          QG1   VAL   70 - QD1   LEU   63   4.39 +/- 1.66  19.125% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.026%
          QD1   LEU  123 - QD1   LEU   63   7.48 +/- 2.41   7.038% *  0.0241% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   18 - QD1   LEU   63   7.01 +/- 1.29   3.213% *  0.0486% (0.69   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QD1   LEU   63   8.73 +/- 2.39   5.968% *  0.0241% (0.34   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LEU   63 - QD1   LEU  104  12.31 +/- 1.85   0.595% *  0.1733% (0.24   1.0 10.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - QD1   LEU   73   7.87 +/- 1.41   3.724% *  0.0241% (0.34   1.0  1.00   0.02   1.76) =   0.003%
          QG1   VAL   70 - QD1   LEU   73   8.70 +/- 0.95   1.334% *  0.0401% (0.57   1.0  1.00   0.02   0.76) =   0.002%
          QG1   VAL  108 - QD1   LEU   63  11.80 +/- 2.57   0.874% *  0.0458% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   8.20 +/- 2.15   3.915% *  0.0098% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD1   LEU   73  14.47 +/- 2.39   0.451% *  0.0458% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QD1   LEU  104   9.63 +/- 2.31   1.762% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.82 +/- 2.25   0.641% *  0.0119% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.85 +/- 2.49   0.297% *  0.0241% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.35 +/- 0.70   0.469% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  12.24 +/- 4.12   0.691% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 5.37, residual support = 231.3:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.01  75.969% * 62.8146% (1.00  10.0 10.00   5.54 240.61) =  96.119%  kept
        T QG2   VAL   24 - QD1   LEU   73   6.17 +/- 1.84   5.476% * 33.1837% (0.97   1.0 10.00   1.09   1.39) =   3.660%  kept
        T QG1   VAL  107 - QD1   LEU   63   7.51 +/- 2.25   3.922% *  2.2369% (0.15   1.0 10.00   0.46   0.02) =   0.177%  kept
        T QG2   VAL   24 - QD1   LEU   63  13.08 +/- 3.13   1.746% *  0.6062% (0.97   1.0 10.00   0.02   0.02) =   0.021%
        T HG    LEU   63 - QD1   LEU   73  10.93 +/- 1.52   0.680% *  0.6281% (1.00   1.0 10.00   0.02   0.02) =   0.009%
          HG3   LYS+ 112 - QD1   LEU   63   9.15 +/- 3.07   8.041% *  0.0480% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T QG1   VAL  107 - QD1   LEU   73  12.32 +/- 2.45   1.085% *  0.0969% (0.15   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU  104  12.29 +/- 2.03   0.507% *  0.1538% (0.24   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   24 - QD1   LEU  104  14.33 +/- 2.06   0.376% *  0.1484% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QD1   LEU   73  14.83 +/- 3.91   1.019% *  0.0480% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL  107 - QD1   LEU  104   9.38 +/- 1.05   0.991% *  0.0237% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.19 +/- 1.48   0.187% *  0.0118% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.77, residual support = 240.6:
    *   T HA    LEU   63 - QD2   LEU   63   2.79 +/- 0.54  96.932% * 99.8862% (1.00 10.00   5.77 240.61) =  99.998%  kept
          HB2   HIS   22 - QD2   LEU   63  15.46 +/- 3.11   2.237% *  0.0763% (0.76  1.00   0.02   0.02) =   0.002%
          HA2   GLY  101 - QD2   LEU   63  15.27 +/- 2.11   0.831% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.22 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 0.999, support = 6.22, residual support = 240.5:
    * O T HB2   LEU   63 - QD2   LEU   63   3.13 +/- 0.12  62.200% * 98.3391% (1.00  10.0 10.00   6.23 240.61) =  99.937%  kept
          HB3   ASP-  44 - QD2   LEU   63   6.61 +/- 2.82  22.300% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.035%
        T HB3   LEU   80 - QD2   LEU   63  14.10 +/- 2.52   0.812% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.013%
          QB    ALA  124 - QD2   LEU   63  11.86 +/- 3.23   2.120% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD2   LEU   63  10.78 +/- 2.77   2.698% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QD2   LEU   63  11.26 +/- 2.40   2.025% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - QD2   LEU   63  13.65 +/- 2.46   1.247% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD2   LEU   63  14.37 +/- 2.85   1.015% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD2   LEU   63  12.48 +/- 1.72   1.192% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   63  13.45 +/- 2.15   0.893% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD2   LEU   63  14.90 +/- 2.13   0.858% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   63  11.55 +/- 3.07   1.885% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.85 +/- 2.55   0.754% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 5.92, residual support = 240.5:
    * O T HB3   LEU   63 - QD2   LEU   63   2.30 +/- 0.21  52.175% * 99.7424% (1.00  10.0 10.00   5.93 240.61) =  99.949%  kept
          QG1   VAL   70 - QD2   LEU   63   3.23 +/- 1.46  35.897% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.039%
          QG1   VAL   18 - QD2   LEU   63   6.19 +/- 1.64   6.574% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.009%
          QD1   LEU  123 - QD2   LEU   63   7.90 +/- 2.68   2.583% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU   63   8.16 +/- 1.68   2.197% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - QD2   LEU   63  12.39 +/- 2.47   0.574% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 240.5:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  90.815% * 98.8183% (1.00  10.0 10.00   5.74 240.61) =  99.960%  kept
        T QG2   VAL   24 - QD2   LEU   63  12.71 +/- 2.82   3.017% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.032%
        T QG1   VAL  107 - QD2   LEU   63   8.22 +/- 2.39   3.714% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.006%
          HG3   LYS+ 112 - QD2   LEU   63  10.35 +/- 2.64   2.454% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.6:
    * O T QB    ALA   64 - HA    ALA   64   2.12 +/- 0.02  99.462% * 99.9825% (1.00  10.0 10.00   2.00  20.58) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  13.73 +/- 2.27   0.538% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 2.15, residual support = 23.9:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.02  71.900% * 72.6945% (1.00  10.0 10.00   2.00  20.58) =  87.294%  kept
        T HB2   PHE   72 - QB    ALA   64   3.79 +/- 1.00  27.885% * 27.2831% (0.38   1.0 10.00   3.20  46.61) =  12.706%  kept
          HB3   ASN   35 - QB    ALA   64  15.10 +/- 1.41   0.215% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.917, support = 6.54, residual support = 155.9:
    * O T QB    LYS+  65 - HA    LYS+  65   2.34 +/- 0.14  80.051% * 86.0738% (0.92  10.0 10.00   6.56 157.75) =  98.582%  kept
          QB    LYS+  66 - HA    LYS+  65   5.25 +/- 0.20   7.335% * 13.4362% (0.52   1.0  1.00   5.51  30.87) =   1.410%  kept
          HB3   GLN   17 - HA    LYS+  65   8.28 +/- 4.10   6.563% *  0.0522% (0.56   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - HA    LYS+  65  11.72 +/- 1.76   1.055% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HA    LYS+ 121  15.41 +/- 2.28   0.406% *  0.0971% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LYS+  65  17.68 +/- 3.79   0.287% *  0.0719% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  14.20 +/- 1.75   0.449% *  0.0323% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.10 +/- 2.37   0.156% *  0.0844% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  13.18 +/- 4.09   1.273% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.29 +/- 6.03   0.629% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  18.53 +/- 2.85   0.215% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  18.02 +/- 6.10   0.321% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  17.39 +/- 6.08   0.736% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.04 +/- 1.85   0.174% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  19.30 +/- 4.92   0.244% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.88 +/- 3.90   0.106% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.844, support = 5.5, residual support = 162.9:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.95 +/- 0.70  32.094% * 53.0514% (0.92  10.0 10.00   5.27 157.75) =  86.863%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.33 +/- 0.67   2.744% * 38.5232% (0.67   1.0 10.00   5.66  30.87) =   5.393%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.74 +/- 0.46  15.529% *  5.9339% (0.10   1.0 10.00   7.73 313.68) =   4.701%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.57 +/- 0.22  39.539% *  1.4928% (0.03  10.0 10.00   8.22 313.68) =   3.011%  kept
        T HD3   LYS+  74 - HA    LYS+  65   9.28 +/- 3.50   4.174% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.017%
        T HD2   LYS+ 121 - HA    LYS+  65  17.03 +/- 2.70   0.183% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.005%
          HB2   LYS+  74 - HA    LYS+  65   8.88 +/- 2.60   1.553% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  66 - HA    LYS+ 121  14.05 +/- 4.69   1.345% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 121 - HA    LYS+  65  17.16 +/- 2.82   0.216% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  65  12.89 +/- 1.83   0.383% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  18.47 +/- 3.07   0.194% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    LYS+  65  12.49 +/- 1.49   0.390% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.91 +/- 2.38   0.116% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.67 +/- 3.02   0.130% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  15.27 +/- 7.23   0.554% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  22.23 +/- 3.81   0.085% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.26 +/- 3.89   0.107% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  16.15 +/- 5.77   0.414% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.97 +/- 3.61   0.100% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.99 +/- 1.94   0.150% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.912, support = 5.29, residual support = 159.5:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.20 +/- 0.54  51.044% * 94.0974% (0.92  10.0 10.00   5.27 157.75) =  98.782%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.22 +/- 0.67  27.211% *  2.1015% (0.02   1.0 10.00   6.68 313.68) =   1.176%  kept
        T HG3   LYS+  33 - HA    LYS+  65  16.35 +/- 2.40   0.532% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.010%
        T HG3   LYS+ 106 - HA    LYS+  65  19.10 +/- 2.07   0.336% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LEU   73 - HA    LYS+  65  10.67 +/- 1.90   1.930% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 102 - HA    LYS+  65  23.28 +/- 2.47   0.185% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - HA    LYS+  65  10.96 +/- 1.58   1.709% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - HA    LYS+ 121  18.06 +/- 3.28   0.935% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+  33 - HA    LYS+ 121  25.48 +/- 5.83   0.936% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HA    LYS+  65   9.13 +/- 2.21   4.127% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - HA    LYS+  65  17.80 +/- 2.94   0.458% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - HA    LYS+ 121  15.46 +/- 5.79   0.853% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   12 - HA    LYS+  65  14.67 +/- 3.49   1.057% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LYS+  65  16.29 +/- 3.07   0.765% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - HA    LYS+ 121  20.76 +/- 6.72   0.358% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LYS+  65  15.53 +/- 3.67   1.272% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LYS+  65  15.10 +/- 2.13   0.845% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+  65  17.26 +/- 3.34   0.846% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.58 +/- 2.78   0.659% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  15.53 +/- 4.47   0.956% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.62 +/- 1.08   0.539% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  21.64 +/- 3.56   0.334% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  15.90 +/- 4.87   0.714% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.35 +/- 3.98   0.132% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.18 +/- 1.91   0.311% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  18.06 +/- 5.03   0.467% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.01 +/- 3.89   0.298% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  21.90 +/- 2.34   0.192% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.8, support = 5.35, residual support = 179.2:
    *   T QD    LYS+  65 - HA    LYS+  65   3.48 +/- 0.54  32.043% * 85.0421% (0.92   1.0 10.00   4.88 157.75) =  85.050%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.97 +/- 0.07  48.048% *  9.5758% (0.10  10.0 10.00   8.30 313.68) =  14.360%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.51 +/- 0.58   8.183% *  2.1469% (0.04   1.0 10.00   1.31   2.24) =   0.548%  kept
        T HB2   LYS+ 121 - HA    LYS+  65  16.42 +/- 2.41   0.425% *  0.8485% (0.92   1.0 10.00   0.02   0.02) =   0.011%
        T QD    LYS+  38 - HA    LYS+  65  17.91 +/- 2.55   0.393% *  0.7850% (0.85   1.0 10.00   0.02   0.02) =   0.010%
          HD2   LYS+  74 - HA    LYS+  65   8.78 +/- 3.52   5.343% *  0.0481% (0.52   1.0  1.00   0.02   0.02) =   0.008%
        T HB2   LEU  123 - HA    LYS+  65  17.16 +/- 3.19   0.315% *  0.2901% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HA    LYS+  65  21.22 +/- 2.50   0.158% *  0.4815% (0.52   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HA    LYS+  65  22.19 +/- 3.64   0.232% *  0.2121% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HA    LYS+ 121  16.71 +/- 2.85   0.496% *  0.0960% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HA    LYS+  65  21.86 +/- 3.54   0.225% *  0.1312% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+  65  11.53 +/- 1.67   1.071% *  0.0236% (0.26   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+ 121  20.52 +/- 5.46   0.255% *  0.0886% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  65  18.64 +/- 2.93   0.262% *  0.0843% (0.91   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HA    LYS+ 121  18.93 +/- 5.97   0.332% *  0.0543% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+  65  17.25 +/- 3.87   0.429% *  0.0319% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  19.18 +/- 1.80   0.199% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  18.83 +/- 1.75   0.212% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  13.62 +/- 2.67   0.902% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.27 +/- 3.49   0.098% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.85 +/- 3.54   0.170% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.62 +/- 2.02   0.209% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 157.6:
    *   T QE    LYS+  65 - HA    LYS+  65   4.46 +/- 0.42  81.651% * 97.2340% (0.92 10.00   4.88 157.75) =  99.931%  kept
        T QE    LYS+  33 - HA    LYS+  65  14.98 +/- 2.48   3.111% *  0.8720% (0.83 10.00   0.02   0.02) =   0.034%
        T HB2   ASN   28 - HA    LYS+  65  19.24 +/- 2.03   1.322% *  0.9384% (0.89 10.00   0.02   0.02) =   0.016%
        T HB2   ASN   35 - HA    LYS+  65  20.91 +/- 2.08   1.001% *  0.5898% (0.56 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  33 - HA    LYS+ 121  23.78 +/- 5.30   3.683% *  0.0984% (0.09 10.00   0.02   0.02) =   0.005%
        T QE    LYS+  65 - HA    LYS+ 121  16.97 +/- 3.09   3.162% *  0.1097% (0.10 10.00   0.02   0.02) =   0.004%
          HB2   ASP-  86 - HA    LYS+  65  21.18 +/- 3.28   1.186% *  0.0898% (0.85  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    LYS+  65  17.73 +/- 3.40   2.424% *  0.0365% (0.35  1.00   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    LYS+ 121  28.41 +/- 4.50   0.621% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  25.95 +/- 5.93   0.885% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  25.11 +/- 3.24   0.562% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  27.93 +/- 2.86   0.392% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.56, residual support = 157.7:
    * O T HA    LYS+  65 - QB    LYS+  65   2.34 +/- 0.14  88.061% * 98.7802% (0.92  10.0 10.00   6.56 157.75) =  99.987%  kept
          QB    SER   48 - QB    LYS+  65  13.45 +/- 4.66   3.644% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 121 - QB    LYS+  65  15.41 +/- 2.28   0.447% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - QB    LYS+  65  11.02 +/- 3.80   2.169% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QB    LYS+  65  15.32 +/- 4.45   2.198% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QB    LYS+  65  14.60 +/- 4.05   1.049% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  13.77 +/- 2.19   0.536% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QB    LYS+  65  15.13 +/- 3.50   0.857% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  20.12 +/- 3.02   0.176% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  13.79 +/- 1.39   0.515% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  19.31 +/- 1.88   0.187% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  21.63 +/- 3.96   0.162% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.962, support = 5.68, residual support = 140.2:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.38 +/- 0.13  72.428% * 57.5064% (1.00  10.0 10.00   5.71 157.75) =  86.139%  kept
        T QD    LYS+  66 - QB    LYS+  65   5.08 +/- 1.08  16.035% * 41.7582% (0.73   1.0 10.00   5.53  30.87) =  13.848%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.37 +/- 2.62   0.722% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LYS+  74 - QB    LYS+  65   8.76 +/- 2.08   2.662% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - QB    LYS+  65   8.63 +/- 3.05   5.485% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QB    LYS+  65  12.56 +/- 1.76   0.673% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  65  14.54 +/- 2.43   0.866% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.45 +/- 1.33   0.595% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.49 +/- 2.79   0.333% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.54 +/- 2.09   0.201% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 157.7:
    * O T QD    LYS+  65 - QB    LYS+  65   2.19 +/- 0.15  89.161% * 97.4795% (1.00  10.0 10.00   5.34 157.75) =  99.986%  kept
          HD2   LYS+  74 - QB    LYS+  65   8.40 +/- 2.97   5.863% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   PRO   93 - QB    LYS+  65  14.44 +/- 4.01   0.800% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QB    LYS+  65  17.32 +/- 2.34   0.247% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - QB    LYS+  65  19.77 +/- 2.35   0.172% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QB    LYS+  65  13.84 +/- 2.22   0.665% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QB    LYS+  65  18.70 +/- 3.22   0.253% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QB    LYS+  65   9.05 +/- 1.72   1.901% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+  65  18.47 +/- 3.06   0.253% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  17.36 +/- 2.73   0.283% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  14.24 +/- 2.46   0.403% *  0.0333% (0.34   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 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 157.7:
    *   T QE    LYS+  65 - QB    LYS+  65   3.26 +/- 0.50  95.378% * 98.8300% (1.00 10.00   5.44 157.75) =  99.986%  kept
        T QE    LYS+  33 - QB    LYS+  65  14.92 +/- 2.00   1.261% *  0.8863% (0.90 10.00   0.02   0.02) =   0.012%
          HB2   ASN   28 - QB    LYS+  65  18.37 +/- 2.13   0.719% *  0.0954% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - QB    LYS+  65  19.54 +/- 3.13   0.697% *  0.0912% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - QB    LYS+  65  16.16 +/- 3.15   1.485% *  0.0371% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+  65  20.24 +/- 1.78   0.459% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 157.7:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.95 +/- 0.70  71.489% * 97.8884% (0.92  10.0 10.00   5.27 157.75) =  99.949%  kept
        T HA    ALA  120 - HG2   LYS+  65  16.63 +/- 2.71   1.127% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.016%
          QB    SER   48 - HG2   LYS+  65  15.14 +/- 5.69  10.988% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.013%
          HA2   GLY   16 - HG2   LYS+  65  12.04 +/- 4.83   6.575% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.010%
        T HA    LYS+ 121 - HG2   LYS+  65  18.47 +/- 3.07   0.676% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.006%
          HA2   GLY   51 - HG2   LYS+  65  17.57 +/- 5.56   3.710% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   94 - HG2   LYS+  65  17.25 +/- 4.45   2.010% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HG2   LYS+  65  17.47 +/- 4.46   1.813% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG2   LYS+  65  23.00 +/- 3.41   0.307% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.50 +/- 2.05   0.745% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  24.88 +/- 4.46   0.331% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  21.91 +/- 2.77   0.227% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.973, support = 5.63, residual support = 149.9:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.38 +/- 0.13  84.310% * 63.6862% (1.00  10.0 10.00   5.71 157.75) =  93.844%  kept
        T QB    LYS+  66 - HG2   LYS+  65   5.59 +/- 1.08   9.761% * 36.0562% (0.57   1.0 10.00   4.44  30.87) =   6.151%  kept
          HB3   GLN   17 - HG2   LYS+  65   9.54 +/- 4.29   4.245% *  0.0386% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HG2   LYS+  65  13.86 +/- 1.98   0.615% *  0.0635% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HG2   LYS+  65  17.52 +/- 4.59   0.416% *  0.0532% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.77 +/- 2.41   0.133% *  0.0624% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  16.29 +/- 1.99   0.340% *  0.0239% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  20.21 +/- 2.95   0.180% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.53, residual support = 157.6:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.31 +/- 0.12  86.389% * 96.4735% (1.00  10.0 10.00   4.54 157.75) =  99.922%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   9.58 +/- 3.87  10.394% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.068%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.74 +/- 2.92   0.437% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  38 - HG2   LYS+  65  19.79 +/- 2.97   0.237% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG2   LYS+  65  22.88 +/- 2.53   0.118% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   LYS+  65  21.80 +/- 4.06   0.181% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   LYS+  65  10.93 +/- 1.69   1.048% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.51 +/- 4.03   0.173% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.98 +/- 4.68   0.548% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  20.00 +/- 3.13   0.188% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  17.13 +/- 2.81   0.286% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 157.7:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.74 +/- 0.38  97.799% * 98.8300% (1.00  10.0 10.00   4.54 157.75) =  99.992%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.74 +/- 2.80   0.795% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ASN   28 - HG2   LYS+  65  20.75 +/- 2.91   0.316% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  18.27 +/- 3.91   0.590% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  22.55 +/- 3.44   0.235% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  22.98 +/- 2.68   0.265% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 157.6:
    *   T HA    LYS+  65 - QD    LYS+  65   3.48 +/- 0.54  39.906% * 96.9449% (0.92 10.00   4.88 157.75) =  99.922%  kept
          QB    SER   48 - QD    LYS+  65  13.73 +/- 5.48   9.454% *  0.0803% (0.76  1.00   0.02   0.02) =   0.020%
          HA2   GLY   16 - QD    LYS+  65  11.05 +/- 3.73   6.380% *  0.1014% (0.97  1.00   0.02   0.02) =   0.017%
        T HA    LYS+ 121 - QD    LYS+  65  16.71 +/- 2.85   0.737% *  0.5946% (0.57 10.00   0.02   0.02) =   0.011%
          HA2   GLY   51 - QD    LYS+  65  15.57 +/- 5.15   3.069% *  0.0511% (0.49  1.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - QD    LYS+  38  17.91 +/- 2.55   0.627% *  0.1771% (0.17 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 111  22.19 +/- 3.64   0.380% *  0.2400% (0.23 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - QD    LYS+ 102  18.93 +/- 5.97   0.497% *  0.1503% (0.14 10.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QD    LYS+  65  14.95 +/- 2.36   0.691% *  0.0993% (0.95  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  65 - HD2   LYS+ 111  21.86 +/- 3.54   0.368% *  0.1485% (0.14 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - QD    LYS+ 102  21.22 +/- 2.50   0.201% *  0.2450% (0.23 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+ 111  19.18 +/- 1.80   0.306% *  0.1472% (0.14 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD    LYS+  65  16.32 +/- 3.92   0.657% *  0.0679% (0.65  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QD    LYS+  38  20.52 +/- 5.46   0.402% *  0.1086% (0.10 10.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    LYS+  65  15.69 +/- 4.07   1.009% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD    LYS+  38  14.39 +/- 4.26   1.804% *  0.0185% (0.18  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD2   LYS+ 111  18.83 +/- 1.75   0.323% *  0.0911% (0.09 10.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+ 111  16.16 +/- 4.84   2.158% *  0.0127% (0.12  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HD3   LYS+ 111  14.35 +/- 4.86   2.674% *  0.0089% (0.08  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD3   LYS+ 111  13.95 +/- 2.53   1.245% *  0.0168% (0.16  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD    LYS+  65  21.36 +/- 3.09   0.203% *  0.1014% (0.97  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HD2   LYS+ 111  14.47 +/- 4.92   3.374% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.10 +/- 1.67   0.701% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  15.86 +/- 2.81   0.646% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  16.77 +/- 4.19   0.830% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.45 +/- 2.58   1.477% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111  10.32 +/- 1.44   2.307% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.39 +/- 4.66   1.818% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.26 +/- 5.41   2.594% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  16.75 +/- 4.37   1.045% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.21 +/- 1.40   2.985% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   9.94 +/- 1.54   2.790% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  18.21 +/- 1.69   0.351% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.31 +/- 1.91   0.486% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  21.18 +/- 4.44   0.251% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  20.33 +/- 2.14   0.288% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  22.27 +/- 4.20   0.227% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  17.97 +/- 1.68   0.369% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  21.84 +/- 4.94   0.309% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  21.59 +/- 2.84   0.218% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  22.53 +/- 3.26   0.236% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  21.92 +/- 2.84   0.220% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.44 +/- 2.89   0.074% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  21.22 +/- 2.82   0.226% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  29.65 +/- 4.66   0.135% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  23.14 +/- 4.05   0.184% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  17.97 +/- 2.81   0.388% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.73 +/- 1.57   0.188% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  16.68 +/- 2.66   0.501% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  29.26 +/- 4.68   0.143% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  24.33 +/- 2.20   0.134% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  20.52 +/- 3.16   0.286% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  21.07 +/- 2.84   0.248% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.14 +/- 2.98   0.089% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.49 +/- 2.51   0.110% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  20.06 +/- 3.21   0.295% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  29.69 +/- 3.97   0.076% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  28.66 +/- 3.17   0.087% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.38 +/- 2.11   0.138% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  30.87 +/- 2.95   0.081% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.10 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.847, support = 5.2, residual support = 153.4:
    * O T QB    LYS+  65 - QD    LYS+  65   2.19 +/- 0.15  33.833% * 69.4304% (1.00  10.0 10.00   5.34 157.75) =  78.399%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.26 +/- 0.25  31.302% * 17.2013% (0.25  10.0 10.00   4.75 159.83) =  17.970%  kept
          QB    LYS+  66 - QD    LYS+  65   5.01 +/- 1.21  10.978% *  8.7646% (0.57   1.0  1.00   4.46  30.87) =   3.211%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.58 +/- 1.57   8.072% *  0.8533% (0.06   1.0  1.00   3.90  23.64) =   0.230%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.28 +/- 4.04   7.275% *  0.7118% (0.13   1.0 10.00   0.16   0.02) =   0.173%  kept
        T HG2   PRO   93 - QD    LYS+  65  16.33 +/- 4.02   0.158% *  0.5799% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - QD    LYS+  38  10.56 +/- 2.53   0.617% *  0.1243% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLN   17 - QD    LYS+  65   8.72 +/- 3.14   1.768% *  0.0421% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HB    VAL   41 - QD    LYS+ 102  10.69 +/- 2.57   1.094% *  0.0659% (0.09   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - QD    LYS+  65  20.28 +/- 2.32   0.053% *  0.6806% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  65  15.46 +/- 1.72   0.111% *  0.2606% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QD    LYS+  38  10.42 +/- 1.61   0.466% *  0.0476% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HD3   LYS+ 111   9.63 +/- 3.86   1.499% *  0.0144% (0.21   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD3   LYS+ 111  18.70 +/- 3.22   0.086% *  0.1719% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.10 +/- 1.44   0.181% *  0.0693% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  17.32 +/- 2.34   0.092% *  0.1268% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  19.77 +/- 2.35   0.061% *  0.1755% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.47 +/- 3.06   0.083% *  0.1064% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.27 +/- 1.68   0.043% *  0.1466% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.69 +/- 2.29   0.407% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.96 +/- 2.59   0.284% *  0.0175% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.84 +/- 2.08   0.034% *  0.1043% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.05 +/- 1.67   0.023% *  0.1059% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.51 +/- 3.70   0.225% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  18.98 +/- 2.95   0.081% *  0.0173% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.51 +/- 2.77   0.033% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  16.69 +/- 3.60   0.154% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.02 +/- 2.69   0.156% *  0.0072% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.19 +/- 3.56   0.183% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  24.47 +/- 5.79   0.047% *  0.0172% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  13.65 +/- 2.11   0.227% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.77 +/- 1.90   0.063% *  0.0099% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  23.90 +/- 5.88   0.055% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  23.43 +/- 2.33   0.032% *  0.0168% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.81 +/- 3.45   0.047% *  0.0106% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.91 +/- 4.18   0.027% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  24.15 +/- 2.66   0.030% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  21.26 +/- 2.72   0.045% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.64 +/- 3.95   0.027% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.60 +/- 2.57   0.050% *  0.0027% (0.04   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 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 0.941, support = 4.51, residual support = 141.7:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.31 +/- 0.12  42.105% * 54.0927% (1.00  10.0 10.00   4.54 157.75) =  83.160%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.31 +/- 1.50  10.406% * 39.2794% (0.73   1.0 10.00   4.28  30.87) =  14.924%  kept
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.69 +/- 0.37  11.632% *  2.3452% (0.04  10.0  1.00   5.19 315.10) =   0.996%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.49 +/- 0.61  16.458% *  1.4512% (0.03  10.0  1.00   5.19 315.10) =   0.872%  kept
        T HB2   LYS+  74 - QD    LYS+  65   9.55 +/- 2.62   1.123% *  0.4518% (0.84   1.0 10.00   0.02   0.02) =   0.019%
        T HD3   LYS+  74 - QD    LYS+  65   9.26 +/- 3.76   3.869% *  0.0835% (0.15   1.0 10.00   0.02   0.02) =   0.012%
        T HD2   LYS+ 121 - QD    LYS+  65  15.79 +/- 3.35   0.319% *  0.5361% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  66 - HD3   LYS+ 111  19.62 +/- 4.12   0.526% *  0.0972% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LYS+ 121 - QD    LYS+  65  15.94 +/- 2.98   0.261% *  0.1349% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   7.17 +/- 2.04   6.659% *  0.0034% (0.06   1.0  1.00   0.02   0.29) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+ 102  17.85 +/- 5.55   0.153% *  0.1355% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - QD    LYS+  38  16.97 +/- 3.03   0.258% *  0.0718% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  65  12.89 +/- 2.06   0.323% *  0.0536% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD3   LYS+ 111  17.80 +/- 2.34   0.123% *  0.1327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HD3   LYS+ 111  21.80 +/- 4.06   0.088% *  0.1339% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  19.84 +/- 4.59   0.117% *  0.0979% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  19.79 +/- 2.97   0.107% *  0.0988% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  18.84 +/- 2.86   0.119% *  0.0825% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  22.88 +/- 2.53   0.057% *  0.1367% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  20.17 +/- 1.98   0.074% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.51 +/- 4.03   0.081% *  0.0829% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.50 +/- 2.96   0.058% *  0.1119% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  17.74 +/- 5.78   0.176% *  0.0341% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  19.76 +/- 5.22   0.161% *  0.0246% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  18.00 +/- 1.98   0.107% *  0.0334% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.17 +/- 3.75   0.253% *  0.0136% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  13.84 +/- 1.72   0.268% *  0.0120% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.36 +/- 1.48   0.236% *  0.0098% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.43 +/- 0.85   0.978% *  0.0022% (0.04   1.0  1.00   0.02   0.53) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.35 +/- 3.95   0.331% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  11.46 +/- 1.91   0.743% *  0.0025% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  20.57 +/- 3.47   0.105% *  0.0152% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.67 +/- 2.83   0.073% *  0.0211% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  12.51 +/- 1.95   0.497% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  21.79 +/- 2.60   0.066% *  0.0207% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  17.89 +/- 2.97   0.139% *  0.0095% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.30 +/- 2.37   0.090% *  0.0135% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.21 +/- 2.66   0.091% *  0.0114% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  17.43 +/- 2.21   0.127% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.97 +/- 3.12   0.040% *  0.0133% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.21 +/- 2.81   0.060% *  0.0069% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.69 +/- 3.04   0.043% *  0.0082% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  17.59 +/- 1.93   0.115% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  22.66 +/- 2.59   0.051% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.18 +/- 3.39   0.054% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  21.92 +/- 3.29   0.065% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.52 +/- 3.49   0.064% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  21.91 +/- 2.41   0.055% *  0.0021% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  21.56 +/- 2.22   0.064% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.48 +/- 3.01   0.034% *  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 = 4.25, residual support = 157.7:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  89.391% * 97.0780% (1.00  10.0 10.00   4.25 157.75) =  99.990%  kept
        T QE    LYS+  33 - QD    LYS+  65  15.40 +/- 2.04   0.290% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  33 - QD    LYS+ 102  15.83 +/- 4.16   0.880% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - QD    LYS+  38  10.05 +/- 1.43   1.038% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HD3   LYS+ 111  20.22 +/- 3.79   0.185% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - QD    LYS+  38  18.64 +/- 2.68   0.191% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   6.78 +/- 0.88   3.086% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.02 +/- 3.69   0.182% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  21.53 +/- 2.44   0.102% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  12.56 +/- 4.58   1.193% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  19.19 +/- 2.56   0.173% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  16.94 +/- 3.79   0.359% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.39 +/- 2.54   0.731% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  13.88 +/- 3.59   0.502% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  21.04 +/- 3.15   0.117% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  17.29 +/- 5.19   0.395% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.89 +/- 3.19   0.042% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  21.30 +/- 2.18   0.102% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.44 +/- 3.20   0.045% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  20.37 +/- 3.22   0.117% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  22.73 +/- 3.71   0.205% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.70 +/- 2.77   0.084% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  24.56 +/- 5.24   0.205% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.18 +/- 2.70   0.090% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.77 +/- 3.63   0.039% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.85 +/- 3.18   0.079% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  29.33 +/- 3.64   0.044% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.64 +/- 2.72   0.075% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.74 +/- 3.26   0.027% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.10 +/- 3.41   0.030% *  0.0090% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.886, support = 4.81, residual support = 151.3:
    *   T HA    LYS+  65 - QE    LYS+  65   4.46 +/- 0.42  36.282% * 88.0388% (0.92 10.00   4.88 157.75) =  95.459%  kept
        T HA    GLN   32 - QE    LYS+  33   6.92 +/- 1.29  15.185% *  9.7024% (0.10 10.00   3.58  15.56) =   4.403%  kept
          QB    SER   48 - QE    LYS+  65  13.95 +/- 5.61  12.642% *  0.0729% (0.76  1.00   0.02   0.02) =   0.028%
        T HA    LYS+ 121 - QE    LYS+  65  16.97 +/- 3.09   1.544% *  0.5399% (0.57 10.00   0.02   0.02) =   0.025%
          HA2   GLY   16 - QE    LYS+  65  11.76 +/- 3.92   6.657% *  0.0920% (0.97  1.00   0.02   0.02) =   0.018%
        T HA    LYS+  65 - QE    LYS+  33  14.98 +/- 2.48   1.349% *  0.4526% (0.47 10.00   0.02   0.02) =   0.018%
        T HA    LYS+ 121 - QE    LYS+  33  23.78 +/- 5.30   1.682% *  0.2776% (0.29 10.00   0.02   0.02) =   0.014%
          HA2   GLY   51 - QE    LYS+  65  15.76 +/- 5.54   8.341% *  0.0464% (0.49  1.00   0.02   0.02) =   0.012%
          HA2   GLY   16 - QE    LYS+  33  11.64 +/- 3.00   4.085% *  0.0473% (0.50  1.00   0.02   0.02) =   0.006%
          HA    ALA  120 - QE    LYS+  65  15.20 +/- 2.63   1.627% *  0.0902% (0.95  1.00   0.02   0.02) =   0.004%
          HD2   PRO   52 - QE    LYS+  65  15.80 +/- 4.61   3.234% *  0.0325% (0.34  1.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QE    LYS+  65  20.75 +/- 2.42   0.447% *  0.1887% (0.20 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - QE    LYS+  65  16.56 +/- 4.20   1.273% *  0.0617% (0.65  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - QE    LYS+  33  24.02 +/- 5.24   1.314% *  0.0464% (0.49  1.00   0.02   0.02) =   0.002%
          QB    SER   85 - QE    LYS+  65  21.53 +/- 3.52   0.365% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QE    LYS+  65  15.33 +/- 2.04   1.200% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QE    LYS+  33  19.76 +/- 2.61   0.467% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QE    LYS+  33  20.64 +/- 3.27   0.454% *  0.0375% (0.39  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QE    LYS+  33  20.45 +/- 1.94   0.393% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.87 +/- 3.03   0.486% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  23.31 +/- 4.51   0.324% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  26.70 +/- 2.47   0.175% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.04 +/- 2.02   0.194% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.96 +/- 2.39   0.280% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.10 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.98, support = 5.39, residual support = 152.0:
    *   T QB    LYS+  65 - QE    LYS+  65   3.26 +/- 0.50  52.196% * 88.2194% (1.00 10.00   5.44 157.75) =  95.450%  kept
          QB    LYS+  66 - QE    LYS+  65   5.65 +/- 1.43  20.253% * 10.7612% (0.57  1.00   4.31  30.87) =   4.518%  kept
          HB3   GLN   17 - QE    LYS+  65   9.57 +/- 3.43  10.893% *  0.0535% (0.61  1.00   0.02   0.02) =   0.012%
        T QB    LYS+  65 - QE    LYS+  33  14.92 +/- 2.00   0.686% *  0.4535% (0.51 10.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QE    LYS+  33   9.88 +/- 3.89   5.830% *  0.0453% (0.51  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QE    LYS+  65  13.75 +/- 1.56   0.931% *  0.0880% (1.00  1.00   0.02   0.02) =   0.002%
          HG2   PRO   93 - QE    LYS+  65  16.49 +/- 4.49   0.853% *  0.0737% (0.84  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  33  14.94 +/- 3.62   1.258% *  0.0445% (0.50  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  33  11.99 +/- 2.63   1.697% *  0.0275% (0.31  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  33  10.36 +/- 2.81   2.708% *  0.0170% (0.19  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QE    LYS+  65  20.56 +/- 2.36   0.263% *  0.0865% (0.98  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  15.90 +/- 1.66   0.607% *  0.0331% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.58 +/- 2.04   0.623% *  0.0257% (0.29  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  19.32 +/- 2.98   0.366% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.25 +/- 3.01   0.686% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.41 +/- 2.07   0.153% *  0.0379% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 0.985, support = 4.54, residual support = 151.0:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.74 +/- 0.38  51.299% * 84.9854% (1.00  10.0 10.00   4.54 157.75) =  94.703%  kept
          QD    LYS+  66 - QE    LYS+  65   5.92 +/- 1.82  17.275% * 14.0482% (0.73   1.0  1.00   4.55  30.87) =   5.272%  kept
          QG2   THR   26 - QE    LYS+  33   6.76 +/- 1.47   7.204% *  0.0433% (0.51   1.0  1.00   0.02   0.02) =   0.007%
        T HG2   LYS+  65 - QE    LYS+  33  16.74 +/- 2.80   0.416% *  0.4369% (0.51   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  74 - QE    LYS+  65  10.11 +/- 3.37   2.440% *  0.0710% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - QE    LYS+  65   9.78 +/- 4.47  12.182% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - QE    LYS+  65  16.04 +/- 3.63   1.510% *  0.0842% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - QE    LYS+  65  13.30 +/- 2.45   0.971% *  0.0842% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QE    LYS+  33  13.56 +/- 2.61   0.937% *  0.0365% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QE    LYS+  65  16.22 +/- 3.22   1.418% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QE    LYS+  33  11.36 +/- 2.35   1.229% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  16.50 +/- 2.11   0.348% *  0.0317% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  14.37 +/- 1.65   0.432% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  15.53 +/- 3.24   1.089% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  22.67 +/- 4.09   0.137% *  0.0433% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.07 +/- 3.36   0.379% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.64 +/- 2.66   0.187% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.50 +/- 2.69   0.300% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  22.79 +/- 4.85   0.173% *  0.0109% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  26.65 +/- 2.69   0.073% *  0.0077% (0.09   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 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 157.7:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  86.674% * 96.2302% (1.00  10.0 10.00   4.25 157.75) =  99.980%  kept
        T QD    LYS+  38 - QE    LYS+  33  10.05 +/- 1.43   1.008% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.006%
          HD2   LYS+  74 - QE    LYS+  65   9.73 +/- 4.07   6.036% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - QE    LYS+  33  15.83 +/- 4.16   0.855% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - QE    LYS+  65  18.64 +/- 2.68   0.186% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - QE    LYS+  33  15.40 +/- 2.04   0.281% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - QE    LYS+  65  15.54 +/- 3.08   0.589% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  65  21.53 +/- 2.44   0.099% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - QE    LYS+  65  20.22 +/- 3.79   0.180% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QE    LYS+  65   9.89 +/- 2.01   1.277% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.02 +/- 3.69   0.177% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  14.68 +/- 3.12   0.689% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  18.97 +/- 3.41   0.173% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  15.97 +/- 4.59   0.409% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  15.56 +/- 2.74   0.382% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  17.18 +/- 3.73   0.208% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  22.33 +/- 4.39   0.178% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  24.16 +/- 5.86   0.326% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.89 +/- 3.19   0.040% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.44 +/- 3.20   0.043% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.94 +/- 1.65   0.130% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.39 +/- 2.20   0.060% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.989, support = 5.1, residual support = 115.7:
    * O T QB    LYS+  66 - HA    LYS+  66   2.37 +/- 0.12  82.782% * 85.8006% (1.00  10.0 10.00   5.09 118.00) =  97.364%  kept
          QB    LYS+  65 - HA    LYS+  66   4.37 +/- 0.32  14.408% * 13.3312% (0.57   1.0  1.00   5.49  30.87) =   2.633%  kept
        T HB3   PRO   52 - HA    LYS+  66  20.27 +/- 3.72   0.217% *  0.4858% (0.57   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    LYS+  66  14.10 +/- 4.87   1.025% *  0.0486% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  66  12.57 +/- 1.48   0.693% *  0.0451% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  15.58 +/- 1.78   0.344% *  0.0812% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  19.09 +/- 3.69   0.217% *  0.0769% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  19.44 +/- 2.06   0.167% *  0.0717% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  20.56 +/- 2.10   0.148% *  0.0589% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 0.95, support = 4.36, residual support = 108.1:
    * O T QG    LYS+  66 - HA    LYS+  66   2.54 +/- 0.42  68.887% * 64.6462% (1.00  10.0 10.00   4.34 118.00) =  90.407%  kept
        T HG    LEU   67 - HA    LYS+  66   5.53 +/- 1.36  16.011% * 24.2624% (0.38   1.0 10.00   4.79  15.26) =   7.886%  kept
          HB3   LEU   67 - HA    LYS+  66   5.70 +/- 0.43   7.805% * 10.7309% (0.95   1.0  1.00   3.51  15.26) =   1.700%  kept
          QB    ALA   61 - HA    LYS+  66   8.24 +/- 1.19   2.342% *  0.0540% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU  115 - HA    LYS+  66  14.49 +/- 2.45   2.093% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    LYS+  66  14.80 +/- 1.19   0.440% *  0.0612% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    LYS+  66  12.77 +/- 1.48   0.780% *  0.0315% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  13.23 +/- 2.14   0.606% *  0.0340% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  18.38 +/- 3.18   0.427% *  0.0392% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  19.20 +/- 2.57   0.247% *  0.0418% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.60 +/- 2.02   0.106% *  0.0561% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  19.79 +/- 2.61   0.256% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.985, support = 4.56, residual support = 113.4:
    *   T QD    LYS+  66 - HA    LYS+  66   3.01 +/- 0.63  67.310% * 85.4375% (1.00 10.00   4.57 118.00) =  94.753%  kept
          HG2   LYS+  65 - HA    LYS+  66   5.35 +/- 1.17  23.352% * 13.5803% (0.73  1.00   4.38  30.87) =   5.225%  kept
        T HD2   LYS+ 121 - HA    LYS+  66  15.90 +/- 4.03   1.374% *  0.6841% (0.80 10.00   0.02   0.02) =   0.015%
          HD3   LYS+  74 - HA    LYS+  66  12.26 +/- 3.73   2.658% *  0.0450% (0.53  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HA    LYS+  66  15.82 +/- 4.32   1.147% *  0.0587% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    LYS+  66  12.19 +/- 2.65   1.808% *  0.0321% (0.38  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LYS+  66  19.97 +/- 3.81   1.194% *  0.0484% (0.57  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    LYS+  66  15.57 +/- 1.80   0.767% *  0.0553% (0.65  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+  66  19.04 +/- 2.55   0.391% *  0.0587% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.09 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 118.0:
    *   T QE    LYS+  66 - HA    LYS+  66   3.97 +/- 0.80  90.313% * 99.6609% (1.00 10.00   4.36 118.00) =  99.991%  kept
        T HB2   ASP-  76 - HA    LYS+  66  17.17 +/- 2.66   2.304% *  0.2219% (0.22 10.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - HA    LYS+  66  10.36 +/- 1.02   6.493% *  0.0308% (0.31  1.00   0.02   0.02) =   0.002%
          HB3   ASN   35 - HA    LYS+  66  22.05 +/- 2.49   0.891% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 4.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.09, residual support = 118.0:
    * O T HA    LYS+  66 - QB    LYS+  66   2.37 +/- 0.12  98.183% * 99.9488% (1.00  10.0 10.00   5.09 118.00) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  11.16 +/- 2.94   1.433% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.33 +/- 2.67   0.223% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  20.53 +/- 1.86   0.162% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.45, residual support = 113.7:
    * O T QG    LYS+  66 - QB    LYS+  66   2.07 +/- 0.02  80.099% * 64.3891% (1.00  10.0 10.00   4.45 118.00) =  95.794%  kept
        T HG    LEU   67 - QB    LYS+  66   5.20 +/- 0.86   6.926% * 24.1659% (0.38   1.0 10.00   4.75  15.26) =   3.109%  kept
          HB3   LEU   67 - QB    LYS+  66   5.26 +/- 0.56   5.551% * 10.5832% (0.95   1.0  1.00   3.48  15.26) =   1.091%  kept
          QB    ALA   61 - QB    LYS+  66   6.90 +/- 1.18   3.088% *  0.0538% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 102 - QB    LYS+  66  20.40 +/- 2.00   0.092% *  0.5585% (0.87   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QB    LYS+  66  11.27 +/- 2.29   1.627% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+  66  10.83 +/- 1.75   0.995% *  0.0313% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QB    LYS+  66  12.51 +/- 1.78   0.607% *  0.0339% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.45 +/- 1.09   0.319% *  0.0609% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  15.20 +/- 2.74   0.392% *  0.0391% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  17.15 +/- 1.99   0.160% *  0.0417% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  17.56 +/- 1.82   0.145% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 0.981, support = 4.66, residual support = 111.9:
    * O T QD    LYS+  66 - QB    LYS+  66   2.18 +/- 0.18  83.520% * 57.5492% (1.00  10.0 10.00   4.68 118.00) =  93.019%  kept
        T HG2   LYS+  65 - QB    LYS+  66   5.59 +/- 1.08   8.614% * 41.7893% (0.73   1.0 10.00   4.44  30.87) =   6.966%  kept
        T HD2   LYS+ 121 - QB    LYS+  66  12.63 +/- 3.73   1.176% *  0.4608% (0.80   1.0 10.00   0.02   0.02) =   0.010%
          HB3   LYS+ 121 - QB    LYS+  66  12.51 +/- 4.00   2.864% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+  66  16.24 +/- 3.33   1.124% *  0.0326% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QB    LYS+  66  11.14 +/- 2.64   1.199% *  0.0303% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QB    LYS+  66  11.19 +/- 1.73   0.806% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  14.45 +/- 1.69   0.388% *  0.0372% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  16.06 +/- 2.49   0.308% *  0.0395% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 118.0:
    *   T QE    LYS+  66 - QB    LYS+  66   3.30 +/- 0.53  89.588% * 99.6609% (1.00 10.00   4.43 118.00) =  99.994%  kept
          HB2   ASN   69 - QB    LYS+  66   9.02 +/- 1.45   8.653% *  0.0308% (0.31  1.00   0.02   0.02) =   0.003%
        T HB2   ASP-  76 - QB    LYS+  66  15.41 +/- 1.57   1.152% *  0.2219% (0.22 10.00   0.02   0.02) =   0.003%
          HB3   ASN   35 - QB    LYS+  66  19.95 +/- 2.50   0.607% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.984, support = 4.35, residual support = 116.2:
    * O T HA    LYS+  66 - QG    LYS+  66   2.54 +/- 0.42  74.969% * 92.8046% (1.00  10.0 10.00   4.34 118.00) =  98.232%  kept
        T HA    LYS+  66 - HG    LEU   67   5.53 +/- 1.36  17.522% *  7.1442% (0.08   1.0 10.00   4.79  15.26) =   1.767%  kept
          HA1   GLY   16 - QG    LYS+  66  10.93 +/- 3.17   1.466% *  0.0126% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67  10.59 +/- 4.98   5.181% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  20.66 +/- 2.30   0.177% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  21.67 +/- 1.93   0.193% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.69 +/- 2.66   0.258% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  20.73 +/- 2.45   0.233% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.981, support = 4.49, residual support = 114.8:
    * O T QB    LYS+  66 - QG    LYS+  66   2.07 +/- 0.02  71.330% * 79.2131% (1.00  10.0 10.00   4.45 118.00) =  96.459%  kept
          QB    LYS+  65 - QG    LYS+  66   4.70 +/- 1.11  13.011% * 13.0033% (0.57   1.0  1.00   5.80  30.87) =   2.888%  kept
        T QB    LYS+  66 - HG    LEU   67   5.20 +/- 0.86   6.195% *  6.0979% (0.08   1.0 10.00   4.75  15.26) =   0.645%  kept
        T HB    VAL   41 - QG    LYS+  66  14.51 +/- 2.00   0.256% *  0.7493% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU  123 - QG    LYS+  66  11.27 +/- 4.88   1.889% *  0.0448% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QG    LYS+  66  18.50 +/- 2.06   0.114% *  0.5441% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG    LEU   67  11.35 +/- 2.37   0.667% *  0.0577% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QG    LYS+  66  11.68 +/- 1.32   0.459% *  0.0417% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  17.32 +/- 3.79   0.339% *  0.0448% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.86 +/- 3.11   0.201% *  0.0710% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   6.90 +/- 1.35   2.977% *  0.0035% (0.04   1.0  1.00   0.02   0.45) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.51 +/- 2.29   0.136% *  0.0662% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  16.63 +/- 2.82   0.188% *  0.0419% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.40 +/- 2.07   1.378% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  15.38 +/- 5.41   0.373% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.31 +/- 2.49   0.248% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.25 +/- 3.01   0.136% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  20.73 +/- 3.25   0.105% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.99, support = 4.36, residual support = 115.6:
    * O T QD    LYS+  66 - QG    LYS+  66   2.10 +/- 0.03  68.197% * 79.6402% (1.00  10.0 10.00   4.36 118.00) =  97.338%  kept
          HG2   LYS+  65 - QG    LYS+  66   6.00 +/- 1.61   9.596% * 13.2179% (0.73   1.0  1.00   4.57  30.87) =   2.273%  kept
        T QD    LYS+  66 - HG    LEU   67   6.66 +/- 1.29   3.335% *  6.1308% (0.08   1.0 10.00   4.22  15.26) =   0.366%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  13.39 +/- 4.08   1.139% *  0.6377% (0.80   1.0 10.00   0.02   0.02) =   0.013%
          HB3   LYS+ 121 - QG    LYS+  66  13.28 +/- 4.30   4.324% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - QG    LYS+  66  17.14 +/- 3.81   2.468% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - HG    LEU   67  10.58 +/- 3.57   2.621% *  0.0230% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HG    LEU   67  15.46 +/- 4.75   0.738% *  0.0491% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QG    LYS+  66  11.91 +/- 2.67   0.644% *  0.0419% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  11.92 +/- 1.73   0.458% *  0.0299% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  14.79 +/- 1.80   0.240% *  0.0515% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  16.90 +/- 2.57   0.170% *  0.0547% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  11.40 +/- 4.28   2.601% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.36 +/- 1.71   1.751% *  0.0045% (0.06   1.0  1.00   0.02   0.45) =   0.000%
          HG    LEU  104 - HG    LEU   67  14.95 +/- 4.02   0.580% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  15.35 +/- 5.22   0.511% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  13.76 +/- 1.90   0.325% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  19.51 +/- 3.83   0.303% *  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 = 0.996, support = 3.81, residual support = 117.6:
    * O T QE    LYS+  66 - QG    LYS+  66   2.17 +/- 0.14  89.763% * 92.5373% (1.00  10.0 10.00   3.81 118.00) =  99.603%  kept
        T QE    LYS+  66 - HG    LEU   67   7.32 +/- 1.55   4.630% *  7.1236% (0.08   1.0 10.00   3.92  15.26) =   0.396%  kept
        T HB2   ASP-  76 - QG    LYS+  66  16.40 +/- 1.81   0.237% *  0.2060% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QG    LYS+  66   9.23 +/- 1.53   1.677% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   35 - QG    LYS+  66  20.45 +/- 2.18   0.133% *  0.0803% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  15.13 +/- 2.74   0.424% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   8.23 +/- 1.55   2.948% *  0.0022% (0.02   1.0  1.00   0.02   2.95) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.28 +/- 2.43   0.188% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 118.0:
    *   T HA    LYS+  66 - QD    LYS+  66   3.01 +/- 0.63  93.921% * 99.8184% (1.00 10.00   4.57 118.00) =  99.997%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  15.90 +/- 4.03   1.959% *  0.1241% (0.12 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QD    LYS+  66  11.63 +/- 2.46   2.315% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  21.41 +/- 2.81   0.438% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  22.14 +/- 2.15   0.323% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  21.02 +/- 3.75   0.531% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  26.51 +/- 4.78   0.311% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  25.52 +/- 2.64   0.202% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 0.961, support = 4.76, residual support = 110.2:
    * O T QB    LYS+  66 - QD    LYS+  66   2.18 +/- 0.18  76.824% * 63.5425% (1.00  10.0 10.00   4.68 118.00) =  91.100%  kept
        T QB    LYS+  65 - QD    LYS+  66   5.08 +/- 1.08  13.249% * 35.9749% (0.57   1.0 10.00   5.53  30.87) =   8.895%  kept
          HG    LEU  123 - QD    LYS+  66  11.41 +/- 4.88   2.774% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  66 - HD2   LYS+ 121  12.63 +/- 3.73   1.093% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  65 - HD2   LYS+ 121  14.37 +/- 2.62   0.481% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  12.59 +/- 1.26   0.475% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.40 +/- 1.83   0.259% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  17.50 +/- 3.60   0.365% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.19 +/- 3.44   0.220% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.31 +/- 2.06   0.153% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  19.16 +/- 2.16   0.146% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.64 +/- 0.71   1.376% *  0.0045% (0.07   1.0  1.00   0.02   2.24) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  15.63 +/- 5.76   0.639% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.11 +/- 5.36   0.641% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  18.98 +/- 4.47   0.564% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  17.57 +/- 4.23   0.245% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  16.88 +/- 5.62   0.306% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.21 +/- 1.98   0.190% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.989, support = 4.35, residual support = 115.7:
    * O T QG    LYS+  66 - QD    LYS+  66   2.10 +/- 0.03  81.190% * 65.9011% (1.00  10.0 10.00   4.36 118.00) =  97.725%  kept
        T HG    LEU   67 - QD    LYS+  66   6.66 +/- 1.29   3.937% * 24.7334% (0.38   1.0 10.00   4.22  15.26) =   1.778%  kept
          HB3   LEU   67 - QD    LYS+  66   6.88 +/- 0.87   3.050% *  8.7599% (0.95   1.0  1.00   2.81  15.26) =   0.488%  kept
          QB    ALA   61 - QD    LYS+  66   7.80 +/- 1.57   2.323% *  0.0550% (0.84   1.0  1.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HD2   LYS+ 121  13.39 +/- 4.08   1.417% *  0.0819% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU  115 - QD    LYS+  66  12.72 +/- 2.80   1.392% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  115 - HD2   LYS+ 121   9.84 +/- 1.19   0.883% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HD2   LYS+ 121  13.94 +/- 4.81   0.807% *  0.0399% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HD2   LYS+ 121  15.46 +/- 4.75   0.871% *  0.0308% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  16.16 +/- 3.32   0.577% *  0.0400% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.50 +/- 1.88   0.544% *  0.0321% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  14.88 +/- 1.08   0.242% *  0.0623% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  13.51 +/- 1.55   0.355% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  18.70 +/- 2.12   0.129% *  0.0426% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.97 +/- 2.10   0.077% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  12.84 +/- 2.15   0.563% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  15.44 +/- 4.49   0.465% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.00 +/- 2.41   0.401% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  19.90 +/- 3.77   0.197% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  19.16 +/- 2.11   0.121% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  19.45 +/- 6.20   0.175% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  23.42 +/- 3.49   0.094% *  0.0053% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  21.38 +/- 3.32   0.112% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  23.20 +/- 2.98   0.080% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.91, residual support = 118.0:
    * O T QE    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  94.453% * 99.4957% (1.00  10.0 10.00   3.91 118.00) =  99.997%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  14.42 +/- 4.52   1.530% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   ASP-  76 - QD    LYS+  66  16.81 +/- 2.17   0.214% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - QD    LYS+  66  10.01 +/- 1.70   1.413% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  21.24 +/- 2.63   0.117% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  15.94 +/- 5.99   2.108% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  23.17 +/- 3.10   0.085% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  25.14 +/- 4.79   0.080% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 118.0:
    *   T HA    LYS+  66 - QE    LYS+  66   3.97 +/- 0.80  76.860% * 99.7309% (1.00 10.00   4.36 118.00) =  99.993%  kept
        T HA    LYS+  66 - HB2   ASP-  76  17.17 +/- 2.66   1.927% *  0.2073% (0.21 10.00   0.02   0.02) =   0.005%
          HA1   GLY   16 - QE    LYS+  66  11.75 +/- 3.00   4.822% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - HB2   ASP-  76   8.39 +/- 1.11  12.261% *  0.0032% (0.03  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  66  21.82 +/- 2.74   0.761% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  22.91 +/- 2.28   0.668% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  22.79 +/- 4.82   1.702% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  19.65 +/- 4.71   0.999% *  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 = 0.981, support = 4.45, residual support = 114.2:
    *   T QB    LYS+  66 - QE    LYS+  66   3.30 +/- 0.53  59.684% * 87.4070% (1.00 10.00   4.43 118.00) =  95.611%  kept
          QB    LYS+  65 - QE    LYS+  66   5.87 +/- 1.37  20.102% * 11.8706% (0.57  1.00   4.80  30.87) =   4.373%  kept
          HG    LEU  123 - QE    LYS+  66  11.75 +/- 5.05   6.209% *  0.0495% (0.57  1.00   0.02   0.02) =   0.006%
        T QB    LYS+  66 - HB2   ASP-  76  15.41 +/- 1.57   0.771% *  0.1817% (0.21 10.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - QE    LYS+  66  17.90 +/- 3.56   0.777% *  0.0784% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QE    LYS+  66  17.94 +/- 3.72   1.135% *  0.0495% (0.57  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  66  12.90 +/- 1.79   1.217% *  0.0460% (0.53  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QE    LYS+  66  16.02 +/- 2.40   0.633% *  0.0827% (0.95  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HB2   ASP-  76  13.96 +/- 2.46   2.240% *  0.0172% (0.20  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  66  18.99 +/- 2.77   0.387% *  0.0730% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB2   ASP-  76  15.17 +/- 3.46   1.588% *  0.0163% (0.19  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  19.70 +/- 2.65   0.327% *  0.0600% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  13.29 +/- 2.79   1.630% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  17.23 +/- 2.64   0.905% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  18.77 +/- 4.60   0.923% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  19.50 +/- 2.77   0.558% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.53 +/- 2.02   0.683% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  25.04 +/- 3.42   0.231% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.36 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 = 0.988, support = 3.81, residual support = 115.7:
    * O T QG    LYS+  66 - QE    LYS+  66   2.17 +/- 0.14  71.553% * 65.4768% (1.00  10.0 10.00   3.81 118.00) =  97.714%  kept
        T HG    LEU   67 - QE    LYS+  66   7.32 +/- 1.55   3.707% * 24.5742% (0.38   1.0 10.00   3.92  15.26) =   1.900%  kept
          HB3   LEU   67 - QE    LYS+  66   7.67 +/- 0.83   1.948% *  9.3079% (0.95   1.0  1.00   3.01  15.26) =   0.378%  kept
          QB    ALA   61 - QE    LYS+  66   8.32 +/- 1.55   1.662% *  0.0547% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - HB2   ASP-  76   6.20 +/- 1.65   6.686% *  0.0088% (0.13   1.0  1.00   0.02   1.60) =   0.001%
          QB    ALA  110 - QE    LYS+  66  16.76 +/- 3.80   1.049% *  0.0397% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  66  13.08 +/- 2.30   0.879% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  66  13.55 +/- 2.90   0.846% *  0.0319% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T QG    LYS+  66 - HB2   ASP-  76  16.40 +/- 1.81   0.189% *  0.1361% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - HB2   ASP-  76  15.13 +/- 2.74   0.338% *  0.0511% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.35 +/- 1.61   6.831% *  0.0024% (0.04   1.0  1.00   0.02   1.60) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  13.87 +/- 1.83   0.411% *  0.0344% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  15.50 +/- 1.40   0.224% *  0.0619% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  11.86 +/- 2.96   1.059% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  10.50 +/- 2.14   0.829% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  19.41 +/- 2.58   0.128% *  0.0424% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  22.55 +/- 2.74   0.082% *  0.0568% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  14.65 +/- 2.35   0.316% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  22.39 +/- 3.68   0.235% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.15 +/- 3.66   0.356% *  0.0072% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  17.02 +/- 1.95   0.220% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  18.22 +/- 2.97   0.168% *  0.0083% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  19.89 +/- 2.36   0.112% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  17.45 +/- 2.27   0.173% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 3.91, residual support = 117.2:
    * O T QD    LYS+  66 - QE    LYS+  66   2.08 +/- 0.03  78.046% * 85.5711% (1.00  10.0 10.00   3.91 118.00) =  99.109%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.06 +/- 1.75   4.495% * 13.0499% (0.73   1.0  1.00   4.20  30.87) =   0.871%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  14.42 +/- 4.52   1.240% *  0.6852% (0.80   1.0 10.00   0.02   0.02) =   0.013%
          HB3   LYS+ 121 - QE    LYS+  66  14.20 +/- 4.76   3.939% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - QE    LYS+  66  18.14 +/- 4.29   2.226% *  0.0484% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+  74 - HB2   ASP-  76   7.30 +/- 2.12   3.668% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  66 - HB2   ASP-  76  16.81 +/- 2.17   0.177% *  0.1779% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.23 +/- 1.79   3.462% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  12.98 +/- 2.77   0.473% *  0.0450% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  15.72 +/- 2.04   0.247% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  13.10 +/- 1.91   0.367% *  0.0321% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  18.26 +/- 3.32   0.181% *  0.0588% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  23.17 +/- 3.10   0.070% *  0.1425% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  10.87 +/- 3.33   0.787% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  15.13 +/- 3.41   0.339% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  20.60 +/- 3.41   0.135% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.14 +/- 2.03   0.083% *  0.0101% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  23.43 +/- 3.25   0.065% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.2:
    * O T HB2   PRO   68 - HA    PRO   68   2.69 +/- 0.13  98.372% * 98.6006% (0.84  10.0 10.00   2.00  36.22) =  99.994%  kept
        T HB    VAL   24 - HA    PRO   68  21.19 +/- 4.15   0.412% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.005%
          HG3   GLU- 100 - HA    PRO   68  17.43 +/- 3.47   0.678% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLN   32 - HA    PRO   68  18.30 +/- 3.07   0.538% *  0.1157% (0.98   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 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.2:
    * O T HA    PRO   68 - HB2   PRO   68   2.69 +/- 0.13  99.582% * 99.1920% (0.84  10.0 10.00   2.00  36.22) =  99.997%  kept
        T HA    PRO   68 - HB    VAL   24  21.19 +/- 4.15   0.418% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.003%
    Distance limit 3.47 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 = 3.63, residual support = 61.0:
    * O T HB2   ASN   69 - HA    ASN   69   2.52 +/- 0.18  95.702% * 99.7955% (1.00  10.0 10.00   3.63  60.99) =  99.998%  kept
          QE    LYS+  66 - HA    ASN   69   9.87 +/- 1.92   2.520% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HA    ASN   69  18.39 +/- 3.43   0.402% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  12.97 +/- 2.68   1.132% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  22.28 +/- 4.25   0.244% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.0:
    * O T HB3   ASN   69 - HA    ASN   69   2.72 +/- 0.25  96.036% * 99.7714% (1.00  10.0 10.00   3.31  60.99) =  99.997%  kept
          HB2   PHE   72 - HA    ASN   69  10.08 +/- 0.92   2.035% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          QE    LYS+  74 - HA    ASN   69  13.12 +/- 2.28   1.568% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HA    ASN   69  19.83 +/- 3.79   0.360% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.0:
    * O T HA    ASN   69 - HB2   ASN   69   2.52 +/- 0.18  99.021% * 99.8126% (1.00  10.0 10.00   3.63  60.99) =  99.999%  kept
          HA    VAL   43 - HB2   ASN   69  13.84 +/- 1.80   0.769% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB2   ASN   69  21.08 +/- 2.95   0.210% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.0:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.276% * 99.7714% (1.00  10.0 10.00   3.97  60.99) =  99.999%  kept
          HB2   PHE   72 - HB2   ASN   69  11.45 +/- 0.76   0.374% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  14.54 +/- 2.00   0.261% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  20.70 +/- 3.63   0.089% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.0:
    * O T HA    ASN   69 - HB3   ASN   69   2.72 +/- 0.25  98.469% * 99.8126% (1.00  10.0 10.00   3.31  60.99) =  99.999%  kept
          HA    VAL   43 - HB3   ASN   69  13.58 +/- 1.90   1.241% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS   22 - HB3   ASN   69  20.82 +/- 2.81   0.291% *  0.0978% (0.98   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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.0:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  98.325% * 99.7955% (1.00  10.0 10.00   3.97  60.99) =  99.999%  kept
          QE    LYS+  66 - HB3   ASN   69  10.03 +/- 2.24   1.009% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  19.63 +/- 2.92   0.101% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  14.12 +/- 3.03   0.501% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  23.38 +/- 3.69   0.065% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.999, support = 4.31, residual support = 81.9:
    * O T HB    VAL   70 - HA    VAL   70   2.88 +/- 0.22  76.762% * 97.2460% (1.00  10.0 10.00   4.31  81.95) =  99.945%  kept
        T QG    GLN   17 - HA    VAL   70  10.13 +/- 2.78   3.306% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.043%
        T QG    GLN   17 - HA    SER   48  17.93 +/- 6.02   0.708% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HA    SER   48  17.86 +/- 2.93   0.571% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    VAL   70  11.56 +/- 1.54   1.470% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   70 - HB2   SER   82  21.00 +/- 1.96   0.226% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QG    GLN   17 - HB2   SER   82  22.31 +/- 3.89   0.191% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82  14.14 +/- 6.43   1.620% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70  12.74 +/- 2.44   1.791% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48  10.87 +/- 4.78   7.197% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   SER   82  13.98 +/- 1.68   0.830% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  11.81 +/- 1.30   1.285% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.21 +/- 1.74   0.263% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.10 +/- 1.49   1.732% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  17.24 +/- 1.97   0.459% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  16.16 +/- 1.88   0.555% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  20.89 +/- 5.70   0.429% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  22.40 +/- 3.56   0.227% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  24.51 +/- 3.84   0.185% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  28.05 +/- 2.77   0.105% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  28.83 +/- 2.94   0.086% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.995, support = 4.86, residual support = 79.3:
    * O T QG1   VAL   70 - HA    VAL   70   2.59 +/- 0.31  60.517% * 79.5572% (1.00  10.0 10.00   4.86  81.95) =  94.472%  kept
          QD1   LEU   71 - HA    VAL   70   5.10 +/- 0.84  15.415% * 18.0523% (0.92   1.0  1.00   4.92  34.42) =   5.460%  kept
        T QG1   VAL   18 - HA    VAL   70   8.27 +/- 2.27   2.496% *  0.7798% (0.98   1.0 10.00   0.02   0.02) =   0.038%
          HB3   LEU   63 - HA    VAL   70   7.84 +/- 2.32  13.928% *  0.0450% (0.57   1.0  1.00   0.02   0.02) =   0.012%
        T QG1   VAL   18 - HA    SER   48  12.90 +/- 4.91   1.549% *  0.1777% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T QG1   VAL   18 - HB2   SER   82  16.56 +/- 4.49   0.368% *  0.3779% (0.47   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   70 - HA    SER   48  15.56 +/- 2.57   0.519% *  0.1812% (0.23   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    VAL   70  12.59 +/- 4.22   1.276% *  0.0734% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  123 - HA    SER   48  18.47 +/- 3.51   0.492% *  0.1673% (0.21   1.0 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   70 - HB2   SER   82  18.21 +/- 1.58   0.207% *  0.3855% (0.48   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HA    VAL   70  12.24 +/- 2.74   1.091% *  0.0483% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HB2   SER   82  18.31 +/- 3.33   0.333% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  15.02 +/- 3.94   1.041% *  0.0103% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.09 +/- 3.40   0.261% *  0.0167% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  21.14 +/- 3.58   0.153% *  0.0234% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  21.59 +/- 2.89   0.153% *  0.0218% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  24.84 +/- 2.14   0.091% *  0.0356% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  23.51 +/- 3.09   0.110% *  0.0110% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 81.9:
    * O T QG2   VAL   70 - HA    VAL   70   2.37 +/- 0.32  98.882% * 99.2926% (0.80  10.0 10.00   4.00  81.95) =  99.996%  kept
        T QG2   VAL   70 - HB2   SER   82  16.64 +/- 1.59   0.375% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   70 - HA    SER   48  14.92 +/- 2.07   0.743% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.31, residual support = 81.6:
    * O T HA    VAL   70 - HB    VAL   70   2.88 +/- 0.22  56.605% * 95.1923% (1.00  10.0 10.00   4.31  81.95) =  99.165%  kept
          HA    VAL   18 - QG    GLN   17   4.86 +/- 0.69  14.098% *  2.7291% (0.13   1.0  1.00   4.49  50.22) =   0.708%  kept
          HA1   GLY   16 - QG    GLN   17   5.18 +/- 0.48  11.077% *  0.5038% (0.04   1.0  1.00   2.88  17.66) =   0.103%  kept
        T HA    VAL   70 - QG    GLN   17  10.13 +/- 2.78   2.374% *  0.1768% (0.19   1.0 10.00   0.02   0.02) =   0.008%
          HA    VAL   18 - HB    VAL   70   7.93 +/- 3.32   6.261% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.008%
        T HA    SER   48 - HB    VAL   70  17.86 +/- 2.93   0.411% *  0.2374% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   SER   82 - HB    VAL   70  21.00 +/- 1.96   0.167% *  0.5774% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB    VAL   70  13.77 +/- 3.33   0.940% *  0.0952% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - HB    VAL   70  11.63 +/- 1.36   1.074% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70   9.87 +/- 3.90   2.394% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB    VAL   70  15.79 +/- 1.28   0.386% *  0.0826% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG    GLN   17  17.93 +/- 6.02   0.521% *  0.0441% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.23 +/- 1.55   0.303% *  0.0691% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  22.31 +/- 3.89   0.140% *  0.1072% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  12.43 +/- 3.55   1.376% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  15.90 +/- 2.61   0.922% *  0.0128% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.04 +/- 2.54   0.540% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  17.85 +/- 2.90   0.411% *  0.0177% (0.19   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 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 5.24, residual support = 81.3:
    * O T QG1   VAL   70 - HB    VAL   70   2.12 +/- 0.02  67.526% * 77.7673% (1.00  10.0 10.00   5.25  81.95) =  98.463%  kept
          QD1   LEU   71 - HB    VAL   70   6.84 +/- 0.74   2.536% * 18.6665% (0.92   1.0  1.00   5.20  34.42) =   0.887%  kept
          QG1   VAL   18 - QG    GLN   17   5.06 +/- 0.92  10.675% *  3.1388% (0.18   1.0  1.00   4.43  50.22) =   0.628%  kept
          HB3   LEU   63 - HB    VAL   70   5.85 +/- 1.73   8.524% *  0.0440% (0.57   1.0  1.00   0.02   0.02) =   0.007%
        T QG1   VAL   70 - QG    GLN   17   8.46 +/- 2.30   2.590% *  0.1445% (0.19   1.0 10.00   0.02   0.02) =   0.007%
          QG1   VAL   18 - HB    VAL   70   7.12 +/- 2.77   3.365% *  0.0762% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - HB    VAL   70  11.80 +/- 3.79   0.897% *  0.0718% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG    GLN   17   8.53 +/- 3.05   2.255% *  0.0133% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB    VAL   70  12.81 +/- 2.45   0.468% *  0.0472% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  14.17 +/- 3.34   0.410% *  0.0133% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.80 +/- 1.77   0.651% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.36 +/- 2.24   0.104% *  0.0088% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.9:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  97.700% * 99.8146% (0.80  10.0 10.00   4.31  81.95) =  99.996%  kept
        T QG2   VAL   70 - QG    GLN   17   8.75 +/- 2.08   2.300% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.86, residual support = 81.9:
    * O T HA    VAL   70 - QG1   VAL   70   2.59 +/- 0.31  80.377% * 98.1637% (1.00  10.0 10.00   4.86  81.95) =  99.913%  kept
        T HA    VAL   18 - QG1   VAL   70   7.67 +/- 2.47   8.891% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.076%
          HA    GLN  116 - QG1   VAL   70  11.11 +/- 2.98   2.721% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   SER   82 - QG1   VAL   70  18.21 +/- 1.58   0.272% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG1   VAL   70  15.56 +/- 2.57   0.659% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   8.64 +/- 3.16   4.410% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - QG1   VAL   70  10.15 +/- 1.21   1.560% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   70  13.86 +/- 1.34   0.614% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   70  15.19 +/- 1.72   0.496% *  0.0713% (0.73   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 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 81.9:
    * O T HB    VAL   70 - QG1   VAL   70   2.12 +/- 0.02  93.105% * 98.7774% (1.00  10.0 10.00   5.25  81.95) =  99.960%  kept
        T QG    GLN   17 - QG1   VAL   70   8.46 +/- 2.30   3.579% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.038%
          HB2   MET   96 - QG1   VAL   70   9.55 +/- 1.33   1.244% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG1   VAL   70  11.86 +/- 2.10   0.840% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  17.72 +/- 1.91   0.199% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  11.59 +/- 1.23   0.670% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  14.11 +/- 1.58   0.364% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.87, residual support = 81.9:
    * O T QG2   VAL   70 - QG1   VAL   70   2.05 +/- 0.06 100.000% *100.0000% (0.80  10.0 10.00   4.87  81.95) = 100.000%  kept
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 3.99, residual support = 81.8:
    * O T HA    VAL   70 - QG2   VAL   70   2.37 +/- 0.32  79.457% * 97.4025% (0.54  10.0 10.00   4.00  81.95) =  99.770%  kept
          HA    VAL   18 - QG2   VAL   70   6.97 +/- 2.58  11.847% *  1.4445% (0.37   1.0  1.00   0.43   0.02) =   0.221%  kept
        T HB2   SER   82 - QG2   VAL   70  16.64 +/- 1.59   0.300% *  0.5908% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T HA    SER   48 - QG2   VAL   70  14.92 +/- 2.07   0.577% *  0.2429% (0.13   1.0 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - QG2   VAL   70  11.39 +/- 2.88   1.217% *  0.0974% (0.54   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   37 - QG2   VAL   70   9.27 +/- 1.25   2.169% *  0.0474% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   16 - QG2   VAL   70   8.85 +/- 2.95   3.212% *  0.0193% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG2   VAL   70  12.42 +/- 1.23   0.708% *  0.0845% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG2   VAL   70  13.51 +/- 1.28   0.513% *  0.0707% (0.39   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 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 81.9:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  93.167% * 98.7774% (0.54  10.0 10.00   4.31  81.95) =  99.974%  kept
        T QG    GLN   17 - QG2   VAL   70   8.75 +/- 2.08   2.193% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.023%
          HB2   MET   96 - QG2   VAL   70   8.06 +/- 1.34   2.229% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QG2   VAL   70  10.89 +/- 1.93   1.017% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.20 +/- 1.20   0.228% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.87 +/- 0.88   0.735% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  13.05 +/- 0.96   0.431% *  0.0246% (0.13   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 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.87, residual support = 81.0:
    * O T QG1   VAL   70 - QG2   VAL   70   2.05 +/- 0.06  72.104% * 78.0149% (0.54  10.0 10.00   4.87  81.95) =  98.194%  kept
          QD1   LEU   71 - QG2   VAL   70   5.38 +/- 0.68   4.769% * 20.1942% (0.50   1.0  1.00   5.61  34.42) =   1.681%  kept
          QG1   VAL   18 - QG2   VAL   70   6.29 +/- 1.94   3.845% *  1.6273% (0.53   1.0  1.00   0.43   0.02) =   0.109%  kept
          HB3   LEU   63 - QG2   VAL   70   5.23 +/- 1.56  16.632% *  0.0442% (0.30   1.0  1.00   0.02   0.02) =   0.013%
          QD1   LEU  123 - QG2   VAL   70   9.89 +/- 3.13   1.290% *  0.0720% (0.50   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - QG2   VAL   70   9.34 +/- 2.02   1.360% *  0.0473% (0.33   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 137.8:
    * O T HB2   LEU   71 - HA    LEU   71   2.80 +/- 0.26  81.966% * 99.5520% (1.00  10.0 10.00   5.31 137.77) =  99.987%  kept
          HB3   GLN   17 - HA    LEU   71   9.19 +/- 4.41   6.966% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HA    LEU   71   9.99 +/- 1.48   2.525% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   41 - HA    LEU   71   8.27 +/- 1.49   4.276% *  0.0340% (0.34   1.0  1.00   0.02   3.11) =   0.002%
          QB    LYS+  66 - HA    LEU   71   9.68 +/- 1.05   2.269% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    LEU   71  14.84 +/- 2.09   0.802% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    LEU   71  19.31 +/- 3.18   0.321% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  13.61 +/- 2.29   0.875% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 137.8:
    * O T HB3   LEU   71 - HA    LEU   71   2.55 +/- 0.24  95.693% * 99.6783% (1.00  10.0 10.00   4.31 137.77) =  99.997%  kept
          HD2   LYS+ 112 - HA    LEU   71  17.74 +/- 4.61   1.652% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HA    LEU   71  13.26 +/- 2.28   1.342% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HA    LEU   71  19.30 +/- 4.56   0.683% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  17.88 +/- 2.15   0.370% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  22.71 +/- 4.74   0.260% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.09, residual support = 127.3:
    *   T QD1   LEU   71 - HA    LEU   71   3.81 +/- 0.24  49.543% * 80.8266% (1.00 10.00   4.01 137.77) =  89.914%  kept
          QG1   VAL   70 - HA    LEU   71   5.18 +/- 0.72  24.356% * 18.0195% (0.92  1.00   4.83  34.42) =   9.854%  kept
          HB3   LEU   63 - HA    LEU   71   9.24 +/- 2.14   7.719% *  0.6913% (0.34  1.00   0.50   0.02) =   0.120%  kept
          QG1   VAL   18 - HA    LEU   71   6.63 +/- 2.89  15.033% *  0.3143% (0.84  1.00   0.09   0.02) =   0.106%  kept
          QD1   LEU  123 - HA    LEU   71  14.36 +/- 3.92   1.637% *  0.0808% (1.00  1.00   0.02   0.02) =   0.003%
          HB3   LEU  104 - HA    LEU   71  14.40 +/- 2.55   1.713% *  0.0675% (0.84  1.00   0.02   0.02) =   0.003%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.96, residual support = 136.6:
    *   T QD2   LEU   71 - HA    LEU   71   2.42 +/- 0.55  59.744% * 95.2075% (1.00 10.00   5.00 137.77) =  99.129%  kept
          QD1   LEU   67 - HA    LEU   71   5.57 +/- 2.23  25.807% *  1.6940% (0.45  1.00   0.79   0.02) =   0.762%  kept
          HG3   LYS+  74 - HA    LEU   71  10.95 +/- 1.72   2.001% *  2.8296% (0.69  1.00   0.87   0.24) =   0.099%
          QD2   LEU   40 - HA    LEU   71   6.96 +/- 1.28   9.143% *  0.0391% (0.41  1.00   0.02   1.73) =   0.006%
          QD1   ILE  103 - HA    LEU   71  12.23 +/- 1.97   0.930% *  0.0933% (0.98  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HA    LEU   71  13.04 +/- 3.73   1.025% *  0.0826% (0.87  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    LEU   71  12.55 +/- 2.46   1.351% *  0.0539% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 5.31 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 = 137.8:
    * O T HA    LEU   71 - HB2   LEU   71   2.80 +/- 0.26  91.160% * 99.9402% (1.00  10.0 10.00   5.31 137.77) =  99.998%  kept
          HA    VAL   43 - HB2   LEU   71   9.79 +/- 2.21   7.404% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - HB2   LEU   71  12.04 +/- 1.73   1.436% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 137.8:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  98.387% * 99.6783% (1.00  10.0 10.00   4.97 137.77) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LEU   71  18.81 +/- 5.33   0.685% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LEU   71  13.63 +/- 2.94   0.417% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  20.24 +/- 5.31   0.296% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  18.31 +/- 2.96   0.121% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  23.29 +/- 5.63   0.094% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 4.97, residual support = 135.9:
    * O T QD1   LEU   71 - HB2   LEU   71   2.34 +/- 0.17  85.816% * 79.7098% (1.00  10.0 10.00   4.97 137.77) =  98.185%  kept
          QG1   VAL   70 - HB2   LEU   71   5.98 +/- 0.75   6.287% * 20.0501% (0.92   1.0  1.00   5.45  34.42) =   1.809%  kept
          QG1   VAL   18 - HB2   LEU   71   8.43 +/- 2.38   2.518% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  104 - HB2   LEU   71  13.49 +/- 2.92   1.508% *  0.0666% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU   71  10.73 +/- 2.26   3.220% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB2   LEU   71  14.85 +/- 4.15   0.650% *  0.0797% (1.00   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 5.4, residual support = 136.9:
    * O T QD2   LEU   71 - HB2   LEU   71   3.02 +/- 0.36  66.319% * 96.7391% (1.00  10.0 10.00   5.43 137.77) =  99.365%  kept
          QD1   LEU   67 - HB2   LEU   71   7.32 +/- 1.89  12.119% *  1.7212% (0.45   1.0  1.00   0.79   0.02) =   0.323%  kept
          QD2   LEU   40 - HB2   LEU   71   6.28 +/- 1.58  15.872% *  1.2398% (0.41   1.0  1.00   0.62   1.73) =   0.305%  kept
          QD1   ILE  103 - HB2   LEU   71  11.67 +/- 1.88   1.753% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  119 - HB2   LEU   71  13.76 +/- 3.92   1.391% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HB2   LEU   71  12.01 +/- 2.54   1.608% *  0.0548% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   LEU   71  13.07 +/- 1.69   0.938% *  0.0665% (0.69   1.0  1.00   0.02   0.24) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 137.8:
    * O T HA    LEU   71 - HB3   LEU   71   2.55 +/- 0.24  92.523% * 99.9402% (1.00  10.0 10.00   4.31 137.77) =  99.998%  kept
          HA    VAL   43 - HB3   LEU   71  10.04 +/- 2.05   6.105% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HB3   LEU   71  11.35 +/- 1.69   1.373% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 137.8:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  95.984% * 99.3538% (1.00  10.0 10.00   4.97 137.77) =  99.997%  kept
          HB3   GLN   17 - HB3   LEU   71  10.31 +/- 4.28   1.398% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG12  ILE  103 - HB3   LEU   71  13.70 +/- 2.07   0.268% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HB3   LEU   71  11.55 +/- 1.56   0.434% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU   71   8.33 +/- 1.15   1.076% *  0.0339% (0.34   1.0  1.00   0.02   3.11) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.18 +/- 1.50   0.488% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  14.38 +/- 2.20   0.249% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.62 +/- 3.95   0.102% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 3.72, residual support = 136.0:
    * O T QD1   LEU   71 - HB3   LEU   71   2.42 +/- 0.31  83.253% * 81.5362% (1.00  10.0 10.00   3.70 137.77) =  98.295%  kept
          QG1   VAL   70 - HB3   LEU   71   6.21 +/- 0.75   6.435% * 18.2183% (0.92   1.0  1.00   4.84  34.42) =   1.698%  kept
          QG1   VAL   18 - HB3   LEU   71   8.02 +/- 2.28   3.513% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   63 - HB3   LEU   71  10.81 +/- 2.74   5.391% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB3   LEU   71  15.08 +/- 4.34   0.727% *  0.0815% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU   71  14.33 +/- 2.82   0.682% *  0.0681% (0.84   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 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.42, residual support = 137.3:
    * O T QD2   LEU   71 - HB3   LEU   71   2.60 +/- 0.31  68.155% * 97.4879% (1.00  10.0 10.00   4.43 137.77) =  99.632%  kept
          QD1   LEU   67 - HB3   LEU   71   7.20 +/- 2.03   8.687% *  1.7346% (0.45   1.0  1.00   0.79   0.02) =   0.226%  kept
          QD2   LEU   40 - HB3   LEU   71   6.81 +/- 1.87  19.268% *  0.4753% (0.41   1.0  1.00   0.24   1.73) =   0.137%  kept
          QG2   ILE  119 - HB3   LEU   71  13.96 +/- 4.15   1.373% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB3   LEU   71  12.26 +/- 1.81   0.824% *  0.0956% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB3   LEU   71  12.67 +/- 2.40   0.963% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB3   LEU   71  12.68 +/- 1.70   0.731% *  0.0670% (0.69   1.0  1.00   0.02   0.24) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.01, residual support = 137.8:
    *   T HA    LEU   71 - QD1   LEU   71   3.81 +/- 0.24  80.954% * 99.9402% (1.00 10.00   4.01 137.77) =  99.994%  kept
          HA    VAL   43 - QD1   LEU   71   9.89 +/- 2.13  15.069% *  0.0223% (0.22  1.00   0.02   0.02) =   0.004%
          HA    ALA   20 - QD1   LEU   71  10.95 +/- 1.29   3.977% *  0.0375% (0.38  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   2.34 +/- 0.17  88.085% * 99.5520% (1.00  10.0 10.00   4.97 137.77) =  99.992%  kept
          HB3   GLN   17 - QD1   LEU   71   9.36 +/- 3.54   3.127% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - QD1   LEU   71   8.08 +/- 1.32   3.697% *  0.0340% (0.34   1.0  1.00   0.02   3.11) =   0.001%
          QB    LYS+  65 - QD1   LEU   71  10.94 +/- 1.34   1.029% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD1   LEU   71  12.30 +/- 2.11   0.947% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU   71  10.29 +/- 1.55   1.583% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - QD1   LEU   71  18.37 +/- 4.04   0.425% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.07 +/- 2.45   1.108% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 137.8:
    * O T HB3   LEU   71 - QD1   LEU   71   2.42 +/- 0.31  94.322% * 99.6783% (1.00  10.0 10.00   3.70 137.77) =  99.996%  kept
          QG2   THR   94 - QD1   LEU   71  12.64 +/- 3.07   2.778% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - QD1   LEU   71  17.14 +/- 4.76   0.930% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD1   LEU   71  18.18 +/- 4.93   0.778% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD1   LEU   71  20.67 +/- 5.43   0.574% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  16.74 +/- 3.15   0.618% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 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 = 0.998, support = 4.12, residual support = 137.3:
    * O T QD2   LEU   71 - QD1   LEU   71   2.02 +/- 0.07  78.187% * 97.8132% (1.00  10.0 10.00   4.14 137.77) =  99.643%  kept
          QD2   LEU   40 - QD1   LEU   71   6.12 +/- 1.76  14.636% *  1.8397% (0.41   1.0  1.00   0.91   1.73) =   0.351%  kept
          QD1   LEU   67 - QD1   LEU   71   7.29 +/- 1.70   3.193% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - QD1   LEU   71  12.16 +/- 4.25   1.603% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - QD1   LEU   71  10.73 +/- 2.14   1.016% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD1   LEU   71  11.07 +/- 2.72   0.965% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - QD1   LEU   71  12.21 +/- 1.33   0.399% *  0.0672% (0.69   1.0  1.00   0.02   0.24) =   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   2.42 +/- 0.55  90.781% * 99.9402% (1.00 10.00   5.00 137.77) =  99.997%  kept
          HA    VAL   43 - QD2   LEU   71   8.88 +/- 1.59   6.355% *  0.0223% (0.22  1.00   0.02   0.02) =   0.002%
          HA    ALA   20 - QD2   LEU   71   9.18 +/- 1.73   2.864% *  0.0375% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 137.7:
    * O T HB2   LEU   71 - QD2   LEU   71   3.02 +/- 0.36  66.239% * 99.3538% (1.00  10.0 10.00   5.43 137.77) =  99.964%  kept
          HB3   GLN   17 - QD2   LEU   71   7.85 +/- 3.93  15.256% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.015%
        T HG12  ILE  103 - QD2   LEU   71  12.33 +/- 2.44   1.468% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - QD2   LEU   71   9.54 +/- 1.46   3.174% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - QD2   LEU   71   9.28 +/- 1.59   4.741% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+ 102 - QD2   LEU   71  12.95 +/- 2.40   2.467% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   41 - QD2   LEU   71   8.07 +/- 1.52   5.879% *  0.0339% (0.34   1.0  1.00   0.02   3.11) =   0.003%
          HG2   PRO   93 - QD2   LEU   71  17.18 +/- 3.64   0.777% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 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   2.60 +/- 0.31  89.938% * 99.2790% (1.00  10.0 10.00   4.43 137.77) =  99.989%  kept
          HD2   LYS+ 112 - QD2   LEU   71  15.94 +/- 4.65   3.085% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   94 - QD2   LEU   71  12.03 +/- 2.71   4.153% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 111 - QD2   LEU   71  19.87 +/- 4.93   0.616% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - QD2   LEU   71  17.11 +/- 4.63   1.482% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QD2   LEU   71  16.03 +/- 2.51   0.725% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.10 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.14, residual support = 136.0:
    * O T QD1   LEU   71 - QD2   LEU   71   2.02 +/- 0.07  81.194% * 81.0025% (1.00  10.0 10.00   4.14 137.77) =  98.308%  kept
          QG1   VAL   70 - QD2   LEU   71   5.50 +/- 0.97   5.969% * 18.0884% (0.92   1.0  1.00   4.84  34.42) =   1.614%  kept
          HB3   LEU   63 - QD2   LEU   71   9.09 +/- 2.21   6.947% *  0.6928% (0.34   1.0  1.00   0.50   0.02) =   0.072%
          QG1   VAL   18 - QD2   LEU   71   6.43 +/- 1.97   3.615% *  0.0677% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QD1   LEU  123 - QD2   LEU   71  12.55 +/- 4.13   1.051% *  0.0810% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - QD2   LEU   71  12.84 +/- 2.88   1.224% *  0.0677% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 3.97, residual support = 89.8:
    * O T HB2   PHE   72 - HA    PHE   72   2.54 +/- 0.15  91.124% * 93.3203% (0.64  10.0 10.00   3.99  90.10) =  99.402%  kept
          HA    ALA   64 - HA    PHE   72   6.63 +/- 0.87   7.698% *  6.6378% (0.55   1.0  1.00   1.64  46.61) =   0.597%  kept
          HB3   ASN   69 - HA    PHE   72  11.23 +/- 0.68   1.178% *  0.0419% (0.29   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.53, residual support = 89.9:
    * O T HB3   PHE   72 - HA    PHE   72   2.59 +/- 0.16  83.280% * 97.4713% (0.66  10.0 10.00   4.54  90.10) =  99.771%  kept
          HB2   ASP-  44 - HA    PHE   72   7.68 +/- 2.12   8.695% *  2.0659% (0.72   1.0  1.00   0.39   0.02) =   0.221%  kept
          QG    GLU-  15 - HA    PHE   72  10.14 +/- 3.40   3.022% *  0.1114% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - HA    PHE   72  12.00 +/- 3.45   1.829% *  0.1037% (0.71   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    PHE   72  14.52 +/- 4.03   1.312% *  0.0504% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    MET   11 - HA    PHE   72  17.14 +/- 4.28   0.618% *  0.0900% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - HA    PHE   72  18.22 +/- 1.88   0.311% *  0.0900% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  12.83 +/- 2.48   0.933% *  0.0173% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 3.99, residual support = 90.1:
    * O T HA    PHE   72 - HB2   PHE   72   2.54 +/- 0.15 100.000% *100.0000% (0.64  10.0 10.00   3.99  90.10) = 100.000%  kept
    Distance limit 3.98 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 = 4.23, residual support = 90.1:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  95.133% * 99.4196% (0.72  10.0 10.00   4.23  90.10) =  99.995%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.64 +/- 1.36   2.616% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - HB2   PHE   72  10.90 +/- 2.42   0.622% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HB2   PHE   72  12.67 +/- 2.72   0.433% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  13.38 +/- 3.25   0.629% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  17.74 +/- 3.84   0.193% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  17.52 +/- 1.52   0.102% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  13.46 +/- 2.13   0.271% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.54, residual support = 90.1:
    * O T HA    PHE   72 - HB3   PHE   72   2.59 +/- 0.16 100.000% *100.0000% (0.66  10.0 10.00   4.54  90.10) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 4.22, residual support = 89.6:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  91.839% * 88.1582% (0.72  10.0 10.00   4.23  90.10) =  98.898%  kept
          HA    ALA   64 - HB3   PHE   72   5.31 +/- 0.99   7.641% * 11.8022% (0.63   1.0  1.00   3.08  46.61) =   1.102%  kept
          HB3   ASN   69 - HB3   PHE   72  10.10 +/- 0.85   0.520% *  0.0396% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 173.0:
    * O T HB2   LEU   73 - HA    LEU   73   2.53 +/- 0.20  94.428% * 99.4108% (1.00  10.0 10.00   5.00 172.97) =  99.996%  kept
          HG3   PRO   93 - HA    LEU   73  16.16 +/- 3.33   0.936% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LEU   73  16.01 +/- 2.07   0.585% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LEU   73  16.57 +/- 2.44   0.552% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LEU   73  14.99 +/- 2.09   0.555% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    LEU   73  13.49 +/- 2.66   1.476% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.17 +/- 4.87   0.339% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  17.71 +/- 3.03   0.409% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  21.02 +/- 3.91   0.247% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.83 +/- 2.05   0.473% *  0.0221% (0.22   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 0.994, support = 5.24, residual support = 171.8:
    * O T HB3   LEU   73 - HA    LEU   73   2.51 +/- 0.29  73.847% * 93.1962% (1.00  10.0 10.00   5.25 172.97) =  99.169%  kept
          HB3   LYS+  74 - HA    LEU   73   4.73 +/- 0.38  13.503% *  3.5694% (0.18   1.0  1.00   4.37  41.36) =   0.695%  kept
          HB    VAL   42 - HA    LEU   73   8.03 +/- 1.52   3.479% *  2.5658% (0.99   1.0  1.00   0.56   0.45) =   0.129%  kept
          HG3   LYS+  33 - HA    LEU   73  11.44 +/- 2.64   1.210% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    LEU   73  11.45 +/- 2.08   1.093% *  0.0924% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HA    LEU   73  14.47 +/- 4.03   1.435% *  0.0603% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    LEU   73  17.43 +/- 4.74   0.562% *  0.0914% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HA    LEU   73  11.60 +/- 1.95   1.232% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    LEU   73  14.32 +/- 3.33   0.873% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.34 +/- 2.25   0.347% *  0.0860% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.33 +/- 2.51   0.252% *  0.0930% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.10 +/- 2.09   0.714% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  13.72 +/- 2.45   0.832% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.60 +/- 3.90   0.409% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  20.14 +/- 3.90   0.210% *  0.0163% (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 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.23, residual support = 171.2:
    *   T QD1   LEU   73 - HA    LEU   73   3.55 +/- 0.48  71.806% * 86.6241% (1.00 10.00   5.28 172.97) =  98.996%  kept
        T QD1   LEU   63 - HA    LEU   73   9.48 +/- 1.28   4.726% * 11.9377% (1.00 10.00   0.28   0.02) =   0.898%  kept
          QD2   LEU   63 - HA    LEU   73   8.86 +/- 1.29   6.045% *  0.7909% (0.57  1.00   0.32   0.02) =   0.076%
        T QD1   LEU  104 - HA    LEU   73  14.06 +/- 2.25   1.944% *  0.4904% (0.57 10.00   0.02   0.02) =   0.015%
          QD2   LEU   80 - HA    LEU   73   8.50 +/- 1.96   7.608% *  0.0694% (0.80  1.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HA    LEU   73  12.75 +/- 3.16   4.455% *  0.0724% (0.84  1.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HA    LEU   73  10.49 +/- 1.59   3.415% *  0.0152% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 172.9:
    *   T QD2   LEU   73 - HA    LEU   73   3.02 +/- 0.54  76.716% * 99.4036% (1.00 10.00   6.20 172.97) =  99.980%  kept
          HG    LEU   31 - HA    LEU   73   9.45 +/- 2.02   4.018% *  0.0959% (0.97  1.00   0.02   1.62) =   0.005%
          QD1   ILE   56 - HA    LEU   73  12.70 +/- 2.51   3.541% *  0.0891% (0.90  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 121 - HA    LEU   73  19.83 +/- 4.18   0.833% *  0.3391% (0.34 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    LEU   73   7.50 +/- 1.94   9.229% *  0.0276% (0.28  1.00   0.02   2.76) =   0.003%
          QG1   VAL   41 - HA    LEU   73   8.42 +/- 1.75   5.663% *  0.0446% (0.45  1.00   0.02   0.02) =   0.003%
    Distance limit 2.98 A violated in 0 structures by 0.24 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 173.0:
    * O T HA    LEU   73 - HB2   LEU   73   2.53 +/- 0.20 100.000% *100.0000% (1.00  10.0 10.00   5.00 172.97) = 100.000%  kept
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.25, residual support = 172.7:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  90.102% * 92.1898% (1.00  10.0 10.00   5.25 172.97) =  99.787%  kept
          HB3   LYS+  74 - HB2   LEU   73   5.00 +/- 0.68   4.597% *  3.5291% (0.18   1.0  1.00   4.37  41.36) =   0.195%  kept
        T HG3   LYS+  33 - HB2   LEU   73  11.73 +/- 3.21   0.478% *  0.8897% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T HB3   PRO   93 - HB2   LEU   73  14.23 +/- 3.74   1.118% *  0.3460% (0.38   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  65 - HB2   LEU   73  12.53 +/- 1.94   0.320% *  0.9137% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+ 106 - HB2   LEU   73  16.60 +/- 2.09   0.129% *  0.8510% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HB2   LEU   73   9.08 +/- 1.45   0.835% *  0.0914% (0.99   1.0  1.00   0.02   0.45) =   0.001%
        T HG3   LYS+ 102 - HB2   LEU   73  19.60 +/- 2.79   0.081% *  0.9199% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HB2   LEU   73  17.68 +/- 5.40   0.720% *  0.0904% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - HB2   LEU   73  15.25 +/- 3.97   0.407% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  11.99 +/- 2.21   0.427% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  12.35 +/- 1.92   0.317% *  0.0314% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  14.23 +/- 2.73   0.275% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  20.47 +/- 3.70   0.128% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  21.11 +/- 3.40   0.066% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 172.2:
    * O T QD1   LEU   73 - HB2   LEU   73   2.47 +/- 0.50  78.190% * 87.2716% (1.00  10.0 10.00   5.27 172.97) =  99.528%  kept
        T QD1   LEU   63 - HB2   LEU   73  10.38 +/- 1.64   2.568% * 12.0269% (1.00   1.0 10.00   0.28   0.02) =   0.450%  kept
          QD2   LEU  115 - HB2   LEU   73  13.01 +/- 3.63   8.129% *  0.0729% (0.84   1.0  1.00   0.02   0.02) =   0.009%
          QD2   LEU   80 - HB2   LEU   73   7.54 +/- 2.17   5.713% *  0.0699% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T QD1   LEU  104 - HB2   LEU   73  14.66 +/- 2.32   0.579% *  0.4941% (0.57   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU   73   9.89 +/- 1.38   2.777% *  0.0494% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   LEU   73   9.81 +/- 2.40   2.044% *  0.0153% (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 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.17, residual support = 172.1:
    * O T QD2   LEU   73 - HB2   LEU   73   2.91 +/- 0.27  71.876% * 96.8190% (1.00  10.0 10.00   6.20 172.97) =  99.507%  kept
          QG1   VAL   43 - HB2   LEU   73   7.37 +/- 2.30  17.525% *  1.8456% (0.28   1.0  1.00   1.37   2.76) =   0.462%  kept
        T QD1   ILE   56 - HB2   LEU   73  12.97 +/- 3.03   1.601% *  0.8683% (0.90   1.0 10.00   0.02   0.02) =   0.020%
          HG    LEU   31 - HB2   LEU   73   9.06 +/- 2.51   4.870% *  0.0934% (0.97   1.0  1.00   0.02   1.62) =   0.007%
          QG1   VAL   41 - HB2   LEU   73   8.98 +/- 1.77   3.868% *  0.0434% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - HB2   LEU   73  20.76 +/- 3.90   0.260% *  0.3303% (0.34   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.34 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 = 173.0:
    * O T HA    LEU   73 - HB3   LEU   73   2.51 +/- 0.29 100.000% *100.0000% (1.00  10.0 10.00   5.25 172.97) = 100.000%  kept
    Distance limit 3.86 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 = 173.0:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  98.038% * 98.2609% (1.00  10.0 10.00   5.25 172.97) =  99.997%  kept
        T HD2   LYS+ 111 - HB3   LEU   73  22.34 +/- 5.58   0.131% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU   73  17.44 +/- 3.61   0.186% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HB3   LEU   73  16.34 +/- 3.74   0.436% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.62 +/- 2.98   0.204% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  15.27 +/- 2.25   0.187% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  15.88 +/- 2.08   0.165% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  14.04 +/- 2.99   0.412% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.95 +/- 3.52   0.066% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  16.07 +/- 2.40   0.175% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 5.47, residual support = 172.3:
    * O T QD1   LEU   73 - HB3   LEU   73   2.62 +/- 0.39  81.665% * 86.7261% (1.00  10.0 10.00   5.49 172.97) =  99.626%  kept
        T QD1   LEU   63 - HB3   LEU   73  10.40 +/- 1.45   1.797% * 11.9517% (1.00   1.0 10.00   0.28   0.02) =   0.302%  kept
        T QD2   LEU   80 - HB3   LEU   73   7.79 +/- 2.28   6.065% *  0.6944% (0.80   1.0 10.00   0.02   0.02) =   0.059%
        T QD1   LEU  104 - HB3   LEU   73  14.22 +/- 2.56   0.980% *  0.4910% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU  115 - HB3   LEU   73  13.19 +/- 3.49   4.281% *  0.0724% (0.84   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB3   LEU   73   9.90 +/- 1.17   1.969% *  0.0491% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   LEU   73   9.92 +/- 2.43   3.243% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 6.6, residual support = 170.8:
    * O T QD2   LEU   73 - HB3   LEU   73   2.79 +/- 0.40  70.241% * 95.0911% (1.00  10.0 10.00   6.68 172.97) =  98.751%  kept
        T QG1   VAL   43 - HB3   LEU   73   7.19 +/- 2.68  19.164% *  4.3648% (0.28   1.0 10.00   0.33   2.76) =   1.237%  kept
          HG    LEU   31 - HB3   LEU   73   8.54 +/- 2.39   3.980% *  0.0918% (0.97   1.0  1.00   0.02   1.62) =   0.005%
          QG1   VAL   41 - HB3   LEU   73   8.50 +/- 1.98   4.492% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   73  20.60 +/- 3.93   0.504% *  0.3244% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HB3   LEU   73  13.24 +/- 2.83   1.619% *  0.0853% (0.90   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 171.4:
    *   T HA    LEU   73 - QD1   LEU   73   3.55 +/- 0.48  91.487% * 87.6995% (1.00 10.00   5.28 172.97) =  99.092%  kept
        T HA    LEU   73 - QD1   LEU   63   9.48 +/- 1.28   6.040% * 12.0859% (1.00 10.00   0.28   0.02) =   0.902%  kept
        T HA    LEU   73 - QD1   LEU  104  14.06 +/- 2.25   2.473% *  0.2147% (0.24 10.00   0.02   0.02) =   0.007%
    Distance limit 5.01 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 = 0.961, support = 5.13, residual support = 166.4:
    * O T HB2   LEU   73 - QD1   LEU   73   2.47 +/- 0.50  37.401% * 91.0331% (1.00  10.0 10.00   5.27 172.97) =  95.747%  kept
        T HB3   LYS+  99 - QD1   LEU  104   3.42 +/- 1.63  24.049% *  4.7511% (0.05   1.0 10.00   1.92  17.61) =   3.213%  kept
          QD    LYS+  99 - QD1   LEU  104   4.01 +/- 2.00  18.744% *  1.8970% (0.23   1.0  1.00   1.84  17.61) =   1.000%  kept
        T HB2   LEU   73 - QD1   LEU   63  10.38 +/- 1.64   0.730% *  0.9103% (1.00   1.0 10.00   0.02   0.02) =   0.019%
          QG1   ILE   56 - QD1   LEU   63   6.11 +/- 1.23   3.604% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU  123 - QD1   LEU   63  10.37 +/- 3.18   1.084% *  0.0589% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD1   LEU   63  11.39 +/- 2.31   0.724% *  0.0861% (0.95   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - QD1   LEU  104  14.66 +/- 2.32   0.229% *  0.2228% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   63  11.05 +/- 1.86   0.582% *  0.0840% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   63  12.78 +/- 2.99   0.514% *  0.0879% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   63  11.58 +/- 3.26   0.670% *  0.0552% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU   73  14.35 +/- 2.21   0.407% *  0.0879% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD1   LEU   73  14.32 +/- 3.06   0.644% *  0.0552% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   73  13.17 +/- 1.85   0.401% *  0.0861% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU   73  12.62 +/- 2.09   0.407% *  0.0840% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   6.87 +/- 1.56   3.711% *  0.0092% (0.10   1.0  1.00   0.02   0.29) =   0.001%
          QD    LYS+ 102 - QD1   LEU   73  13.85 +/- 3.44   0.874% *  0.0374% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  104   8.05 +/- 1.06   1.466% *  0.0211% (0.23   1.0  1.00   0.02   0.43) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   63  13.96 +/- 2.90   0.313% *  0.0816% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD1   LEU   73  12.40 +/- 2.62   0.859% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU   73  19.43 +/- 4.16   0.183% *  0.0816% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.92 +/- 1.98   0.298% *  0.0374% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  19.04 +/- 3.57   0.168% *  0.0589% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  11.73 +/- 2.00   0.461% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  13.21 +/- 2.05   0.332% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  14.83 +/- 5.26   0.411% *  0.0144% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.99 +/- 3.01   0.430% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  18.28 +/- 1.72   0.102% *  0.0215% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  18.55 +/- 1.99   0.096% *  0.0200% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  18.04 +/- 1.52   0.104% *  0.0135% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 0.99, support = 5.46, residual support = 170.9:
    * O T HB3   LEU   73 - QD1   LEU   73   2.62 +/- 0.39  33.614% * 90.0696% (1.00  10.0 10.00   5.49 172.97) =  98.609%  kept
          HB3   LYS+  74 - QD1   LEU   73   5.41 +/- 1.05   7.206% *  3.4329% (0.18   1.0  1.00   4.35  41.36) =   0.806%  kept
          QB    LEU   98 - QD1   LEU  104   5.35 +/- 1.07   7.446% *  1.1747% (0.09   1.0  1.00   2.84  12.12) =   0.285%  kept
          HB    VAL   42 - QD1   LEU   73   7.43 +/- 1.81   2.446% *  2.6285% (0.99   1.0  1.00   0.59   0.45) =   0.209%  kept
        T HB3   LEU   73 - QD1   LEU   63  10.40 +/- 1.45   0.656% *  0.9007% (1.00   1.0 10.00   0.02   0.02) =   0.019%
          HB    VAL   42 - QD1   LEU   63   6.87 +/- 1.88   5.773% *  0.0893% (0.99   1.0  1.00   0.02   0.02) =   0.017%
          HB2   LYS+ 112 - QD1   LEU   63   9.42 +/- 2.98   4.630% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.013%
          HG3   LYS+  33 - QD1   LEU   73   8.30 +/- 2.52   2.469% *  0.0869% (0.97   1.0  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  65 - QD1   LEU   63   8.11 +/- 1.08   1.578% *  0.0893% (0.99   1.0  1.00   0.02   3.06) =   0.005%
          HB3   PRO   93 - QD1   LEU   63   9.83 +/- 3.27   3.337% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   LEU   73 - QD1   LEU  104  14.22 +/- 2.56   0.377% *  0.2205% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QD1   LEU  104   7.29 +/- 1.34   2.689% *  0.0220% (0.24   1.0  1.00   0.02   0.29) =   0.002%
          HG3   LYS+ 106 - QD1   LEU   63  11.41 +/- 2.54   0.613% *  0.0831% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD1   LEU   73   9.19 +/- 2.23   1.476% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD1   LEU   73  11.77 +/- 1.71   0.502% *  0.0893% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD1   LEU   73  15.82 +/- 4.12   0.502% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD1   LEU   73  12.83 +/- 3.13   1.304% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU  104   7.59 +/- 1.15   2.046% *  0.0204% (0.23   1.0  1.00   0.02   0.43) =   0.001%
          HB    VAL   42 - QD1   LEU  104   8.23 +/- 1.68   1.729% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU   63  10.19 +/- 1.71   1.112% *  0.0338% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD1   LEU   73  13.00 +/- 2.98   0.496% *  0.0583% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD1   LEU   73  13.48 +/- 1.89   0.324% *  0.0831% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   73  15.14 +/- 3.04   0.297% *  0.0899% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU   73  10.90 +/- 2.61   1.151% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   73  10.11 +/- 1.45   0.795% *  0.0307% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   63  14.96 +/- 1.89   0.258% *  0.0869% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD1   LEU  104   6.21 +/- 0.95   3.660% *  0.0055% (0.06   1.0  1.00   0.02  12.12) =   0.001%
          HG3   LYS+ 102 - QD1   LEU   63  16.22 +/- 2.12   0.188% *  0.0899% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU  104  11.27 +/- 6.25   4.910% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU   63  10.50 +/- 2.47   1.046% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  11.74 +/- 2.01   0.634% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63   9.95 +/- 1.72   0.764% *  0.0158% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.02 +/- 2.47   0.204% *  0.0583% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  11.72 +/- 2.61   0.676% *  0.0158% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  13.40 +/- 2.20   0.297% *  0.0307% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  14.18 +/- 2.15   0.340% *  0.0213% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  17.37 +/- 3.62   0.417% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  16.66 +/- 1.47   0.164% *  0.0216% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.86 +/- 2.36   0.161% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  14.47 +/- 2.81   0.356% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  13.83 +/- 5.71   0.680% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  18.07 +/- 3.32   0.146% *  0.0158% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  19.55 +/- 2.53   0.101% *  0.0143% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.30 +/- 1.48   0.172% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.00 +/- 2.94   0.258% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.10 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 6.38, residual support = 169.0:
    * O T QD2   LEU   73 - QD1   LEU   73   2.06 +/- 0.06  46.989% * 71.8970% (1.00  10.0 10.00   6.49 172.97) =  97.720%  kept
          HG    LEU   31 - QD1   LEU   73   5.63 +/- 1.94   5.970% *  7.9676% (0.97   1.0  1.00   2.30   1.62) =   1.376%  kept
        T QD2   LEU   73 - QD1   LEU   63   8.03 +/- 1.55   1.423% * 18.0744% (1.00   1.0 10.00   0.50   0.02) =   0.744%  kept
          QG1   VAL   43 - QD1   LEU   73   5.73 +/- 2.11   6.884% *  0.3550% (0.28   1.0  1.00   0.36   2.76) =   0.071%
        T QG1   VAL   41 - QD1   LEU   73   6.53 +/- 1.86   4.326% *  0.3223% (0.45   1.0 10.00   0.02   0.02) =   0.040%
          QD1   ILE   56 - QD1   LEU   63   5.81 +/- 1.56   8.577% *  0.0645% (0.90   1.0  1.00   0.02   0.02) =   0.016%
        T QG1   VAL   41 - QD1   LEU  104   6.97 +/- 1.92   3.342% *  0.0789% (0.11   1.0 10.00   0.02   0.02) =   0.008%
        T QG1   VAL   41 - QD1   LEU   63   9.51 +/- 1.32   0.632% *  0.3223% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 121 - QD1   LEU  104  10.85 +/- 6.34   2.868% *  0.0600% (0.08   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 121 - QD1   LEU   63  10.79 +/- 2.87   0.574% *  0.2452% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - QD1   LEU  104  10.98 +/- 2.03   0.515% *  0.1760% (0.24   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   31 - QD1   LEU   63  12.89 +/- 2.67   1.125% *  0.0694% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU  104   8.41 +/- 2.41  12.624% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 121 - QD1   LEU   73  17.59 +/- 3.73   0.207% *  0.2452% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU   63   8.42 +/- 2.14   1.909% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   73  11.64 +/- 2.52   0.553% *  0.0645% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU  104  12.21 +/- 2.81   1.066% *  0.0170% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU  104  13.44 +/- 2.65   0.416% *  0.0158% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 173.0:
    *   T HA    LEU   73 - QD2   LEU   73   3.02 +/- 0.54  98.915% * 99.6602% (1.00 10.00   6.20 172.97) =  99.996%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.83 +/- 4.18   1.085% *  0.3398% (0.34 10.00   0.02   0.02) =   0.004%
    Distance limit 3.17 A violated in 0 structures by 0.12 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 6.19, residual support = 172.6:
    * O T HB2   LEU   73 - QD2   LEU   73   2.91 +/- 0.27  72.282% * 95.1052% (1.00  10.0 10.00   6.20 172.97) =  99.814%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.54 +/- 0.56   3.193% *  3.4813% (0.22   1.0 10.00   0.33   2.24) =   0.161%  kept
        T QG1   ILE   56 - QD2   LEU   73  11.47 +/- 2.51   2.225% *  0.2935% (0.31   1.0 10.00   0.02   0.02) =   0.009%
          QD    LYS+ 106 - HG3   LYS+ 121  12.70 +/- 5.96   7.580% *  0.0307% (0.32   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  99 - QD2   LEU   73  11.82 +/- 2.01   1.735% *  0.0878% (0.92   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   ILE   56 - HG3   LYS+ 121  12.54 +/- 1.73   1.429% *  0.1001% (0.11   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - QD2   LEU   73  12.86 +/- 1.65   0.966% *  0.0900% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 121  20.76 +/- 3.90   0.257% *  0.3243% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD2   LEU   73  14.28 +/- 2.22   0.736% *  0.0918% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QD2   LEU   73  14.08 +/- 3.03   1.105% *  0.0577% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU   73  13.58 +/- 3.14   1.379% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 121  13.90 +/- 5.86   1.558% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU   73  18.83 +/- 4.03   0.424% *  0.0853% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD2   LEU   73  12.35 +/- 2.12   1.606% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.80 +/- 3.32   0.392% *  0.0615% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  14.55 +/- 6.94   1.527% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  18.37 +/- 2.02   0.334% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  17.16 +/- 6.38   0.702% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  20.42 +/- 2.44   0.256% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.89 +/- 2.01   0.311% *  0.0197% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.934, support = 6.57, residual support = 178.1:
    * O T HB3   LEU   73 - QD2   LEU   73   2.79 +/- 0.40  30.689% * 84.0495% (1.00  10.0 10.00   6.68 172.97) =  91.968%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.57 +/- 0.29  37.340% *  4.4223% (0.05  10.0 10.00   5.98 313.68) =   5.887%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.33 +/- 1.03   8.550% *  4.1184% (0.18   1.0  1.00   5.60  41.36) =   1.256%  kept
          HB    VAL   42 - QD2   LEU   73   6.35 +/- 1.73   4.396% *  4.4159% (0.99   1.0  1.00   1.06   0.45) =   0.692%  kept
          HB2   LYS+ 112 - QD2   LEU   73  14.88 +/- 4.25   2.638% *  1.8353% (0.98   1.0  1.00   0.45   0.02) =   0.173%  kept
          HG3   LYS+  33 - QD2   LEU   73   8.41 +/- 2.70   1.848% *  0.0811% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  65 - QD2   LEU   73  10.44 +/- 1.68   0.877% *  0.0833% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QD2   LEU   73  12.49 +/- 3.04   1.759% *  0.0315% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HG3   LYS+ 121  13.29 +/- 6.72   1.910% *  0.0265% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD2   LEU   73   8.73 +/- 2.24   1.516% *  0.0315% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   73 - HG3   LYS+ 121  20.60 +/- 3.93   0.164% *  0.2866% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 121 - QD2   LEU   73  16.42 +/- 3.18   0.334% *  0.1297% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HG3   LYS+ 121  18.14 +/- 3.90   1.294% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   73  12.99 +/- 1.69   0.404% *  0.0776% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD2   LEU   73  12.69 +/- 2.86   0.525% *  0.0544% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD2   LEU   73  14.80 +/- 2.81   0.303% *  0.0839% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   73  10.30 +/- 2.83   1.211% *  0.0210% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QD2   LEU   73  10.76 +/- 1.68   0.780% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HG3   LYS+ 121  14.31 +/- 4.57   0.612% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HG3   LYS+ 121  18.78 +/- 7.14   0.197% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.51 +/- 0.76   0.187% *  0.0281% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  14.17 +/- 5.30   0.479% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.54 +/- 0.74   0.864% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  24.51 +/- 5.09   0.151% *  0.0277% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  17.01 +/- 3.19   0.193% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  16.20 +/- 5.46   0.308% *  0.0071% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.37 +/- 2.11   0.163% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  26.32 +/- 3.87   0.054% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  20.46 +/- 3.08   0.092% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.12 +/- 4.29   0.162% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.49, residual support = 172.8:
    * O T QD1   LEU   73 - QD2   LEU   73   2.06 +/- 0.06  72.392% * 97.3141% (1.00  10.0 10.00   6.49 172.97) =  99.930%  kept
        T QD1   LEU   63 - QD2   LEU   73   8.03 +/- 1.55   2.077% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.029%
        T QD1   LEU  104 - HG3   LYS+ 121  10.85 +/- 6.34   4.143% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.011%
        T QD1   LEU  104 - QD2   LEU   73  10.98 +/- 2.03   1.087% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - QD2   LEU   73  10.64 +/- 3.09   6.576% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.008%
          QD2   LEU   80 - QD2   LEU   73   6.72 +/- 1.83   5.236% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.006%
        T QD1   LEU   63 - HG3   LYS+ 121  10.79 +/- 2.87   0.886% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QD2   LEU   73   7.55 +/- 1.29   2.342% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - HG3   LYS+ 121  17.59 +/- 3.73   0.292% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD2   LEU   73   8.16 +/- 2.37   2.629% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HG3   LYS+ 121   9.99 +/- 1.38   0.867% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121  11.01 +/- 3.67   1.221% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  20.33 +/- 3.18   0.114% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  19.14 +/- 3.90   0.138% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.7:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.64 +/- 0.25  83.800% * 99.4757% (0.64  10.0 10.00   6.31 186.67) =  99.990%  kept
          HG2   LYS+  65 - HA    LYS+  74  10.04 +/- 2.82   3.849% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.003%
          QG2   THR   26 - HA    LYS+  74   9.36 +/- 2.25   2.845% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HA    LYS+  74   9.84 +/- 3.34   5.176% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HA    LYS+  74  12.90 +/- 1.88   0.900% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    LYS+  74  14.19 +/- 2.27   0.773% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    LYS+  74  17.41 +/- 2.54   0.371% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  12.17 +/- 1.27   1.046% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  13.72 +/- 2.46   0.922% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.69 +/- 2.86   0.317% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.7:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.46 +/- 0.38  89.794% * 99.1206% (0.80  10.0 10.00   6.28 186.67) =  99.991%  kept
          HG13  ILE   19 - HA    LYS+  74   9.08 +/- 2.94   2.906% *  0.0915% (0.74   1.0  1.00   0.02   8.38) =   0.003%
          QG2   THR   39 - HA    LYS+  74  10.85 +/- 2.23   2.433% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HA    LYS+  74  11.48 +/- 1.04   1.154% *  0.0989% (0.80   1.0  1.00   0.02   0.24) =   0.001%
        T HG3   LYS+ 111 - HA    LYS+  74  19.77 +/- 2.72   0.242% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+  74  13.85 +/- 2.07   0.981% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  14.10 +/- 1.77   0.663% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.13 +/- 1.97   0.326% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  12.41 +/- 2.50   1.139% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  19.80 +/- 3.05   0.360% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.778, support = 5.55, residual support = 180.2:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.52 +/- 0.38  47.292% * 92.2643% (0.80  10.0 10.00   5.57 186.67) =  95.848%  kept
          HB    VAL   75 - HA    LYS+  74   4.39 +/- 0.39  25.505% *  7.3271% (0.25   1.0  1.00   5.15  31.83) =   4.105%  kept
          QD1   LEU   67 - HA    LYS+  74   7.04 +/- 2.69  17.790% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.033%
          QD2   LEU   71 - HA    LYS+  74   8.71 +/- 1.04   4.138% *  0.0634% (0.55   1.0  1.00   0.02   0.24) =   0.006%
          QD2   LEU   40 - HA    LYS+  74  11.19 +/- 1.22   1.640% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - HA    LYS+  74  13.79 +/- 1.85   1.090% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HA    LYS+  74  13.14 +/- 2.32   1.365% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QG2   ILE  119 - HA    LYS+  74  13.55 +/- 2.55   1.180% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.30 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.6:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.37 +/- 0.33  82.950% * 99.2156% (0.80 10.00   5.91 186.67) =  99.984%  kept
          QB    ALA   57 - HA    LYS+  74  11.62 +/- 2.72   3.629% *  0.0861% (0.69  1.00   0.02   0.02) =   0.004%
          QD    LYS+  65 - HA    LYS+  74   9.77 +/- 2.55   5.297% *  0.0562% (0.45  1.00   0.02   0.02) =   0.004%
        T QD    LYS+  38 - HA    LYS+  74  17.93 +/- 2.09   0.759% *  0.3384% (0.27 10.00   0.02   0.02) =   0.003%
          QD    LYS+  33 - HA    LYS+  74  12.72 +/- 2.60   3.295% *  0.0562% (0.45  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HA    LYS+  74  12.01 +/- 1.80   2.308% *  0.0483% (0.39  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+  74  18.15 +/- 3.13   0.860% *  0.0602% (0.49  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LYS+  74  20.88 +/- 2.75   0.459% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.60 +/- 3.58   0.444% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.35 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.7:
    *   T QE    LYS+  74 - HA    LYS+  74   3.01 +/- 0.48  82.904% * 99.7560% (0.80 10.00   4.93 186.67) =  99.990%  kept
          QB    CYS   50 - HA    LYS+  74  11.65 +/- 2.66   3.915% *  0.0995% (0.80  1.00   0.02   0.02) =   0.005%
          HB2   PHE   72 - HA    LYS+  74   6.34 +/- 0.66  10.421% *  0.0308% (0.25  1.00   0.02   1.31) =   0.004%
          HB3   ASN   69 - HA    LYS+  74  14.49 +/- 1.36   1.006% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    LYS+  74  11.57 +/- 0.76   1.754% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 2.86 A violated in 0 structures by 0.30 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 186.7:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.64 +/- 0.25  98.400% * 99.8966% (0.64  10.0 10.00   6.31 186.67) =  99.999%  kept
          HA    THR   94 - HB2   LYS+  74  14.57 +/- 1.73   0.697% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LYS+  74  14.59 +/- 2.81   0.902% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 5.84, residual support = 186.5:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.94 +/- 0.09  83.042% * 98.2019% (0.80  10.0 10.00   5.85 186.67) =  99.920%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.59 +/- 3.03   5.708% *  1.0175% (0.74   1.0  1.00   0.22   8.38) =   0.071%
          QG2   THR   39 - HB2   LYS+  74  11.41 +/- 2.58   5.480% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.004%
          HG    LEU   71 - HB2   LYS+  74  12.29 +/- 1.53   1.421% *  0.0980% (0.80   1.0  1.00   0.02   0.24) =   0.002%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.45 +/- 2.86   0.271% *  0.3686% (0.30   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HB2   LYS+  74  15.30 +/- 2.08   0.706% *  0.0596% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB2   LYS+  74  13.28 +/- 2.81   1.819% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.73 +/- 2.53   0.341% *  0.0980% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  15.56 +/- 2.34   0.726% *  0.0440% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  20.74 +/- 3.69   0.486% *  0.0335% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.797, support = 5.26, residual support = 185.2:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.79 +/- 0.13  70.689% * 91.5691% (0.80  10.0 10.00   5.27 186.67) =  99.067%  kept
          HB    VAL   75 - HB2   LYS+  74   6.24 +/- 0.51   6.966% *  6.5255% (0.25   1.0  1.00   4.62  31.83) =   0.696%  kept
        T QD1   LEU   67 - HB2   LYS+  74   7.78 +/- 2.87  17.069% *  0.8453% (0.74   1.0 10.00   0.02   0.02) =   0.221%  kept
        T QD2   LEU   40 - HB2   LYS+  74  12.57 +/- 1.57   0.973% *  0.8212% (0.72   1.0 10.00   0.02   0.02) =   0.012%
          QD2   LEU   71 - HB2   LYS+  74   9.23 +/- 1.22   2.469% *  0.0629% (0.55   1.0  1.00   0.02   0.24) =   0.002%
          QG2   ILE  103 - HB2   LYS+  74  15.38 +/- 1.96   0.544% *  0.0898% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LYS+  74  14.63 +/- 2.19   0.608% *  0.0518% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.46 +/- 2.72   0.683% *  0.0344% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 186.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.13 +/- 0.22  93.756% * 97.4681% (0.80  10.0 10.00   6.31 186.67) =  99.976%  kept
        T QD    LYS+  65 - HB2   LYS+  74   9.55 +/- 2.62   3.246% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.020%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.63 +/- 3.59   0.179% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.50 +/- 2.96   0.099% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LYS+  74  12.13 +/- 3.31   0.892% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+  74  18.84 +/- 2.86   0.222% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HB2   LYS+  74  12.82 +/- 2.52   0.858% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB2   LYS+  74  12.97 +/- 2.15   0.646% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.62 +/- 3.87   0.102% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 186.6:
    *   T QE    LYS+  74 - HB2   LYS+  74   3.42 +/- 0.43  77.731% * 99.7560% (0.80 10.00   4.62 186.67) =  99.983%  kept
          QB    CYS   50 - HB2   LYS+  74  11.97 +/- 2.82   7.592% *  0.0995% (0.80  1.00   0.02   0.02) =   0.010%
          HB2   PHE   72 - HB2   LYS+  74   7.65 +/- 1.33  10.669% *  0.0308% (0.25  1.00   0.02   1.31) =   0.004%
          HB3   ASN   69 - HB2   LYS+  74  15.35 +/- 2.41   1.352% *  0.0762% (0.61  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   LYS+  74  11.46 +/- 1.44   2.655% *  0.0374% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 186.7:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.46 +/- 0.38  92.930% * 99.7790% (0.80  10.0 10.00   6.28 186.67) =  99.999%  kept
          HA    THR   94 - HG2   LYS+  74  13.16 +/- 1.88   0.754% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  74 - HG3   LYS+ 111  19.77 +/- 2.72   0.251% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  13.12 +/- 2.93   0.945% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.16 +/- 1.96   2.656% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  12.43 +/- 3.81   2.465% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 186.6:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.94 +/- 0.09  66.064% * 99.3145% (0.80  10.0 10.00   5.85 186.67) =  99.980%  kept
          HG    LEU   67 - HG2   LYS+  74  10.55 +/- 3.72  11.006% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          QG2   THR   26 - HG2   LYS+  74  10.06 +/- 2.72   4.641% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HG2   LYS+  74  10.05 +/- 3.20   5.360% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - HG2   LYS+  74  14.40 +/- 2.47   0.974% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU  115 - HG2   LYS+  74  14.57 +/- 2.36   0.810% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG2   LYS+  74  17.85 +/- 2.87   0.380% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   9.03 +/- 1.41   3.038% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.45 +/- 2.86   0.219% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.16 +/- 2.67   0.957% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  13.71 +/- 1.75   0.926% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.33 +/- 3.35   0.355% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.79 +/- 1.40   0.734% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111  10.09 +/- 1.59   2.449% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.92 +/- 3.47   0.232% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  17.06 +/- 2.54   0.483% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.05 +/- 4.41   0.637% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  20.97 +/- 4.03   0.283% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  24.07 +/- 2.78   0.150% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.17 +/- 3.36   0.301% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 4.54, residual support = 186.2:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  87.334% * 92.8694% (1.00  10.0 10.00   4.54 186.67) =  99.703%  kept
          HB    VAL   75 - HG2   LYS+  74   5.42 +/- 0.79   3.614% *  6.5117% (0.31   1.0  1.00   4.54  31.83) =   0.289%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.83 +/- 2.86   6.005% *  0.0857% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          QD2   LEU   71 - HG2   LYS+  74   9.89 +/- 1.20   0.586% *  0.0638% (0.69   1.0  1.00   0.02   0.24) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.46 +/- 1.54   0.302% *  0.0833% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.93 +/- 2.09   0.188% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  19.87 +/- 4.93   0.173% *  0.0682% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.38 +/- 2.41   0.215% *  0.0526% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.95 +/- 2.97   0.257% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.75 +/- 2.62   0.072% *  0.0993% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.10 +/- 4.00   0.524% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  15.50 +/- 2.26   0.160% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.72 +/- 2.70   0.143% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  17.03 +/- 2.50   0.132% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  13.75 +/- 1.13   0.197% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.12 +/- 2.32   0.098% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.919, support = 5.53, residual support = 197.9:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.88 +/- 0.13  44.206% * 89.4618% (1.00  10.0 10.00   5.54 186.67) =  91.156%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.80 +/- 0.27  47.774% *  7.9861% (0.09  10.0 10.00   5.40 315.10) =   8.794%  kept
        T QD    LYS+  65 - HG2   LYS+  74   9.66 +/- 3.02   2.572% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.030%
        T QD    LYS+  33 - HG2   LYS+  74  13.89 +/- 2.93   0.946% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.011%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.94 +/- 2.74   0.151% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG2   LYS+  74  11.44 +/- 3.53   1.308% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HG2   LYS+  74  19.26 +/- 2.81   0.218% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   83 - HG2   LYS+  74  12.58 +/- 2.14   0.722% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HG3   LYS+ 111  20.84 +/- 2.55   0.142% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.83 +/- 3.48   0.223% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  19.37 +/- 3.19   0.211% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.20 +/- 3.97   0.130% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  13.32 +/- 2.98   0.770% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.54 +/- 2.82   0.058% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.73 +/- 3.42   0.064% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.85 +/- 1.81   0.249% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.58 +/- 1.82   0.126% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.76 +/- 2.51   0.132% *  0.0047% (0.05   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 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.7:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.35 +/- 0.39  88.806% * 99.6238% (1.00  10.0 10.00   4.54 186.67) =  99.994%  kept
          QB    CYS   50 - HG2   LYS+  74  11.08 +/- 3.29   2.821% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG2   LYS+  74   8.12 +/- 1.17   4.187% *  0.0307% (0.31   1.0  1.00   0.02   1.31) =   0.001%
          HB3   ASN   69 - HG2   LYS+  74  15.49 +/- 2.01   0.616% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  10.71 +/- 1.60   1.227% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  74 - HG3   LYS+ 111  17.26 +/- 2.29   0.301% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  13.76 +/- 3.66   1.523% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  23.54 +/- 4.60   0.177% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.26 +/- 3.57   0.199% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  22.63 +/- 2.81   0.143% *  0.0040% (0.04   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 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 186.7:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.52 +/- 0.38  96.033% * 99.8966% (0.80  10.0 10.00   5.57 186.67) =  99.998%  kept
          HA    THR   94 - HG3   LYS+  74  14.23 +/- 1.54   1.740% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HG3   LYS+  74  13.80 +/- 2.80   2.227% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 186.6:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.79 +/- 0.13  75.226% * 98.5261% (0.80  10.0 10.00   5.27 186.67) =  99.976%  kept
        T HG    LEU  115 - HG3   LYS+  74  15.46 +/- 2.42   0.653% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.007%
          HG    LEU   67 - HG3   LYS+  74  11.22 +/- 3.72  10.938% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          HG2   LYS+  65 - HG3   LYS+  74  10.03 +/- 3.44   5.553% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          QG2   THR   26 - HG3   LYS+  74   9.93 +/- 2.72   4.564% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - HG3   LYS+  74  14.61 +/- 2.24   0.740% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - HG3   LYS+  74  15.20 +/- 2.96   0.963% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HG3   LYS+  74  18.43 +/- 2.88   0.323% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.10 +/- 3.60   0.333% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.09 +/- 2.77   0.706% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.7:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  95.146% * 99.1206% (1.00  10.0 10.00   4.54 186.67) =  99.996%  kept
          HG13  ILE   19 - HG3   LYS+  74  10.00 +/- 3.52   2.174% *  0.0915% (0.92   1.0  1.00   0.02   8.38) =   0.002%
          QG2   THR   39 - HG3   LYS+  74  12.43 +/- 2.95   0.861% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HG3   LYS+  74  20.75 +/- 2.62   0.079% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.48 +/- 1.80   0.258% *  0.0989% (1.00   1.0  1.00   0.02   0.24) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  12.68 +/- 3.30   0.926% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  14.78 +/- 2.07   0.191% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.53 +/- 2.81   0.084% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.41 +/- 2.41   0.180% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  21.92 +/- 4.00   0.103% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.7:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.86 +/- 0.11  86.566% * 99.2156% (1.00  10.0 10.00   4.97 186.67) =  99.989%  kept
          QD    LYS+  65 - HG3   LYS+  74   9.54 +/- 3.22   6.541% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HG3   LYS+  74  11.61 +/- 3.81   3.034% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HG3   LYS+  74  19.90 +/- 3.10   0.408% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - HG3   LYS+  74  14.12 +/- 2.71   1.475% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG3   LYS+  74  13.29 +/- 2.21   1.088% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HG3   LYS+  74  19.63 +/- 3.72   0.420% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.77 +/- 2.71   0.240% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.73 +/- 3.99   0.227% *  0.0562% (0.57   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 186.6:
    * O T QE    LYS+  74 - HG3   LYS+  74   3.16 +/- 0.31  82.385% * 99.7560% (1.00  10.0 10.00   4.00 186.67) =  99.988%  kept
          QB    CYS   50 - HG3   LYS+  74  11.16 +/- 3.43   5.542% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.007%
          HB2   PHE   72 - HG3   LYS+  74   8.81 +/- 1.69   8.275% *  0.0308% (0.31   1.0  1.00   0.02   1.31) =   0.003%
          HB3   ASP-  78 - HG3   LYS+  74  10.78 +/- 2.01   2.839% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HG3   LYS+  74  16.13 +/- 2.58   0.959% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 186.7:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.37 +/- 0.33  94.584% * 99.6012% (0.80 10.00   5.91 186.67) =  99.996%  kept
        T HA    LYS+  74 - QD    LYS+  38  17.93 +/- 2.09   0.870% *  0.2184% (0.18 10.00   0.02   0.02) =   0.002%
          HA    THR   94 - HD2   LYS+  74  14.29 +/- 2.06   1.538% *  0.0754% (0.61  1.00   0.02   0.02) =   0.001%
          HA    MET   92 - HD2   LYS+  74  13.96 +/- 3.45   2.406% *  0.0277% (0.22  1.00   0.02   0.02) =   0.001%
        T HA    MET   92 - QD    LYS+  38  26.33 +/- 1.67   0.219% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.09 +/- 1.55   0.383% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 6.31, residual support = 186.5:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.13 +/- 0.22  79.337% * 98.0482% (0.80  10.0 10.00   6.31 186.67) =  99.931%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   9.58 +/- 3.87   8.707% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.061%
          QG2   THR   26 - HD2   LYS+  74   9.96 +/- 2.52   2.468% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HD2   LYS+  74  10.72 +/- 4.24   3.776% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD2   LYS+  74  20.06 +/- 3.34   0.139% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HD2   LYS+  74  15.06 +/- 2.76   0.460% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  18.84 +/- 2.86   0.188% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - QD    LYS+  38   8.43 +/- 0.85   1.435% *  0.0241% (0.20   1.0  1.00   0.02   0.53) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  15.36 +/- 2.18   0.305% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  19.79 +/- 2.97   0.162% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  19.84 +/- 4.59   0.150% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  18.26 +/- 2.86   0.161% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.49 +/- 2.04   0.403% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  14.99 +/- 2.34   0.312% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.59 +/- 1.04   0.997% *  0.0047% (0.04   1.0  1.00   0.02   0.53) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.36 +/- 1.48   0.307% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  19.03 +/- 3.65   0.150% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.68 +/- 2.61   0.364% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  22.55 +/- 2.41   0.083% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  21.69 +/- 2.29   0.095% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.892, support = 5.54, residual support = 190.1:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.88 +/- 0.13  31.039% * 88.7936% (1.00  10.0 10.00   5.54 186.67) =  88.332%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.39 +/- 0.13  53.554% *  6.6419% (0.07  10.0 10.00   5.57 220.28) =  11.400%  kept
          QG2   THR   39 - QD    LYS+  38   6.52 +/- 0.61   3.048% *  2.1828% (0.13   1.0  1.00   3.70  23.91) =   0.213%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.91 +/- 2.55   6.322% *  0.1943% (0.22   1.0 10.00   0.02   0.02) =   0.039%
          HG13  ILE   19 - HD2   LYS+  74   9.94 +/- 3.14   1.535% *  0.0820% (0.92   1.0  1.00   0.02   8.38) =   0.004%
        T HG3   LYS+  99 - HD2   LYS+  74  20.49 +/- 2.78   0.111% *  0.8860% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HD2   LYS+  74  12.34 +/- 2.74   0.901% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - HD2   LYS+  74  21.76 +/- 3.93   0.131% *  0.3029% (0.34   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - HD2   LYS+  74  20.84 +/- 2.55   0.097% *  0.3333% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HD2   LYS+  74  13.41 +/- 1.52   0.363% *  0.0886% (1.00   1.0  1.00   0.02   0.24) =   0.001%
        T HG2   LYS+  74 - QD    LYS+  38  19.26 +/- 2.81   0.147% *  0.1947% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HD2   LYS+  74  14.85 +/- 2.56   0.303% *  0.0539% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QD    LYS+  38  10.98 +/- 2.08   0.750% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  12.68 +/- 3.05   0.759% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  15.59 +/- 2.71   0.281% *  0.0398% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.66 +/- 3.27   0.375% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.73 +/- 3.42   0.046% *  0.0731% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.80 +/- 1.60   0.066% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.90 +/- 2.27   0.079% *  0.0087% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.66 +/- 2.32   0.094% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 0.993, support = 4.97, residual support = 185.1:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.86 +/- 0.11  57.816% * 93.0985% (1.00  10.0 10.00   4.97 186.67) =  99.019%  kept
          HB    VAL   75 - HD2   LYS+  74   6.53 +/- 1.10   8.265% *  6.1883% (0.31   1.0  1.00   4.31  31.83) =   0.941%  kept
          QD1   LEU   67 - HD2   LYS+  74   7.99 +/- 3.41  20.046% *  0.0859% (0.92   1.0  1.00   0.02   0.02) =   0.032%
          QD2   LEU   71 - HD2   LYS+  74  10.23 +/- 1.20   1.454% *  0.0640% (0.69   1.0  1.00   0.02   0.24) =   0.002%
          QD2   LEU   40 - QD    LYS+  38   7.68 +/- 1.01   3.608% *  0.0183% (0.20   1.0  1.00   0.02   0.53) =   0.001%
          QD2   LEU   40 - HD2   LYS+  74  13.19 +/- 1.71   0.751% *  0.0835% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  74 - QD    LYS+  38  19.90 +/- 3.10   0.281% *  0.2042% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HD2   LYS+  74  15.77 +/- 2.12   0.423% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD    LYS+  38  12.15 +/- 2.07   1.481% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HD2   LYS+  74  14.17 +/- 2.96   0.745% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  15.13 +/- 2.43   0.456% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  10.17 +/- 1.85   1.691% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.48 +/- 1.75   0.887% *  0.0200% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.00 +/- 2.08   1.110% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  17.59 +/- 2.98   0.626% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  17.62 +/- 3.35   0.359% *  0.0077% (0.08   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 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.7:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.30 +/- 0.13  87.876% * 99.4851% (1.00  10.0 10.00   4.97 186.67) =  99.991%  kept
          QB    CYS   50 - HD2   LYS+  74  11.08 +/- 3.30   5.204% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB2   PHE   72 - HD2   LYS+  74   8.74 +/- 1.14   2.032% *  0.0307% (0.31   1.0  1.00   0.02   1.31) =   0.001%
        T QE    LYS+  74 - QD    LYS+  38  17.87 +/- 2.54   0.273% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HD2   LYS+  74  15.82 +/- 2.69   0.613% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HD2   LYS+  74  11.08 +/- 1.91   1.122% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.83 +/- 2.86   2.135% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  13.88 +/- 1.71   0.468% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  24.33 +/- 3.29   0.089% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  24.81 +/- 4.92   0.186% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 186.7:
    *   T HA    LYS+  74 - QE    LYS+  74   3.01 +/- 0.48  92.990% * 99.8966% (0.80 10.00   4.93 186.67) =  99.997%  kept
          HA    THR   94 - QE    LYS+  74  11.47 +/- 2.19   2.533% *  0.0757% (0.61  1.00   0.02   0.02) =   0.002%
          HA    MET   92 - QE    LYS+  74  11.11 +/- 3.28   4.476% *  0.0278% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.8, support = 4.62, residual support = 186.6:
    *   T HB2   LYS+  74 - QE    LYS+  74   3.42 +/- 0.43  51.716% * 99.4757% (0.80 10.00   4.62 186.67) =  99.953%  kept
          QG2   THR   26 - QE    LYS+  74   9.71 +/- 2.66  13.001% *  0.0654% (0.53  1.00   0.02   0.02) =   0.017%
          HG2   LYS+  65 - QE    LYS+  74   8.79 +/- 3.57  12.247% *  0.0557% (0.45  1.00   0.02   0.02) =   0.013%
          HG    LEU   67 - QE    LYS+  74   9.63 +/- 3.89  15.973% *  0.0310% (0.25  1.00   0.02   0.02) =   0.010%
          HG    LEU  115 - QE    LYS+  74  12.62 +/- 1.81   1.415% *  0.0853% (0.69  1.00   0.02   0.02) =   0.002%
          HB3   LEU   40 - QE    LYS+  74  13.56 +/- 2.04   1.080% *  0.1114% (0.90  1.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QE    LYS+  74  15.69 +/- 2.70   0.811% *  0.0853% (0.69  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QE    LYS+  74  17.22 +/- 3.06   0.867% *  0.0466% (0.38  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  74  12.33 +/- 2.10   1.784% *  0.0218% (0.18  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  74  12.87 +/- 1.56   1.107% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.29 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 186.7:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.35 +/- 0.39  90.512% * 99.1206% (1.00  10.0 10.00   4.54 186.67) =  99.993%  kept
          HG13  ILE   19 - QE    LYS+  74  10.13 +/- 2.89   2.006% *  0.0915% (0.92   1.0  1.00   0.02   8.38) =   0.002%
        T HG3   LYS+ 111 - QE    LYS+  74  17.26 +/- 2.29   0.308% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  74  11.48 +/- 2.27   1.433% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+  74  12.43 +/- 1.17   0.811% *  0.0989% (1.00   1.0  1.00   0.02   0.24) =   0.001%
          QB    ALA   91 - QE    LYS+  74  12.14 +/- 2.46   1.060% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+  74  12.78 +/- 2.51   1.256% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - QE    LYS+  74  10.55 +/- 2.99   2.040% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  18.10 +/- 2.20   0.283% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.80 +/- 3.35   0.292% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.983, support = 4.0, residual support = 182.9:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.16 +/- 0.31  50.469% * 93.7823% (1.00  10.0 10.00   4.00 186.67) =  97.574%  kept
          HB    VAL   75 - QE    LYS+  74   5.03 +/- 1.34  19.869% *  5.8024% (0.31   1.0  1.00   4.01  31.83) =   2.377%  kept
          QD1   LEU   67 - QE    LYS+  74   7.18 +/- 3.17  21.771% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.039%
          QD2   LEU   71 - QE    LYS+  74   9.58 +/- 0.97   2.327% *  0.0644% (0.69   1.0  1.00   0.02   0.24) =   0.003%
          QG2   ILE  103 - QE    LYS+  74  13.54 +/- 2.20   1.150% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QE    LYS+  74  11.65 +/- 1.34   1.219% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - QE    LYS+  74  13.08 +/- 2.53   1.305% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - QE    LYS+  74  12.17 +/- 2.83   1.890% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 186.7:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.30 +/- 0.13  85.480% * 99.2156% (1.00  10.0 10.00   4.97 186.67) =  99.989%  kept
          QD    LYS+  65 - QE    LYS+  74   8.35 +/- 3.45   7.825% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QB    ALA   57 - QE    LYS+  74  10.04 +/- 3.12   2.202% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  33 - QE    LYS+  74  13.21 +/- 3.06   2.471% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - QE    LYS+  74  17.87 +/- 2.54   0.266% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  11.53 +/- 2.39   0.973% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - QE    LYS+  74  16.73 +/- 3.15   0.353% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  18.14 +/- 2.22   0.219% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  19.50 +/- 3.70   0.211% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 3.44, residual support = 82.5:
    * O T HB    VAL   75 - HA    VAL   75   2.82 +/- 0.26  80.581% * 93.6680% (1.00  10.0 10.00   3.44  82.98) =  99.140%  kept
          HG3   LYS+  74 - HA    VAL   75   5.85 +/- 0.78  11.179% *  5.7897% (0.31   1.0  1.00   4.01  31.83) =   0.850%  kept
        T QD1   ILE  119 - HA    VAL   75  13.67 +/- 2.09   1.052% *  0.3851% (0.41   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU   67 - HA    VAL   75   8.92 +/- 1.51   4.071% *  0.0493% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HA    VAL   75  11.63 +/- 1.18   1.243% *  0.0530% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HA    VAL   75  12.88 +/- 2.00   1.171% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL   75  16.28 +/- 2.36   0.704% *  0.0164% (0.18   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 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T QG1   VAL   75 - HA    VAL   75   2.77 +/- 0.15  98.416% * 99.9055% (1.00  10.0 10.00   4.00  82.98) =  99.998%  kept
          QD1   LEU  115 - HA    VAL   75  11.75 +/- 1.31   1.584% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T QG2   VAL   75 - HA    VAL   75   2.27 +/- 0.35  97.463% * 99.9036% (1.00  10.0 10.00   4.00  82.98) =  99.997%  kept
          QG2   VAL   42 - HA    VAL   75   8.96 +/- 1.06   2.537% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.15 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 = 83.0:
    * O T HA    VAL   75 - HB    VAL   75   2.82 +/- 0.26  92.672% * 99.7003% (1.00  10.0 10.00   3.44  82.98) =  99.996%  kept
        T HA    ILE  119 - HB    VAL   75  15.21 +/- 2.41   0.855% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   61 - HB    VAL   75   9.15 +/- 2.00   4.932% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - HB    VAL   75  15.63 +/- 2.51   0.929% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    VAL   75  16.23 +/- 1.91   0.612% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.0:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.02  98.842% * 99.9055% (1.00  10.0 10.00   3.44  82.98) =  99.999%  kept
          QD1   LEU  115 - HB    VAL   75   9.90 +/- 1.22   1.158% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 83.0:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  96.858% * 99.0442% (1.00  10.0 10.00   3.31  82.98) =  99.969%  kept
        T QG2   VAL   42 - HB    VAL   75   7.43 +/- 1.05   3.142% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.031%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T HA    VAL   75 - QG1   VAL   75   2.77 +/- 0.15  93.344% * 99.6578% (1.00  10.0 10.00   4.00  82.98) =  99.990%  kept
        T HA    ALA   61 - QG1   VAL   75   9.11 +/- 1.71   3.446% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.008%
          HD3   PRO   58 - QG1   VAL   75  13.90 +/- 2.36   1.277% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG1   VAL   75  13.62 +/- 1.87   0.942% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  13.26 +/- 1.53   0.991% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 82.9:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.02  89.065% * 94.0134% (1.00  10.0 10.00   3.44  82.98) =  99.774%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.62 +/- 0.65   3.221% *  5.7901% (0.31   1.0  1.00   3.99  31.83) =   0.222%  kept
          QD1   LEU   67 - QG1   VAL   75   7.67 +/- 1.12   2.662% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG1   VAL   75   9.40 +/- 1.38   1.433% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG1   VAL   75   9.60 +/- 1.76   1.654% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG1   VAL   75  10.60 +/- 1.81   0.984% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  12.51 +/- 2.27   0.981% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T QG2   VAL   75 - QG1   VAL   75   2.03 +/- 0.07  96.938% * 99.9036% (1.00  10.0 10.00   4.00  82.98) =  99.997%  kept
          QG2   VAL   42 - QG1   VAL   75   7.01 +/- 1.01   3.062% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T HA    VAL   75 - QG2   VAL   75   2.27 +/- 0.35  95.468% * 99.8572% (1.00  10.0 10.00   4.00  82.98) =  99.999%  kept
          HA    ALA   61 - QG2   VAL   75   8.66 +/- 1.59   2.717% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   VAL   75  14.14 +/- 1.71   0.616% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  119 - QG2   VAL   75  13.55 +/- 1.88   0.677% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.34 +/- 1.38   0.522% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.31, residual support = 82.8:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  88.219% * 93.9979% (1.00  10.0 10.00   3.31  82.98) =  99.749%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.38 +/- 0.60   3.529% *  5.8057% (0.31   1.0  1.00   4.00  31.83) =   0.246%  kept
          QD1   LEU   67 - QG2   VAL   75   7.02 +/- 0.76   2.818% *  0.0495% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QG2   VAL   75   8.39 +/- 1.13   1.651% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QG2   VAL   75   9.16 +/- 1.66   1.695% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   75  10.69 +/- 1.72   0.935% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  11.76 +/- 2.04   1.152% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.0:
    * O T QG1   VAL   75 - QG2   VAL   75   2.03 +/- 0.07  98.150% * 99.9055% (1.00  10.0 10.00   4.00  82.98) =  99.998%  kept
          QD1   LEU  115 - QG2   VAL   75   8.96 +/- 1.38   1.850% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 2.84, residual support = 35.4:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.89 +/- 0.16  69.582% * 91.1948% (1.00  10.0 10.00   2.85  35.74) =  98.770%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.57 +/- 0.74  11.947% *  4.7539% (0.73   1.0  1.00   1.44   4.09) =   0.884%  kept
        T QE    LYS+  66 - HA    LEU   67   6.82 +/- 0.85   6.455% *  3.3310% (0.04   1.0 10.00   3.46  15.26) =   0.335%  kept
        T QE    LYS+  33 - HA    ASP-  76  16.71 +/- 3.65   1.796% *  0.2030% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          HB2   ASN   69 - HA    LEU   67   6.92 +/- 0.88   6.479% *  0.0147% (0.16   1.0  1.00   0.02   2.95) =   0.001%
        T QE    LYS+  66 - HA    ASP-  76  16.46 +/- 2.14   0.450% *  0.2030% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP-  76 - HA    LEU   67  16.15 +/- 2.43   0.515% *  0.1496% (0.16   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HA    LEU   67  14.42 +/- 2.43   0.973% *  0.0333% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    ASP-  76  19.25 +/- 2.44   0.305% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  14.83 +/- 3.35   0.953% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  19.86 +/- 2.77   0.266% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  19.81 +/- 2.44   0.280% *  0.0023% (0.03   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 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 35.7:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.73 +/- 0.24  85.425% * 99.2676% (0.87  10.0 10.00   2.99  35.74) =  99.992%  kept
          HG3   MET   92 - HA    ASP-  76  11.46 +/- 4.86   3.554% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.004%
        T HB3   ASP-  76 - HA    LEU   67  16.46 +/- 2.47   0.593% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ASP-  76  16.57 +/- 3.58   0.614% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    ASP-  76  12.11 +/- 1.86   1.175% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ASP-  76  18.42 +/- 1.87   0.317% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76  11.91 +/- 2.16   1.595% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  12.15 +/- 3.86   3.254% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  22.75 +/- 2.90   0.217% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  17.72 +/- 3.22   0.441% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  14.64 +/- 3.06   0.748% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  17.04 +/- 2.45   0.431% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  13.61 +/- 1.70   0.812% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  19.46 +/- 2.63   0.342% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  20.84 +/- 3.08   0.280% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  21.39 +/- 1.58   0.203% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 35.7:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.89 +/- 0.16  87.205% * 99.3094% (1.00  10.0 10.00   2.85  35.74) =  99.988%  kept
        T HA    LEU   67 - QE    LYS+  66   6.82 +/- 0.85   8.113% *  0.0515% (0.05   1.0 10.00   0.02  15.26) =   0.005%
        T HA    ASP-  76 - QE    LYS+  33  16.71 +/- 3.65   2.242% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.004%
        T HA    LEU   67 - HB2   ASP-  76  16.15 +/- 2.43   0.646% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASP-  76 - QE    LYS+  66  16.46 +/- 2.14   0.564% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.42 +/- 2.43   1.230% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.84, residual support = 35.7:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  93.193% * 98.9845% (0.87  10.0 10.00   2.84  35.74) =  99.998%  kept
        T HB3   ASP-  76 - QE    LYS+  33  16.61 +/- 3.55   0.304% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  13.44 +/- 4.66   0.421% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  33   7.02 +/- 1.41   2.719% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  17.73 +/- 1.78   0.099% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  15.58 +/- 3.55   0.173% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.20 +/- 1.77   0.257% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  22.82 +/- 3.59   0.104% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  16.66 +/- 3.79   0.390% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  19.89 +/- 1.93   0.072% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  12.81 +/- 2.20   0.340% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  13.56 +/- 3.77   0.377% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66  11.59 +/- 2.80   0.485% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  19.74 +/- 2.86   0.082% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.63 +/- 2.80   0.321% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  20.05 +/- 3.40   0.087% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.68 +/- 2.26   0.088% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  20.34 +/- 2.56   0.070% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  21.56 +/- 2.79   0.068% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  16.25 +/- 2.50   0.134% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.33 +/- 2.27   0.033% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  21.78 +/- 3.21   0.066% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  21.81 +/- 2.49   0.058% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  21.69 +/- 2.42   0.057% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 35.7:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.73 +/- 0.24  99.310% * 99.7513% (0.87  10.0 10.00   2.99  35.74) =  99.998%  kept
        T HA    LEU   67 - HB3   ASP-  76  16.46 +/- 2.47   0.690% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 35.7:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  90.853% * 97.6066% (0.87  10.0 10.00   2.84  35.74) =  99.828%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.37 +/- 0.79   8.212% *  1.8481% (0.63   1.0  1.00   0.52   4.09) =   0.171%  kept
        T QE    LYS+  33 - HB3   ASP-  76  16.61 +/- 3.55   0.295% *  0.2173% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  66 - HB3   ASP-  76  17.73 +/- 1.78   0.096% *  0.2173% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  20.40 +/- 3.42   0.096% *  0.0957% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  14.35 +/- 3.40   0.449% *  0.0151% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 2.99, residual support = 37.3:
    * O T HB    THR   77 - HA    THR   77   2.55 +/- 0.14  86.722% * 93.3556% (1.00  10.0 10.00   3.00  37.50) =  99.538%  kept
          HA    GLU-  79 - HA    THR   77   6.37 +/- 0.45   6.130% *  6.0505% (0.69   1.0  1.00   1.89   0.02) =   0.456%  kept
          HA    ASP-  44 - HA    THR   77   9.21 +/- 1.25   2.150% *  0.0925% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HA    THR   77  10.04 +/- 1.35   1.712% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - HA    THR   77  16.96 +/- 2.48   0.407% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.91 +/- 1.13   0.950% *  0.0350% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  20.69 +/- 3.11   0.398% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  27.53 +/- 7.18   0.199% *  0.0915% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  17.08 +/- 3.01   0.378% *  0.0454% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  17.12 +/- 4.23   0.557% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  26.46 +/- 6.07   0.194% *  0.0384% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  23.55 +/- 4.24   0.201% *  0.0288% (0.31   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 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   2.51 +/- 0.33  86.994% * 99.7982% (1.00  10.0 10.00   3.00  37.50) =  99.990%  kept
          QB    ALA   88 - HA    THR   77  10.00 +/- 1.94   9.393% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.009%
          QG2   THR   23 - HA    THR   77  12.36 +/- 3.27   2.868% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    THR   77  24.23 +/- 3.96   0.229% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  21.61 +/- 2.52   0.240% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  18.92 +/- 2.78   0.275% *  0.0154% (0.15   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 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   2.55 +/- 0.14  94.561% * 99.9104% (1.00  10.0 10.00   3.00  37.50) =  99.997%  kept
          HD2   PRO   93 - HB    THR   77   9.82 +/- 4.08   4.169% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB    THR   77  13.27 +/- 3.44   1.270% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.5:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  91.384% * 99.5496% (1.00  10.0 10.00   2.71  37.50) =  99.992%  kept
          QB    ALA   88 - HB    THR   77  10.00 +/- 2.31   7.627% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.007%
        T QG2   THR   23 - HB    THR   77  13.83 +/- 2.82   0.549% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HB    THR   77  25.98 +/- 4.16   0.094% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.04 +/- 3.39   0.255% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  23.08 +/- 2.66   0.091% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.5:
    * O T HA    THR   77 - QG2   THR   77   2.51 +/- 0.33  89.318% * 99.9104% (1.00  10.0 10.00   3.00  37.50) =  99.995%  kept
          HD2   PRO   93 - QG2   THR   77   7.50 +/- 3.36   8.629% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          HB2   TRP   27 - QG2   THR   77  10.67 +/- 2.56   2.053% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.71, residual support = 37.4:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  88.877% * 92.4171% (1.00  10.0 10.00   2.71  37.50) =  99.695%  kept
          HA    ASP-  44 - QG2   THR   77   7.15 +/- 1.63   3.511% *  7.0230% (0.99   1.0  1.00   1.53   0.02) =   0.299%  kept
          HA    GLU-  79 - QG2   THR   77   7.24 +/- 0.48   2.492% *  0.0635% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - QG2   THR   77   9.20 +/- 1.36   1.511% *  0.0924% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  103 - QG2   THR   77  14.50 +/- 1.80   0.345% *  0.0906% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  11.02 +/- 1.45   0.813% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  12.62 +/- 2.81   0.623% *  0.0450% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  23.22 +/- 6.28   0.289% *  0.0906% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  12.84 +/- 3.70   0.894% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  17.71 +/- 2.23   0.234% *  0.0561% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  22.33 +/- 5.27   0.228% *  0.0380% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  19.90 +/- 3.45   0.183% *  0.0285% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.43, residual support = 39.6:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.89 +/- 0.17  85.593% * 96.5437% (1.00  10.0 10.00   3.44  39.74) =  99.576%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.08 +/- 0.67  10.851% *  3.2291% (0.73   1.0  1.00   0.92   4.09) =   0.422%  kept
          QE    LYS+  33 - HA    ASP-  78  20.54 +/- 3.63   0.574% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  16.85 +/- 3.54   0.612% *  0.0508% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  18.34 +/- 4.42   0.764% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASP-  78  12.02 +/- 1.31   1.381% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  24.56 +/- 3.57   0.225% *  0.0586% (0.61   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 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.7:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.79 +/- 0.20  93.371% * 99.8720% (1.00  10.0 10.00   2.31  39.74) =  99.998%  kept
          QB    CYS   50 - HA    ASP-  78  13.11 +/- 3.89   3.736% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HA    ASP-  78  10.30 +/- 1.68   2.524% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - HA    ASP-  78  25.38 +/- 3.11   0.189% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  23.78 +/- 2.74   0.181% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.44, residual support = 39.7:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.89 +/- 0.17  88.693% * 97.3065% (1.00  10.0 10.00   3.44  39.74) =  99.814%  kept
          HA    LEU   80 - HB2   ASP-  78   7.54 +/- 0.79   6.145% *  2.5609% (0.49   1.0  1.00   1.08   5.96) =   0.182%  kept
          HA    THR   23 - HB2   ASP-  78  12.31 +/- 4.83   3.445% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    THR   23 - HB2   ASP-  78  13.99 +/- 4.56   1.510% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - HB2   ASP-  78  23.12 +/- 2.47   0.207% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 39.7:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  96.579% * 99.8720% (1.00  10.0 10.00   2.82  39.74) =  99.999%  kept
          QB    CYS   50 - HB2   ASP-  78  12.70 +/- 4.48   2.404% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  74 - HB2   ASP-  78   9.24 +/- 1.76   0.913% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  24.93 +/- 3.39   0.055% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  23.76 +/- 3.12   0.050% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 39.7:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.79 +/- 0.20  90.778% * 99.8154% (1.00  10.0 10.00   2.31  39.74) =  99.994%  kept
          HA    THR   23 - HB3   ASP-  78  12.32 +/- 4.56   2.808% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU   80 - HB3   ASP-  78   7.82 +/- 0.73   4.769% *  0.0486% (0.49   1.0  1.00   0.02   5.96) =   0.003%
          HB    THR   23 - HB3   ASP-  78  14.02 +/- 4.24   1.450% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 105 - HB3   ASP-  78  23.23 +/- 2.57   0.195% *  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 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 39.7:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  93.050% * 97.3777% (1.00  10.0 10.00   2.82  39.74) =  99.838%  kept
          HB2   ASP-  76 - HB3   ASP-  78   4.91 +/- 1.01   6.145% *  2.3932% (0.73   1.0  1.00   0.68   4.09) =   0.162%  kept
          QE    LYS+  65 - HB3   ASP-  78  17.28 +/- 4.57   0.249% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  19.94 +/- 3.57   0.134% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  16.95 +/- 3.28   0.147% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  13.75 +/- 1.27   0.221% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  23.92 +/- 3.66   0.054% *  0.0591% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.38, residual support = 56.6:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.97 +/- 0.15  95.158% * 98.4729% (1.00  10.0 10.00   4.38  56.64) =  99.992%  kept
        T HG3   GLU-  36 - HA    GLU-  79  24.56 +/- 4.45   0.348% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.004%
          HG2   MET   92 - HA    GLU-  79  14.29 +/- 4.15   1.751% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T QB    MET   11 - HA    GLU-  79  23.86 +/- 6.76   0.508% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HA    GLU-  79  15.09 +/- 5.12   1.267% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - HA    GLU-  79  19.70 +/- 5.04   0.680% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HA    GLU-  79  20.96 +/- 1.63   0.288% *  0.0976% (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 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.6:
    * O T QG    GLU-  79 - HA    GLU-  79   2.50 +/- 0.21  98.196% * 99.7507% (1.00  10.0 10.00   3.52  56.64) =  99.999%  kept
          QG    GLN   32 - HA    GLU-  79  18.60 +/- 4.48   0.623% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HA    GLU-  79  24.11 +/- 4.61   0.390% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  20.42 +/- 3.35   0.445% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.30 +/- 1.68   0.230% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  24.84 +/- 2.13   0.117% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 4.38, residual support = 56.6:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.97 +/- 0.15  86.698% * 97.2544% (1.00  10.0 10.00   4.38  56.64) =  99.839%  kept
          HB    THR   77 - HB2   GLU-  79   7.49 +/- 0.56   5.850% *  2.2317% (0.69   1.0  1.00   0.67   0.02) =   0.155%  kept
          HA    ILE  103 - HB2   GLU-  79  18.25 +/- 3.66   1.646% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   39 - HB2   GLU-  79  19.67 +/- 3.98   1.306% *  0.0964% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLU-  79  11.47 +/- 1.53   1.756% *  0.0590% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  12.95 +/- 1.09   1.222% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLU-  79  19.37 +/- 3.79   0.499% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB2   GLU-  79  18.91 +/- 4.99   0.565% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  24.82 +/- 7.31   0.458% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 56.6:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.24 +/- 0.10  98.738% * 99.7507% (1.00  10.0 10.00   3.50  56.64) =  99.999%  kept
          QG    GLN   32 - HB2   GLU-  79  17.36 +/- 4.09   0.384% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  22.31 +/- 4.06   0.218% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  18.35 +/- 3.38   0.359% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.56 +/- 2.13   0.201% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  23.09 +/- 2.60   0.101% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 56.6:
    * O T HA    GLU-  79 - QG    GLU-  79   2.50 +/- 0.21  87.283% * 99.4064% (1.00  10.0 10.00   3.52  56.64) =  99.989%  kept
          HA    ILE  103 - QG    GLU-  79  17.16 +/- 4.10   5.510% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB    THR   77 - QG    GLU-  79   8.33 +/- 0.50   2.655% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   39 - QG    GLU-  79  18.00 +/- 4.16   1.288% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG    GLU-  79  11.72 +/- 1.59   1.251% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QG    GLU-  79  12.44 +/- 1.01   0.791% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QG    GLU-  79  18.38 +/- 3.86   0.414% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  18.06 +/- 4.61   0.450% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  22.16 +/- 6.39   0.358% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 56.6:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.24 +/- 0.10  96.615% * 99.5443% (1.00  10.0 10.00   3.50  56.64) =  99.998%  kept
          HG3   GLU-  25 - QG    GLU-  79  12.68 +/- 4.90   1.300% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QG    GLU-  79  13.76 +/- 3.42   0.698% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   52 - QG    GLU-  79  17.95 +/- 4.58   0.487% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  20.36 +/- 3.91   0.235% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  18.78 +/- 1.80   0.186% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  19.88 +/- 5.73   0.479% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.65, residual support = 84.8:
    *   T QD1   LEU   80 - HA    LEU   80   2.86 +/- 0.77  75.965% * 96.8699% (0.65 10.00   5.68  85.17) =  99.563%  kept
          QG2   VAL   41 - HA    LEU   80  11.26 +/- 3.04  15.263% *  1.9210% (0.84  1.00   0.31   0.02) =   0.397%  kept
        T QD2   LEU   98 - HA    LEU   80  12.33 +/- 3.00   2.689% *  0.9687% (0.65 10.00   0.02   0.02) =   0.035%
          QD1   LEU   73 - HA    LEU   80   9.43 +/- 1.81   4.542% *  0.0511% (0.34  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HA    LEU   80  15.50 +/- 2.07   0.790% *  0.1382% (0.92  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    LEU   80  15.85 +/- 2.59   0.751% *  0.0511% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 0 structures by 0.09 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.25, residual support = 84.9:
    * O   HA    LEU   80 - HB2   LEU   80   2.68 +/- 0.29  85.808% * 95.9469% (1.00  10.0   5.26  85.17) =  99.719%  kept
          HA    ASP-  78 - HB2   LEU   80   7.31 +/- 0.93   6.080% *  2.6996% (0.49   1.0   1.16   5.96) =   0.199%  kept
          HA    THR   23 - HB2   LEU   80   9.99 +/- 5.95   5.554% *  1.1875% (0.80   1.0   0.31   1.78) =   0.080%
          HB    THR   23 - HB2   LEU   80  11.88 +/- 5.81   2.168% *  0.0926% (0.97   1.0   0.02   1.78) =   0.002%
          HA    ASP- 105 - HB2   LEU   80  18.39 +/- 2.87   0.390% *  0.0733% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.653, support = 4.86, residual support = 82.2:
    * O T QD1   LEU   80 - HB2   LEU   80   2.79 +/- 0.40  75.788% * 82.5905% (0.65  10.0 10.00   5.03  85.17) =  96.486%  kept
        T QG2   VAL   41 - HB2   LEU   80  10.09 +/- 2.88  13.749% * 16.3786% (0.84   1.0 10.00   0.31   0.02) =   3.471%  kept
        T QD2   LEU   98 - HB2   LEU   80  11.14 +/- 2.70   2.903% *  0.8259% (0.65   1.0 10.00   0.02   0.02) =   0.037%
          QD1   LEU   73 - HB2   LEU   80   8.28 +/- 2.22   5.648% *  0.0435% (0.34   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU   80  13.91 +/- 2.58   0.877% *  0.1179% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   LEU   80  14.26 +/- 3.06   1.035% *  0.0435% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.05 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.644, support = 5.58, residual support = 83.5:
    *   T HA    LEU   80 - QD1   LEU   80   2.86 +/- 0.77  57.296% * 91.3469% (0.65 10.00   5.68  85.17) =  97.995%  kept
          HA    THR   23 - QD1   LEU   80   7.34 +/- 5.71  20.345% *  3.8485% (0.52  1.00   1.05   1.78) =   1.466%  kept
          HA    ASP-  78 - QD1   LEU   80   6.63 +/- 0.82   8.836% *  1.9154% (0.31  1.00   0.86   5.96) =   0.317%  kept
          HB    THR   23 - QD1   LEU   80   8.83 +/- 5.54   4.909% *  2.1379% (0.62  1.00   0.49   1.78) =   0.197%  kept
        T HA    LEU   80 - QD2   LEU   98  12.33 +/- 3.00   2.076% *  0.5236% (0.37 10.00   0.02   0.02) =   0.020%
          HA    ASP- 105 - QD2   LEU   98   8.59 +/- 1.26   3.328% *  0.0400% (0.28  1.00   0.02   6.92) =   0.002%
          HA    ASP- 105 - QD1   LEU   80  16.35 +/- 2.58   0.606% *  0.0698% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ASP-  78 - QD2   LEU   98  15.51 +/- 2.86   1.379% *  0.0255% (0.18  1.00   0.02   0.02) =   0.001%
          HB    THR   23 - QD2   LEU   98  16.02 +/- 2.76   0.589% *  0.0505% (0.36  1.00   0.02   0.02) =   0.001%
          HA    THR   23 - QD2   LEU   98  15.34 +/- 2.83   0.637% *  0.0419% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.07 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 = 5.19, residual support = 104.7:
    * O T QB    LYS+  81 - HA    LYS+  81   2.43 +/- 0.16  94.186% * 97.5498% (1.00  10.0 10.00   5.19 104.66) =  99.993%  kept
          HB3   GLN   90 - HA    LYS+  81   9.61 +/- 1.75   2.104% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   ARG+  54 - HA    LYS+  81  21.94 +/- 3.90   0.185% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   PRO   68 - HA    LYS+  81  24.70 +/- 2.87   0.106% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  81  15.49 +/- 2.29   0.472% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    LYS+  81  20.62 +/- 4.14   0.264% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.47 +/- 2.47   1.127% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  18.12 +/- 2.99   0.305% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  19.47 +/- 3.01   0.218% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  20.28 +/- 2.47   0.196% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  16.59 +/- 4.16   0.378% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  21.73 +/- 3.05   0.160% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  26.13 +/- 4.04   0.118% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.27 +/- 2.21   0.107% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  28.62 +/- 3.24   0.074% *  0.0151% (0.15   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 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 104.6:
    * O T QG    LYS+  81 - HA    LYS+  81   2.38 +/- 0.57  98.204% * 98.1658% (1.00  10.0 10.00   4.22 104.66) =  99.993%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  17.97 +/- 2.86   0.459% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  33 - HA    LYS+  81  21.13 +/- 3.57   0.306% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.003%
          HD3   LYS+  74 - HA    LYS+  81  14.46 +/- 1.76   0.824% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  21.38 +/- 2.42   0.206% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.07 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 104.7:
    *   T QD    LYS+  81 - HA    LYS+  81   3.56 +/- 0.63  94.959% * 99.7569% (1.00 10.00   3.44 104.66) =  99.995%  kept
          HB    VAL   43 - HA    LYS+  81  11.36 +/- 2.14   4.139% *  0.0989% (0.99  1.00   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HA    LYS+  81  22.55 +/- 2.90   0.448% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.99 +/- 4.78   0.454% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 104.7:
    *   T QE    LYS+  81 - HA    LYS+  81   3.61 +/- 0.57  98.575% * 99.9825% (1.00 10.00   3.44 104.66) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  17.19 +/- 3.27   1.425% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 104.7:
    * O T HA    LYS+  81 - QB    LYS+  81   2.43 +/- 0.16  93.345% * 98.7606% (1.00  10.0 10.00   5.19 104.66) =  99.995%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.64 +/- 0.37   3.096% *  0.0733% (0.07   1.0 10.00   0.02   1.91) =   0.002%
        T HA    ARG+  54 - QB    LYS+  81  19.88 +/- 3.26   0.223% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HB3   PRO   52  20.62 +/- 4.14   0.262% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  20.36 +/- 1.52   0.173% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  24.11 +/- 4.14   0.174% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  13.37 +/- 2.55   0.860% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  13.57 +/- 4.49   0.856% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  20.27 +/- 3.72   0.315% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  30.56 +/- 2.63   0.053% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  24.26 +/- 5.73   0.357% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  22.16 +/- 2.49   0.150% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.25 +/- 3.07   0.037% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.91 +/- 3.71   0.100% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 104.7:
    * O T QG    LYS+  81 - QB    LYS+  81   2.08 +/- 0.03  94.602% * 97.8497% (1.00  10.0 10.00   4.76 104.66) =  99.996%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  17.93 +/- 2.52   0.187% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QB    LYS+  81  19.61 +/- 3.68   0.152% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QG    LYS+  81 - HB3   PRO   52  19.16 +/- 4.33   0.227% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  21.03 +/- 3.32   0.136% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.34 +/- 4.77   3.750% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  13.82 +/- 1.62   0.375% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.87 +/- 2.75   0.040% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  20.94 +/- 2.21   0.104% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  16.55 +/- 4.00   0.427% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 104.7:
    * O T QD    LYS+  81 - QB    LYS+  81   2.16 +/- 0.17  98.122% * 99.6151% (1.00  10.0 10.00   3.96 104.66) =  99.998%  kept
          HB    VAL   43 - QB    LYS+  81  11.97 +/- 1.82   1.022% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HB3   PRO   52  20.13 +/- 4.36   0.188% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  21.68 +/- 2.92   0.176% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.33 +/- 4.50   0.114% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  18.88 +/- 2.26   0.184% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  26.40 +/- 3.28   0.066% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  23.94 +/- 3.92   0.128% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 104.7:
    *     QE    LYS+  81 - QB    LYS+  81   3.02 +/- 0.66  93.820% * 99.8438% (1.00   3.96 104.66) =  99.998%  kept
          HB3   TRP   49 - QB    LYS+  81  16.35 +/- 3.27   1.177% *  0.0883% (0.18   0.02   0.02) =   0.001%
          QE    LYS+  81 - HB3   PRO   52  19.08 +/- 4.38   0.905% *  0.0578% (0.11   0.02   0.02) =   0.001%
          HB3   TRP   49 - HB3   PRO   52   9.59 +/- 1.15   4.098% *  0.0101% (0.02   0.02   3.11) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 104.7:
    * O T HA    LYS+  81 - QG    LYS+  81   2.38 +/- 0.57  85.769% * 98.8267% (1.00  10.0 10.00   4.22 104.66) =  99.994%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.04 +/- 0.75   3.363% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  81 - HG2   LYS+  33  21.13 +/- 3.57   0.267% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG2   LYS+ 106  17.97 +/- 2.86   0.400% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG2   LYS+  33  27.08 +/- 7.80   1.592% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG2   LYS+  33   8.70 +/- 0.63   3.088% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  24.73 +/- 3.90   0.252% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  19.24 +/- 3.38   0.277% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  14.10 +/- 4.31   1.020% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  11.48 +/- 2.27   1.671% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  21.35 +/- 5.40   0.272% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  30.28 +/- 2.92   0.056% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  25.53 +/- 3.20   0.118% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  22.90 +/- 1.84   0.165% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.18 +/- 2.67   0.405% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.87 +/- 2.29   0.209% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  19.89 +/- 1.82   0.191% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  22.05 +/- 2.70   0.160% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.81 +/- 2.94   0.375% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.18 +/- 2.54   0.140% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.17 +/- 2.33   0.209% *  0.0034% (0.03   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.79, support = 5.03, residual support = 119.3:
    * O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  35.338% * 56.3068% (1.00  10.0 10.00   4.76 104.66) =  65.900%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.28 +/- 0.10  27.118% * 26.0169% (0.46  10.0 10.00   5.63 154.33) =  23.367%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.32 +/- 0.12  25.829% * 12.3616% (0.22  10.0 10.00   5.39 134.30) =  10.575%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.12 +/- 0.83   1.685% *  2.6599% (0.20   1.0  1.00   4.79  24.63) =   0.148%  kept
        T QB    LYS+ 106 - QG    LYS+  81  15.46 +/- 2.11   0.104% *  0.5618% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HG2   LYS+  33  17.13 +/- 4.18   1.898% *  0.0216% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QG    LYS+  81  18.42 +/- 2.99   0.065% *  0.5434% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QG    LYS+  81   9.49 +/- 1.72   0.555% *  0.0558% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.26 +/- 0.66   2.479% *  0.0101% (0.18   1.0  1.00   0.02   0.47) =   0.001%
          HB    ILE  103 - HG2   LYS+ 106   6.25 +/- 1.97   2.349% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  19.61 +/- 3.68   0.057% *  0.2696% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.07 +/- 2.05   0.052% *  0.2690% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.93 +/- 2.52   0.070% *  0.1239% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  19.16 +/- 4.33   0.086% *  0.0869% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  11.91 +/- 3.17   0.426% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.56 +/- 1.94   0.047% *  0.1196% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.16 +/- 1.36   0.273% *  0.0153% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  18.05 +/- 2.86   0.081% *  0.0470% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  20.33 +/- 3.92   0.055% *  0.0488% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  19.94 +/- 2.35   0.045% *  0.0505% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  16.09 +/- 3.79   0.098% *  0.0211% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  20.64 +/- 2.89   0.044% *  0.0409% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  18.57 +/- 3.98   0.162% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.04 +/- 3.28   0.068% *  0.0225% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.54 +/- 2.29   0.115% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.45 +/- 2.86   0.030% *  0.0451% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.72 +/- 2.07   0.052% *  0.0242% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  24.88 +/- 4.00   0.037% *  0.0319% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  21.03 +/- 3.32   0.052% *  0.0191% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  17.54 +/- 2.10   0.069% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.87 +/- 2.75   0.015% *  0.0416% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  25.74 +/- 6.07   0.119% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.68 +/- 2.49   0.018% *  0.0267% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.94 +/- 2.14   0.022% *  0.0196% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.25 +/- 3.38   0.019% *  0.0234% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.09 +/- 2.34   0.055% *  0.0070% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.95 +/- 2.02   0.029% *  0.0107% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  16.22 +/- 1.86   0.088% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.41 +/- 1.96   0.057% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.88 +/- 2.27   0.030% *  0.0076% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  26.91 +/- 3.33   0.021% *  0.0087% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.33 +/- 3.73   0.080% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  19.30 +/- 3.65   0.063% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.75 +/- 1.89   0.018% *  0.0067% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.63 +/- 2.50   0.027% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 104.7:
    * O T QD    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  94.872% * 98.8994% (1.00  10.0 10.00   3.75 104.66) =  99.997%  kept
          HB    VAL   43 - QG    LYS+  81  12.02 +/- 2.03   1.005% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HG2   LYS+  33  21.53 +/- 3.57   0.106% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  81 - HG2   LYS+ 106  18.99 +/- 2.84   0.166% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+ 106   9.65 +/- 2.07   1.445% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.54 +/- 1.96   1.109% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  15.21 +/- 2.59   0.293% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  15.73 +/- 2.39   0.263% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  21.96 +/- 2.78   0.112% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  13.43 +/- 2.50   0.469% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  22.47 +/- 4.27   0.090% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.83 +/- 2.70   0.072% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 104.7:
    * O   QE    LYS+  81 - QG    LYS+  81   2.16 +/- 0.17  99.044% * 99.9005% (1.00  10.0   3.75 104.66) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  15.52 +/- 3.72   0.425% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  21.53 +/- 3.42   0.136% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.40 +/- 3.12   0.214% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  27.99 +/- 3.61   0.066% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.36 +/- 2.87   0.115% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 104.7:
    *   T HA    LYS+  81 - QD    LYS+  81   3.56 +/- 0.63  95.873% * 99.7133% (1.00 10.00   3.44 104.66) =  99.998%  kept
          HA    ARG+  54 - QD    LYS+  81  20.52 +/- 3.29   0.877% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QD    LYS+  81  26.06 +/- 3.98   0.323% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  15.31 +/- 4.44   1.752% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  31.73 +/- 3.10   0.181% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.19 +/- 1.86   0.536% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  23.72 +/- 2.58   0.458% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 104.7:
    * O T QB    LYS+  81 - QD    LYS+  81   2.16 +/- 0.17  96.065% * 98.9997% (1.00  10.0 10.00   3.96 104.66) =  99.997%  kept
          HB3   GLN   90 - QD    LYS+  81   9.69 +/- 1.70   1.363% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD    LYS+  81  16.43 +/- 2.35   0.293% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  20.13 +/- 4.36   0.184% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  19.14 +/- 3.03   0.251% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  19.63 +/- 3.12   0.189% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  12.72 +/- 2.83   0.730% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  21.50 +/- 3.81   0.136% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  21.27 +/- 2.42   0.121% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.56 +/- 3.90   0.242% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  21.96 +/- 2.91   0.112% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  25.12 +/- 2.79   0.080% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  26.34 +/- 4.06   0.112% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  24.35 +/- 2.05   0.071% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  28.39 +/- 3.31   0.050% *  0.0153% (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 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 104.7:
    * O T QG    LYS+  81 - QD    LYS+  81   2.08 +/- 0.03  99.332% * 98.1658% (1.00  10.0 10.00   3.75 104.66) =  99.997%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  18.99 +/- 2.84   0.173% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QD    LYS+  81  21.53 +/- 3.57   0.111% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD    LYS+  81  15.33 +/- 1.52   0.273% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  21.41 +/- 2.72   0.111% *  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 = 104.7:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.03  99.654% * 99.9825% (1.00  10.0   3.00 104.66) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  16.40 +/- 3.72   0.346% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 104.7:
    *   T HA    LYS+  81 - QE    LYS+  81   3.61 +/- 0.57  95.361% * 99.7133% (1.00 10.00   3.44 104.66) =  99.998%  kept
          HA    ARG+  54 - QE    LYS+  81  19.55 +/- 3.55   1.023% *  0.0645% (0.65  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QE    LYS+  81  26.11 +/- 3.74   0.412% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.39 +/- 4.10   1.922% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.11 +/- 3.39   0.173% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  20.27 +/- 2.49   0.629% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  23.16 +/- 3.09   0.480% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.08 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.3:
    * O T HB2   SER   82 - HA    SER   82   2.81 +/- 0.21  76.696% * 97.1708% (0.95  10.0 10.00   2.96  33.29) =  99.963%  kept
        T HB2   SER   82 - HA    GLU-  25  12.08 +/- 6.38   3.258% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.014%
          HA    ALA   88 - HA    SER   82   8.05 +/- 1.01   7.988% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.008%
        T HA    SER   48 - HA    SER   82  17.72 +/- 3.24   0.515% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.007%
          HA    GLU-  29 - HA    GLU-  25   6.81 +/- 0.49   5.868% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   48 - HA    GLU-  25  20.32 +/- 5.56   0.537% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T HA    VAL   70 - HA    SER   82  22.69 +/- 2.45   0.162% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HA    GLU-  25  19.18 +/- 1.99   0.282% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  29 - HA    SER   82  17.87 +/- 5.00   0.424% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   32 - HA    GLU-  25  11.41 +/- 0.85   1.242% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  19.22 +/- 4.72   0.336% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.09 +/- 1.23   0.872% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  22.42 +/- 4.70   0.190% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  22.16 +/- 3.68   0.190% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.10 +/- 1.38   0.450% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  22.76 +/- 3.38   0.200% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  18.72 +/- 4.71   0.412% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  25.71 +/- 1.61   0.108% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.73 +/- 4.94   0.162% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  26.99 +/- 3.49   0.109% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HB3   SER   82 - HA    SER   82   2.82 +/- 0.19  84.134% * 98.8194% (1.00  10.0 10.00   2.00  33.29) =  99.980%  kept
        T HB3   SER   82 - HA    GLU-  25  12.09 +/- 6.37   3.537% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.014%
          HA    ILE   89 - HA    SER   82  10.49 +/- 1.17   2.223% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    SER   13 - HA    GLU-  25  18.32 +/- 5.22   4.412% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    SER   82  21.94 +/- 3.35   0.226% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    GLU-  25   9.40 +/- 0.51   2.398% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   CYS   53 - HA    GLU-  25  23.82 +/- 4.45   0.335% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  22.44 +/- 2.60   0.234% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  19.27 +/- 4.27   0.334% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  24.73 +/- 3.14   0.187% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  26.77 +/- 4.59   0.145% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  16.57 +/- 1.19   0.449% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  23.71 +/- 3.52   0.172% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.22 +/- 1.56   0.408% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  19.30 +/- 4.03   0.333% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.07 +/- 2.17   0.154% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.82 +/- 5.06   0.180% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  25.59 +/- 2.97   0.139% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.3:
    * O T HA    SER   82 - HB2   SER   82   2.81 +/- 0.21  85.437% * 97.8439% (0.95  10.0 10.00   2.96  33.29) =  99.965%  kept
        T HA    GLU-  25 - HB2   SER   82  12.08 +/- 6.38   3.622% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.026%
        T HA    SER   82 - HA    SER   48  17.72 +/- 3.24   0.590% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  25 - HA    SER   48  20.32 +/- 5.56   0.599% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  25 - HA    VAL   70  19.18 +/- 1.99   0.316% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    VAL   70  22.69 +/- 2.45   0.180% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - HA    SER   48   9.92 +/- 1.72   2.730% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  15.79 +/- 4.51   1.407% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.73 +/- 1.64   1.538% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  17.62 +/- 5.38   0.808% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  11.63 +/- 1.36   1.662% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  20.42 +/- 4.28   0.307% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  23.25 +/- 3.84   0.292% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  23.82 +/- 2.84   0.171% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  18.57 +/- 2.57   0.341% *  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 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  91.584% * 96.7159% (0.95  10.0 10.00   2.33  33.29) =  99.991%  kept
        T HD3   PRO   52 - HA    SER   48   9.44 +/- 1.09   0.718% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   SER   37 - HA    VAL   70  11.15 +/- 1.35   0.422% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    VAL   70  14.83 +/- 3.10   0.263% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   SER   82 - HA    SER   48  18.05 +/- 3.58   0.140% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HB2   SER   82  11.89 +/- 1.67   0.966% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    VAL   70   7.03 +/- 1.60   2.237% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   SER   82  24.53 +/- 3.77   0.044% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  21.52 +/- 2.92   0.071% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.89 +/- 1.40   1.525% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  14.56 +/- 2.60   0.337% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  22.71 +/- 3.65   0.056% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  17.32 +/- 4.62   0.131% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  20.65 +/- 2.73   0.071% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.91 +/- 2.00   0.301% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  13.85 +/- 4.21   0.444% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  22.74 +/- 3.14   0.058% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  23.15 +/- 5.42   0.079% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  25.17 +/- 4.44   0.040% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  21.77 +/- 3.93   0.071% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  23.21 +/- 3.01   0.047% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  18.47 +/- 1.90   0.094% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  22.43 +/- 3.80   0.078% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  20.10 +/- 1.36   0.064% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  26.50 +/- 3.62   0.035% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  24.06 +/- 2.53   0.039% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  18.98 +/- 2.36   0.084% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HA    SER   82 - HB3   SER   82   2.82 +/- 0.19  95.234% * 99.1601% (1.00  10.0 10.00   2.00  33.29) =  99.974%  kept
        T HA    GLU-  25 - HB3   SER   82  12.09 +/- 6.37   3.998% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.025%
        T HA    CYS   53 - HB3   SER   82  23.04 +/- 3.86   0.248% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  20.35 +/- 4.22   0.317% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  23.79 +/- 2.76   0.203% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  90.834% * 97.6038% (0.95  10.0 10.00   2.33  33.29) =  99.990%  kept
          HA    ALA   88 - HB3   SER   82   9.98 +/- 1.82   8.425% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.007%
        T HA    SER   48 - HB3   SER   82  18.05 +/- 3.58   0.135% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - HB3   SER   82  21.52 +/- 2.92   0.070% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  23.28 +/- 3.78   0.052% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  16.06 +/- 5.30   0.186% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  17.64 +/- 4.87   0.129% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  21.06 +/- 4.82   0.065% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  20.35 +/- 3.99   0.072% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  25.77 +/- 2.25   0.031% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 86.0:
    * O T HB    VAL   83 - HA    VAL   83   2.78 +/- 0.19  95.650% * 96.5761% (0.90  10.0 10.00   3.97  85.99) =  99.985%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.71 +/- 2.30   0.695% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  65 - HA    VAL   83  20.49 +/- 2.89   0.316% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HA    VAL   83  20.61 +/- 3.41   0.283% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.003%
        T QB    ALA   57 - HA    VAL   83  19.54 +/- 2.40   0.349% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    VAL   83  15.10 +/- 3.71   1.081% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  23.66 +/- 3.37   0.184% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.02 +/- 1.49   0.565% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.61 +/- 3.59   0.494% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.69 +/- 2.62   0.182% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  27.96 +/- 2.47   0.105% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  29.07 +/- 2.72   0.096% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.18, residual support = 86.0:
    * O T QG1   VAL   83 - HA    VAL   83   2.24 +/- 0.32  87.343% * 99.1575% (0.87  10.0 10.00   4.19  85.99) =  99.958%  kept
          QD2   LEU   80 - HA    VAL   83   5.91 +/- 1.26   6.469% *  0.5223% (0.80   1.0  1.00   0.11   0.12) =   0.039%
          QG2   ILE   89 - HA    VAL   83   6.91 +/- 0.45   3.753% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   83  15.15 +/- 3.58   0.709% *  0.1103% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    VAL   83  10.90 +/- 2.47   1.159% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    VAL   83  16.61 +/- 1.44   0.256% *  0.0874% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.20 +/- 2.75   0.312% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 85.9:
    * O T QG2   VAL   83 - HA    VAL   83   2.83 +/- 0.34  87.027% * 98.5340% (1.00  10.0 10.00   4.40  85.99) =  99.862%  kept
          QD1   ILE   89 - HA    VAL   83   6.59 +/- 0.72   8.259% *  1.3945% (0.90   1.0  1.00   0.32   0.02) =   0.134%  kept
          QD2   LEU   31 - HA    VAL   83  10.04 +/- 3.70   4.714% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 86.0:
    * O T HA    VAL   83 - HB    VAL   83   2.78 +/- 0.19  98.299% * 97.8171% (0.90  10.0 10.00   3.97  85.99) =  99.992%  kept
        T HA    GLU- 100 - HB    VAL   83  18.09 +/- 3.50   0.482% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.005%
        T HD2   PRO   58 - HB    VAL   83  22.49 +/- 2.07   0.212% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  38 - HB    VAL   83  19.97 +/- 3.51   0.351% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB    VAL   83  18.90 +/- 3.39   0.657% *  0.0439% (0.40   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 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 = 4.27, residual support = 85.8:
    * O T QG1   VAL   83 - HB    VAL   83   2.11 +/- 0.01  69.926% * 99.1575% (0.78  10.0 10.00   4.27  85.99) =  99.809%  kept
          QD2   LEU   80 - HB    VAL   83   4.14 +/- 1.60  25.023% *  0.5223% (0.72   1.0  1.00   0.11   0.12) =   0.188%  kept
          QG2   ILE   89 - HB    VAL   83   6.54 +/- 0.79   2.770% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB    VAL   83  15.12 +/- 3.84   0.542% *  0.1103% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB    VAL   83   9.45 +/- 2.62   1.259% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB    VAL   83  15.72 +/- 1.72   0.205% *  0.0874% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  14.97 +/- 2.72   0.275% *  0.0470% (0.37   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 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 4.46, residual support = 85.9:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  93.187% * 98.5340% (0.90  10.0 10.00   4.47  85.99) =  99.935%  kept
          QD1   ILE   89 - HB    VAL   83   6.39 +/- 0.82   4.167% *  1.3945% (0.80   1.0  1.00   0.32   0.02) =   0.063%
          QD2   LEU   31 - HB    VAL   83   9.32 +/- 3.88   2.646% *  0.0716% (0.65   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 86.0:
    * O T HA    VAL   83 - QG1   VAL   83   2.24 +/- 0.32  97.610% * 99.7372% (0.87  10.0 10.00   4.19  85.99) =  99.998%  kept
          HA    GLU- 100 - QG1   VAL   83  13.82 +/- 2.91   0.763% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG1   VAL   83  16.33 +/- 3.08   0.880% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.90 +/- 1.89   0.241% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  15.40 +/- 2.82   0.507% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.27, residual support = 86.0:
    * O T HB    VAL   83 - QG1   VAL   83   2.11 +/- 0.01  95.735% * 99.3915% (0.78  10.0 10.00   4.27  85.99) =  99.997%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.45 +/- 2.07   0.845% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QG1   VAL   83  12.08 +/- 3.24   1.033% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  15.44 +/- 2.20   0.304% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  15.76 +/- 2.99   0.314% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  18.66 +/- 3.16   0.179% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  15.37 +/- 2.08   0.297% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  13.00 +/- 3.11   0.578% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.97 +/- 1.56   0.400% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  19.68 +/- 2.17   0.139% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  22.09 +/- 2.39   0.094% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  22.99 +/- 2.51   0.084% *  0.0219% (0.17   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 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 = 4.64, residual support = 85.0:
    * O T QG2   VAL   83 - QG1   VAL   83   2.04 +/- 0.05  86.311% * 86.5914% (0.87  10.0 10.00   4.69  85.99) =  98.872%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.53 +/- 1.04   6.258% * 12.2544% (0.78   1.0 10.00   0.32   0.02) =   1.014%  kept
          QD2   LEU   31 - QG1   VAL   83   6.85 +/- 3.25   7.432% *  1.1541% (0.63   1.0  1.00   0.37   0.02) =   0.113%  kept
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 86.0:
    * O T HA    VAL   83 - QG2   VAL   83   2.83 +/- 0.34  96.336% * 99.7372% (1.00  10.0 10.00   4.40  85.99) =  99.998%  kept
          HA    GLU- 100 - QG2   VAL   83  14.70 +/- 2.68   1.081% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - QG2   VAL   83  14.84 +/- 3.04   1.283% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - QG2   VAL   83  17.78 +/- 1.70   0.463% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  16.25 +/- 2.78   0.837% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.47, residual support = 86.0:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  95.604% * 99.3915% (0.90  10.0 10.00   4.47  85.99) =  99.997%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.77 +/- 1.91   1.090% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QG2   VAL   83  15.03 +/- 2.26   0.364% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  12.78 +/- 2.99   0.703% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  16.52 +/- 2.83   0.260% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  17.98 +/- 2.88   0.197% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  14.41 +/- 2.10   0.376% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  12.29 +/- 1.19   0.548% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  13.71 +/- 2.93   0.465% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.13 +/- 2.24   0.191% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.40 +/- 2.30   0.106% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.32 +/- 2.50   0.096% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.862, support = 4.65, residual support = 85.1:
    * O T QG1   VAL   83 - QG2   VAL   83   2.04 +/- 0.05  63.373% * 93.3651% (0.87  10.0 10.00   4.69  85.99) =  99.021%  kept
        T QG2   ILE   89 - QG2   VAL   83   4.59 +/- 0.96   7.868% *  5.8684% (0.25   1.0 10.00   0.44   0.02) =   0.773%  kept
          QD2   LEU   80 - QG2   VAL   83   3.87 +/- 1.30  24.498% *  0.4918% (0.80   1.0  1.00   0.11   0.12) =   0.202%  kept
          QD1   LEU  104 - QG2   VAL   83  11.90 +/- 3.23   1.420% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - QG2   VAL   83   7.57 +/- 1.84   1.841% *  0.0442% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QG2   VAL   83  12.11 +/- 1.59   0.382% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - QG2   VAL   83  11.59 +/- 2.40   0.616% *  0.0442% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.84, residual support = 18.0:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  90.699% * 99.1332% (0.93  10.0 10.00   2.84  17.96) =  99.993%  kept
          HB3   LEU   80 - HA    ALA   84   6.27 +/- 1.22   5.067% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HA    ALA   84  11.71 +/- 1.85   0.693% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    ALA   84  12.51 +/- 1.08   0.469% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ALA   84  14.65 +/- 3.44   0.386% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  13.40 +/- 3.17   0.549% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  15.67 +/- 4.21   0.304% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  18.03 +/- 2.41   0.174% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  14.31 +/- 3.00   0.421% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.99 +/- 2.80   0.169% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  14.71 +/- 2.44   0.343% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.53 +/- 2.56   0.057% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  18.22 +/- 1.79   0.158% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  18.25 +/- 3.34   0.183% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  20.75 +/- 2.86   0.111% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  21.02 +/- 3.97   0.152% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  24.68 +/- 3.18   0.066% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.84, residual support = 18.0:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  98.948% * 99.6067% (0.93  10.0 10.00   2.84  17.96) =  99.999%  kept
          HB2   TRP   49 - QB    ALA   84  14.91 +/- 2.12   0.353% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  14.81 +/- 2.95   0.390% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  18.82 +/- 2.07   0.155% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.88 +/- 1.99   0.155% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.41 +/- 0.12  51.222% * 98.0072% (1.00  10.0 10.00   2.26  18.03) =  99.968%  kept
          HA    ALA   88 - HA    SER   85   2.71 +/- 1.13  47.054% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.026%
        T QB    SER   48 - HA    SER   85  15.91 +/- 3.07   0.289% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   PRO   52 - HA    SER   85  21.34 +/- 2.91   0.095% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER   85  10.78 +/- 1.29   0.732% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA2   GLY   51 - HA    SER   85  23.35 +/- 2.61   0.068% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  21.94 +/- 1.79   0.075% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  24.19 +/- 3.86   0.082% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  28.40 +/- 2.28   0.034% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  30.42 +/- 3.94   0.028% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  17.51 +/- 2.92   0.198% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  21.26 +/- 4.14   0.086% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  27.63 +/- 3.08   0.038% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 0.992, support = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.41 +/- 0.12  69.038% * 91.4183% (1.00  10.0 10.00   2.26  18.03) =  98.766%  kept
          HA    ASP-  86 - QB    SER   85   4.09 +/- 0.28  15.651% *  4.9659% (0.38   1.0  1.00   2.89  13.44) =   1.216%  kept
        T HA    ILE  103 - QB    SER   85  15.74 +/- 2.54   0.313% *  0.8961% (0.98   1.0 10.00   0.02   0.02) =   0.004%
        T HA1   GLY   51 - QB    SER   48   8.90 +/- 0.65   1.470% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   77 - QB    SER   85   9.67 +/- 1.35   1.285% *  0.0914% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HA    SER   85 - QB    SER   48  15.91 +/- 3.07   0.380% *  0.2229% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85  10.42 +/- 0.94   0.968% *  0.0628% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    SER   48   9.68 +/- 2.72   2.680% *  0.0223% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA    THR   39 - QB    SER   85  22.26 +/- 2.07   0.098% *  0.5545% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER   85  21.80 +/- 2.79   0.113% *  0.4450% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER  117  15.72 +/- 2.73   0.317% *  0.1383% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   48  12.25 +/- 4.94   2.717% *  0.0153% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QB    SER   85  13.64 +/- 0.83   0.398% *  0.0906% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE  103 - QB    SER   48  20.82 +/- 2.78   0.137% *  0.2185% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  17.56 +/- 2.13   0.211% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  21.94 +/- 1.79   0.103% *  0.1411% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  11.95 +/- 1.14   0.639% *  0.0221% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  22.89 +/- 2.60   0.098% *  0.1352% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  20.24 +/- 3.08   0.143% *  0.0856% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.16 +/- 1.54   0.514% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  30.56 +/- 6.47   0.053% *  0.0896% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  26.24 +/- 7.23   0.155% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.38 +/- 2.88   0.609% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  18.14 +/- 3.19   0.306% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  22.24 +/- 2.52   0.101% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  19.41 +/- 1.80   0.144% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.32 +/- 1.49   0.619% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  29.88 +/- 5.29   0.051% *  0.0376% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  25.27 +/- 6.30   0.169% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.37 +/- 3.61   0.054% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  22.78 +/- 5.30   0.150% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  23.70 +/- 2.04   0.078% *  0.0097% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  31.14 +/- 3.93   0.038% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  22.24 +/- 1.71   0.097% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.92 +/- 3.28   0.065% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  29.90 +/- 3.28   0.041% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.56, residual support = 42.5:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.02 +/- 0.06  96.858% * 99.6568% (1.00  10.0 10.00   3.56  42.54) =  99.998%  kept
          HB2   ASN   28 - HA    ASP-  86  15.74 +/- 5.62   1.292% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    ASP-  86  20.86 +/- 4.36   0.404% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  20.68 +/- 3.38   0.364% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  23.66 +/- 3.76   0.270% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  15.44 +/- 1.47   0.812% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 42.5:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.62 +/- 0.14  96.265% * 98.9853% (1.00  10.0 10.00   2.31  42.54) =  99.997%  kept
        T HB3   ASP-  62 - HA    ASP-  86  24.71 +/- 2.94   0.138% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HA    ASP-  86  11.47 +/- 2.52   1.504% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    ASP-  86  13.00 +/- 0.89   0.837% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  19.15 +/- 5.21   0.369% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  18.83 +/- 2.27   0.359% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.21 +/- 1.75   0.395% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  24.90 +/- 3.51   0.134% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.995, support = 3.55, residual support = 42.3:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.02 +/- 0.06  80.917% * 94.7260% (1.00  10.0 10.00   3.56  42.54) =  99.207%  kept
          HA    SER   85 - HB2   ASP-  86   5.63 +/- 0.11  12.532% *  4.8664% (0.38   1.0  1.00   2.74  13.44) =   0.789%  kept
          HB    THR   77 - HB2   ASP-  86  11.16 +/- 1.57   2.080% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   ASP-  86  11.78 +/- 1.13   1.570% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  104 - HB2   ASP-  86  15.65 +/- 3.19   0.818% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   ASP-  86  12.75 +/- 3.27   1.691% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   ASP-  86  27.09 +/- 4.35   0.143% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  30.36 +/- 5.92   0.121% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  31.27 +/- 7.16   0.129% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  98.081% * 99.6638% (1.00  10.0 10.00   2.85  42.54) =  99.999%  kept
          HG3   MET   96 - HB2   ASP-  86   9.59 +/- 2.37   0.897% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   ASP-  86  10.76 +/- 1.01   0.461% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  17.51 +/- 5.22   0.153% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  17.03 +/- 2.21   0.138% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  22.17 +/- 2.62   0.057% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  15.45 +/- 1.46   0.163% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  23.29 +/- 3.36   0.048% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 2.31, residual support = 42.4:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.62 +/- 0.14  88.357% * 94.7253% (1.00  10.0 10.00   2.31  42.54) =  99.611%  kept
          HA    SER   85 - HB3   ASP-  86   6.30 +/- 0.33   6.672% *  4.8671% (0.38   1.0  1.00   2.74  13.44) =   0.386%  kept
          HA    LEU  104 - HB3   ASP-  86  15.50 +/- 3.61   0.826% *  0.0688% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   ASP-  86  12.66 +/- 3.62   1.912% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   ASP-  86  12.62 +/- 1.17   0.929% *  0.0425% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  86  12.31 +/- 1.51   1.055% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.47 +/- 4.24   0.094% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  30.73 +/- 5.95   0.075% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  31.61 +/- 7.18   0.080% *  0.0461% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 42.5:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.091% * 99.6568% (1.00  10.0 10.00   2.85  42.54) =  99.999%  kept
          HB2   ASN   28 - HB3   ASP-  86  14.11 +/- 5.77   0.417% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  19.05 +/- 4.34   0.114% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  18.83 +/- 3.61   0.103% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  22.01 +/- 3.52   0.065% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.70 +/- 1.67   0.210% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB2   TRP   87 - HA    TRP   87   2.26 +/- 0.04  99.783% * 99.9010% (1.00  10.0 10.00   4.31  70.65) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  18.83 +/- 2.84   0.217% *  0.0990% (0.99   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 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HB3   TRP   87 - HA    TRP   87   2.94 +/- 0.06  99.250% * 99.8563% (1.00  10.0 10.00   4.31  70.65) = 100.000%  kept
          HG3   GLN  116 - HA    TRP   87  22.50 +/- 2.12   0.244% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    TRP   87  19.65 +/- 4.71   0.507% *  0.0448% (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 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB2   TRP   87   2.26 +/- 0.04  98.635% * 99.8808% (1.00  10.0 10.00   4.31  70.65) =  99.999%  kept
          HA    LEU  104 - HB2   TRP   87  13.01 +/- 3.76   1.020% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  18.89 +/- 3.72   0.281% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  27.83 +/- 4.04   0.065% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00  99.834% * 99.8563% (1.00  10.0 10.00   4.00  70.65) = 100.000%  kept
          HG3   GLN  116 - HB2   TRP   87  20.57 +/- 1.89   0.067% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   TRP   87  19.76 +/- 4.25   0.098% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.6:
    * O T HA    TRP   87 - HB3   TRP   87   2.94 +/- 0.06  97.809% * 99.3033% (1.00  10.0 10.00   4.31  70.65) =  99.996%  kept
        T HA    PHE   59 - HB3   TRP   87  18.52 +/- 3.47   0.576% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  104 - HB3   TRP   87  14.05 +/- 3.16   1.470% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB3   TRP   87  27.52 +/- 3.95   0.146% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.6:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00  99.829% * 99.9010% (1.00  10.0 10.00   4.00  70.65) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.33 +/- 2.82   0.171% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.3, residual support = 11.9:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  91.428% * 99.6403% (1.00  10.0 10.00   2.30  11.95) =  99.995%  kept
          QG2   THR   77 - HA    ALA   88   9.16 +/- 1.94   3.782% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   80 - HA    ALA   88  10.61 +/- 1.87   4.226% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ALA   88  19.44 +/- 2.73   0.148% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  18.18 +/- 3.62   0.174% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  22.23 +/- 1.72   0.089% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.00 +/- 1.73   0.047% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  21.32 +/- 2.64   0.106% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 2.29, residual support = 11.9:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  85.397% * 97.3461% (1.00  10.0 10.00   2.30  11.95) =  99.939%  kept
        T HB2   SER   82 - QB    ALA   88   9.87 +/- 1.65   7.089% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.047%
        T HA    SER   48 - QB    ALA   88  14.97 +/- 3.44   0.852% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   PRO   52 - QB    ALA   88  17.41 +/- 2.70   0.244% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          QB    SER   85 - QB    ALA   88   5.32 +/- 0.34   5.714% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QB    ALA   88  18.51 +/- 2.83   0.148% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  18.74 +/- 3.27   0.146% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  20.48 +/- 3.61   0.115% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  20.45 +/- 3.79   0.152% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  21.35 +/- 1.87   0.089% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  25.69 +/- 3.17   0.053% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.9:
    * O T HB    ILE   89 - HA    ILE   89   2.95 +/- 0.07  92.428% * 99.6008% (0.80  10.0 10.00   5.44 215.96) =  99.989%  kept
        T HB    VAL   43 - HA    ILE   89   9.51 +/- 1.25   3.374% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.010%
          QD    LYS+  81 - HA    ILE   89  10.36 +/- 1.25   2.594% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    ILE   89  15.27 +/- 2.47   0.892% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  18.98 +/- 1.21   0.367% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  19.35 +/- 1.21   0.346% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.42, residual support = 216.0:
    * O T QG2   ILE   89 - HA    ILE   89   2.57 +/- 0.28  95.753% * 99.9320% (1.00  10.0 10.00   6.42 215.96) =  99.998%  kept
          QG1   VAL   83 - HA    ILE   89   8.38 +/- 0.99   3.183% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    ILE   89  15.30 +/- 2.48   1.064% *  0.0154% (0.15   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 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 215.9:
    * O T HG12  ILE   89 - HA    ILE   89   2.66 +/- 0.54  95.732% * 99.3078% (1.00  10.0 10.00   5.74 215.96) =  99.997%  kept
        T HG3   LYS+  99 - HA    ILE   89  20.83 +/- 1.56   0.278% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HA    ILE   89  15.10 +/- 2.47   1.107% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HA    ILE   89  14.11 +/- 2.24   1.277% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  15.44 +/- 1.86   0.738% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  21.27 +/- 3.07   0.284% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  20.53 +/- 2.96   0.329% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  22.46 +/- 3.05   0.256% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.9:
    * O T HA    ILE   89 - HB    ILE   89   2.95 +/- 0.07  85.920% * 99.2091% (0.80  10.0 10.00   5.44 215.96) =  99.987%  kept
        T HA    ILE   89 - HB    VAL   43   9.51 +/- 1.25   3.136% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.008%
          HB3   SER   82 - HB    ILE   89   9.80 +/- 1.02   2.877% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - HB    ILE   89  16.91 +/- 2.15   0.515% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  20.62 +/- 1.83   0.281% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  12.23 +/- 1.51   1.621% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.44 +/- 0.90   0.947% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  13.45 +/- 2.52   1.137% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  23.90 +/- 2.47   0.184% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.08 +/- 4.18   0.174% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  17.04 +/- 1.52   0.492% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.60 +/- 3.83   0.449% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  18.33 +/- 2.55   0.429% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  19.49 +/- 3.13   0.358% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  13.81 +/- 3.20   1.141% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  19.41 +/- 1.89   0.338% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.89, residual support = 215.9:
    * O T QG2   ILE   89 - HB    ILE   89   2.12 +/- 0.01  79.627% * 99.5317% (0.80  10.0 10.00   5.89 215.96) =  99.983%  kept
        T QG2   ILE   89 - HB    VAL   43   6.52 +/- 0.85   3.174% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.009%
        T QD1   LEU  104 - HB    VAL   43  10.20 +/- 2.79   7.662% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB    ILE   89   6.42 +/- 0.92   4.026% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU  104 - HB    ILE   89  14.77 +/- 2.73   0.643% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB    VAL   43   6.35 +/- 1.63   4.867% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 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 = 5.17, residual support = 215.9:
    * O T HG12  ILE   89 - HB    ILE   89   2.63 +/- 0.23  82.329% * 98.9436% (0.80  10.0 10.00   5.17 215.96) =  99.983%  kept
        T HG12  ILE   89 - HB    VAL   43   7.75 +/- 1.65   4.828% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.013%
        T HG3   LYS+  99 - HB    ILE   89  19.85 +/- 1.87   0.228% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    VAL   43  13.68 +/- 1.51   0.681% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB    ILE   89  16.49 +/- 2.50   0.472% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB    VAL   43   9.80 +/- 2.58   3.426% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  13.77 +/- 1.79   0.696% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  14.55 +/- 2.68   0.696% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  11.83 +/- 2.44   2.563% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  19.77 +/- 3.22   0.324% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  12.67 +/- 2.36   1.322% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  18.90 +/- 3.16   0.358% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.53 +/- 1.81   0.322% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  20.60 +/- 3.23   0.212% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  14.05 +/- 2.28   0.764% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  14.30 +/- 3.55   0.778% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.42, residual support = 215.9:
    * O T HA    ILE   89 - QG2   ILE   89   2.57 +/- 0.28  94.089% * 99.5272% (1.00  10.0 10.00   6.42 215.96) =  99.996%  kept
          HB3   SER   82 - QG2   ILE   89   9.01 +/- 1.18   2.823% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR  118 - QG2   ILE   89  13.22 +/- 1.54   0.813% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - QG2   ILE   89  17.28 +/- 1.52   0.391% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  20.14 +/- 1.94   0.242% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.33 +/- 3.45   0.222% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  13.69 +/- 2.13   0.981% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  16.44 +/- 2.54   0.440% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.89, residual support = 215.9:
    * O T HB    ILE   89 - QG2   ILE   89   2.12 +/- 0.01  92.644% * 99.0138% (0.80  10.0 10.00   5.89 215.96) =  99.986%  kept
        T HB    VAL   43 - QG2   ILE   89   6.52 +/- 0.85   3.687% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.011%
        T HB3   LYS+  99 - QG2   ILE   89  15.47 +/- 0.85   0.247% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   ILE   89   7.73 +/- 1.21   2.445% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - QG2   ILE   89  15.85 +/- 0.73   0.226% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  11.62 +/- 1.86   0.751% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.22, residual support = 215.9:
    * O T HG12  ILE   89 - QG2   ILE   89   3.03 +/- 0.26  88.549% * 99.3078% (1.00  10.0 10.00   6.22 215.96) =  99.991%  kept
        T HG3   LYS+  99 - QG2   ILE   89  16.98 +/- 1.13   0.579% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 111 - QG2   ILE   89  12.56 +/- 2.12   2.154% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QG2   ILE   89  10.52 +/- 1.49   2.605% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QG2   ILE   89  10.77 +/- 1.98   2.652% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QG2   ILE   89  16.13 +/- 2.75   1.238% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QG2   ILE   89  15.48 +/- 2.71   1.521% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QG2   ILE   89  16.71 +/- 2.75   0.702% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 215.9:
    * O T HA    ILE   89 - HG12  ILE   89   2.66 +/- 0.54  84.639% * 98.5945% (1.00  10.0 10.00   5.74 215.96) =  99.977%  kept
        T HB    THR   39 - HG3   LYS+  99  10.26 +/- 2.30   3.207% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.015%
          HB3   SER   82 - HG12  ILE   89  11.44 +/- 1.91   5.009% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HB3   SER   37 - HG3   LYS+  99  12.66 +/- 2.92   2.886% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ILE   89 - HG3   LYS+  99  20.83 +/- 1.56   0.245% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR  118 - HG12  ILE   89  15.70 +/- 2.53   0.553% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HG12  ILE   89  20.52 +/- 1.59   0.258% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  17.30 +/- 3.52   0.534% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  23.93 +/- 2.26   0.166% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.45 +/- 4.13   0.168% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  18.22 +/- 2.35   0.487% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  21.27 +/- 3.52   0.244% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  22.11 +/- 3.86   0.288% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  20.04 +/- 3.10   0.366% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  16.00 +/- 2.42   0.853% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.06 +/- 3.13   0.099% *  0.0079% (0.08   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 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.66, support = 5.25, residual support = 207.2:
    * O T HB    ILE   89 - HG12  ILE   89   2.63 +/- 0.23  33.033% * 78.0851% (0.80  10.0 10.00   5.17 215.96) =  79.101%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.63 +/- 0.25  33.608% * 14.8429% (0.15  10.0  1.00   5.22 174.38) =  15.298%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.77 +/- 0.30  29.854% *  6.1021% (0.06  10.0 10.00   6.42 174.38) =   5.587%  kept
        T HB    VAL   43 - HG12  ILE   89   7.75 +/- 1.65   1.716% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.011%
        T HB    ILE   89 - HG3   LYS+  99  19.85 +/- 1.87   0.089% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   43 - HG3   LYS+  99  13.68 +/- 1.51   0.262% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.001%
        T QG1   ILE   56 - HG3   LYS+  99  19.02 +/- 3.49   0.202% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+  99 - HG12  ILE   89  17.52 +/- 1.61   0.116% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG12  ILE   89  10.88 +/- 1.52   0.637% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.69 +/- 2.74   0.298% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.12 +/- 1.53   0.126% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  24.08 +/- 3.20   0.058% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.997, support = 6.2, residual support = 215.4:
    * O T QG2   ILE   89 - HG12  ILE   89   3.03 +/- 0.26  59.716% * 98.9394% (1.00  10.0 10.00   6.22 215.96) =  99.701%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.56 +/- 1.64  30.058% *  0.5710% (0.06   1.0  1.00   1.84  17.61) =   0.290%  kept
          QG1   VAL   83 - HG12  ILE   89   7.15 +/- 1.28   5.975% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   ILE   89 - HG3   LYS+  99  16.98 +/- 1.13   0.393% *  0.4013% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HG12  ILE   89  13.85 +/- 2.73   2.717% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HG3   LYS+  99  14.65 +/- 2.83   1.141% *  0.0211% (0.21   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 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.2:
    * O T HB2   GLN   90 - HA    GLN   90   2.65 +/- 0.21  96.773% * 98.5005% (0.78  10.0 10.00   3.96  89.25) =  99.967%  kept
        T HB3   GLU-  79 - HA    GLN   90  13.18 +/- 2.69   2.674% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.033%
          HB3   GLU-  29 - HA    GLN   90  24.05 +/- 3.87   0.166% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  25.92 +/- 2.00   0.119% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  23.43 +/- 4.00   0.184% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.43 +/- 2.34   0.084% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.2:
    * O T HB3   GLN   90 - HA    GLN   90   2.81 +/- 0.25  84.707% * 99.0333% (0.82  10.0 10.00   3.96  89.25) =  99.984%  kept
          QB    LYS+  81 - HA    GLN   90   8.24 +/- 1.72   7.475% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.009%
          HB2   MET   92 - HA    GLN   90   7.85 +/- 0.42   4.260% *  0.0577% (0.48   1.0  1.00   0.02   0.12) =   0.003%
          QB    LYS+ 106 - HA    GLN   90  12.84 +/- 1.60   1.048% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  19.31 +/- 3.48   0.389% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    GLN   90  18.49 +/- 1.85   0.386% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  20.23 +/- 3.92   0.408% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  17.49 +/- 1.79   0.413% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  20.35 +/- 3.47   0.301% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  23.14 +/- 2.25   0.187% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.62 +/- 2.27   0.095% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  25.71 +/- 2.14   0.134% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  22.99 +/- 2.77   0.197% *  0.0366% (0.30   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.29, residual support = 89.2:
    * O T QG    GLN   90 - HA    GLN   90   2.52 +/- 0.51  95.551% * 99.3855% (0.88  10.0 10.00   3.29  89.25) =  99.998%  kept
          HB2   ASP-  44 - HA    GLN   90  13.90 +/- 1.89   0.669% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    GLN   90   9.02 +/- 0.48   2.763% *  0.0171% (0.15   1.0  1.00   0.02   0.12) =   0.000%
          HB3   PHE   72 - HA    GLN   90  19.38 +/- 1.91   0.249% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  20.49 +/- 2.23   0.277% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  26.18 +/- 3.62   0.113% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  26.74 +/- 4.59   0.100% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  30.63 +/- 6.72   0.097% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  23.16 +/- 3.81   0.181% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.2:
    * O T HA    GLN   90 - HB2   GLN   90   2.65 +/- 0.21  92.403% * 98.8405% (0.78  10.0 10.00   3.96  89.25) =  99.977%  kept
        T HA    GLN   90 - HB3   GLU-  79  13.18 +/- 2.69   2.554% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.020%
          HA    ALA  110 - HB2   GLN   90  14.64 +/- 3.95   1.802% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   42 - HB3   GLU-  79  14.29 +/- 2.59   1.140% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.39 +/- 4.48   0.351% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  21.88 +/- 3.44   0.223% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  17.96 +/- 1.28   0.359% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  22.59 +/- 3.25   0.197% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.54 +/- 2.05   0.745% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.94 +/- 2.01   0.226% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.2:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  93.479% * 96.7995% (0.67  10.0 10.00   3.98  89.25) =  99.993%  kept
        T HB3   GLN   90 - HB3   GLU-  79  15.46 +/- 2.52   0.248% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  81 - HB3   GLU-  79   6.62 +/- 0.82   1.955% *  0.0752% (0.52   1.0  1.00   0.02   1.39) =   0.002%
          QB    LYS+  81 - HB2   GLN   90   9.74 +/- 1.94   0.861% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HB2   GLN   90   8.48 +/- 0.58   0.863% *  0.0564% (0.39   1.0  1.00   0.02   0.12) =   0.001%
          QB    LYS+ 106 - HB2   GLN   90  13.37 +/- 2.00   0.263% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  30.23 +/- 2.14   0.020% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  23.29 +/- 5.54   0.252% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  13.38 +/- 4.25   0.289% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  19.43 +/- 3.74   0.259% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  16.37 +/- 3.40   0.179% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  20.64 +/- 4.86   0.196% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.29 +/- 2.19   0.128% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  20.35 +/- 3.41   0.082% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  15.27 +/- 3.24   0.207% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  19.35 +/- 2.04   0.084% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  21.22 +/- 3.91   0.088% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  20.98 +/- 3.78   0.074% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  18.45 +/- 1.76   0.087% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  20.87 +/- 3.27   0.085% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  22.29 +/- 2.95   0.052% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  21.02 +/- 3.44   0.086% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  24.80 +/- 1.91   0.035% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  27.33 +/- 2.11   0.026% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  22.24 +/- 3.51   0.061% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  24.25 +/- 2.83   0.040% *  0.0358% (0.25   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 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.2:
    * O T QG    GLN   90 - HB2   GLN   90   2.39 +/- 0.14  91.923% * 96.7466% (0.72  10.0 10.00   3.61  89.25) =  99.980%  kept
        T QG    GLN   90 - HB3   GLU-  79  12.96 +/- 2.61   1.551% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.012%
        T QB    MET   11 - HB3   GLU-  79  22.36 +/- 6.80   0.537% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   GLU-  29 - HB3   GLU-  79  15.54 +/- 4.67   0.488% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB3   GLU-  79  12.26 +/- 1.43   0.794% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    MET   11 - HB2   GLN   90  32.48 +/- 6.48   0.077% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   GLN   90  15.67 +/- 1.78   0.389% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  14.99 +/- 2.30   0.544% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  18.99 +/- 4.65   0.408% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.37 +/- 5.04   0.404% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.83 +/- 0.69   1.450% *  0.0166% (0.12   1.0  1.00   0.02   0.12) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  25.06 +/- 3.43   0.093% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.24 +/- 1.65   0.148% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  14.82 +/- 4.15   0.772% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  21.47 +/- 2.38   0.148% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.57 +/- 4.23   0.071% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.91 +/- 3.28   0.067% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  22.00 +/- 2.86   0.136% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.2:
    * O T HA    GLN   90 - HB3   GLN   90   2.81 +/- 0.25  97.181% * 99.7400% (0.82  10.0 10.00   3.96  89.25) =  99.998%  kept
          HA    ALA  110 - HB3   GLN   90  14.38 +/- 3.69   1.263% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB3   GLN   90  21.85 +/- 3.67   0.341% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  17.60 +/- 1.08   0.448% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  15.00 +/- 1.94   0.768% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.98, residual support = 89.2:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.614% * 98.2851% (0.67  10.0 10.00   3.98  89.25) =  99.997%  kept
        T HB3   GLU-  79 - HB3   GLN   90  15.46 +/- 2.52   0.264% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  38 - HB3   GLN   90  30.72 +/- 2.00   0.020% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  25.85 +/- 3.69   0.036% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  27.28 +/- 1.76   0.028% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  25.25 +/- 3.86   0.039% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.61, residual support = 89.2:
    * O T QG    GLN   90 - HB3   GLN   90   2.38 +/- 0.15  97.426% * 99.3855% (0.75  10.0 10.00   3.61  89.25) =  99.999%  kept
          HB2   ASP-  44 - HB3   GLN   90  15.50 +/- 1.81   0.433% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLN   90  10.00 +/- 0.95   1.497% *  0.0171% (0.13   1.0  1.00   0.02   0.12) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  20.99 +/- 1.65   0.156% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  21.20 +/- 2.53   0.169% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.76 +/- 3.43   0.078% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  28.50 +/- 4.28   0.072% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  32.44 +/- 6.49   0.068% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  24.99 +/- 3.67   0.101% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.29, residual support = 89.2:
    * O T HA    GLN   90 - QG    GLN   90   2.52 +/- 0.51  93.949% * 99.7400% (0.88  10.0 10.00   3.29  89.25) =  99.996%  kept
          HA    ALA  110 - QG    GLN   90  13.44 +/- 3.93   3.340% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   55 - QG    GLN   90  19.55 +/- 3.40   0.382% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  15.18 +/- 0.93   0.564% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  13.48 +/- 2.37   1.765% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.61, residual support = 89.2:
    * O T HB2   GLN   90 - QG    GLN   90   2.39 +/- 0.14  97.844% * 97.8434% (0.72  10.0 10.00   3.61  89.25) =  99.978%  kept
        T HB3   GLU-  79 - QG    GLN   90  12.96 +/- 2.61   1.651% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.020%
        T HG3   GLU-  29 - QG    GLN   90  21.58 +/- 3.76   0.168% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU-  29 - QG    GLN   90  22.09 +/- 3.59   0.151% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  23.54 +/- 1.85   0.110% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.67 +/- 2.03   0.076% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.748, support = 3.59, residual support = 88.8:
    * O T HB3   GLN   90 - QG    GLN   90   2.38 +/- 0.15  87.282% * 87.0862% (0.75  10.0 10.00   3.61  89.25) =  99.552%  kept
        T HB2   MET   92 - QG    GLN   90   8.33 +/- 1.07   2.753% * 12.1145% (0.44   1.0 10.00   0.48   0.12) =   0.437%  kept
          QB    LYS+  81 - QG    GLN   90   7.99 +/- 2.22   6.845% *  0.0935% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          QB    LYS+ 106 - QG    GLN   90  11.33 +/- 2.28   1.178% *  0.0962% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QG    GLN   90  18.04 +/- 3.44   0.279% *  0.0986% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  16.53 +/- 1.99   0.342% *  0.0674% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  15.50 +/- 1.94   0.355% *  0.0590% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  18.96 +/- 3.86   0.289% *  0.0632% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  18.88 +/- 3.07   0.219% *  0.0674% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  21.16 +/- 2.03   0.145% *  0.0797% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.93 +/- 1.95   0.079% *  0.0871% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  23.75 +/- 1.88   0.095% *  0.0549% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  21.23 +/- 2.88   0.139% *  0.0322% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.9:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.02  98.381% * 98.3255% (1.00  10.0 10.00   2.26  12.87) =  99.998%  kept
        T QG2   THR   39 - HA    ALA   91  21.86 +/- 1.60   0.096% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HA    ALA   91  13.90 +/- 3.19   0.641% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  18.68 +/- 3.26   0.196% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  16.07 +/- 2.44   0.305% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.50 +/- 1.55   0.119% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.41 +/- 2.98   0.074% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.09 +/- 3.58   0.096% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.50 +/- 1.22   0.059% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  31.03 +/- 1.78   0.033% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.9:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.02  84.590% * 99.0540% (1.00  10.0 10.00   2.26  12.87) =  99.995%  kept
          HA    ALA  110 - QB    ALA   91   8.70 +/- 3.60   7.270% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL  107 - QB    ALA   91  10.58 +/- 1.96   0.916% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QB    ALA   91  13.06 +/- 3.42   1.600% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG2   THR   39   9.82 +/- 1.55   1.127% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA   91 - QG2   THR   39  21.86 +/- 1.60   0.083% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.56 +/- 0.83   3.420% *  0.0096% (0.10   1.0  1.00   0.02   1.28) =   0.000%
        T HA    ALA   91 - QG2   THR   23  18.68 +/- 3.26   0.169% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  17.97 +/- 2.24   0.161% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  17.21 +/- 1.74   0.181% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  22.06 +/- 2.87   0.092% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.72 +/- 0.97   0.082% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  22.01 +/- 2.37   0.087% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.87 +/- 4.05   0.143% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  23.63 +/- 3.30   0.082% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.95 +/- 0.07 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.41) = 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 = 132.4:
    * O T HB2   PRO   93 - HD2   PRO   93   3.93 +/- 0.14  74.636% * 99.2584% (0.73  10.0 10.00   5.40 132.41) =  99.980%  kept
          HB2   ARG+  54 - HD2   PRO   93  12.99 +/- 3.43   6.282% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.007%
          HB    VAL  108 - HD2   PRO   93  11.37 +/- 2.18   4.477% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.005%
          HG3   PRO   52 - HD2   PRO   93  11.61 +/- 4.26   9.030% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   GLN   30 - HD2   PRO   93  23.04 +/- 2.31   0.411% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HD2   PRO   93  16.29 +/- 2.70   1.854% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD2   PRO   93  16.03 +/- 3.62   2.057% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD2   PRO   93  22.15 +/- 2.40   0.466% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  33.56 +/- 6.54   0.312% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.61 +/- 1.07   0.247% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  29.19 +/- 4.19   0.228% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.42 +/- 0.24  94.623% * 99.4388% (0.73  10.0 10.00   4.00 132.41) =  99.997%  kept
          QB    LYS+  65 - HD2   PRO   93  15.82 +/- 4.24   1.201% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HD2   PRO   93  11.41 +/- 4.30   2.281% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  16.85 +/- 3.15   0.488% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.92 +/- 3.64   0.306% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.46 +/- 1.39   0.228% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.70 +/- 1.31   0.285% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.86 +/- 0.96   0.162% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.99 +/- 3.56   0.294% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  24.26 +/- 4.03   0.133% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  89.382% * 98.6805% (0.65  10.0 10.00   4.00 132.41) =  99.988%  kept
          QB    PHE   55 - HD2   PRO   93  11.26 +/- 4.57   6.279% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.006%
          HB3   CYS   53 - HD2   PRO   93  10.30 +/- 3.09   3.530% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   68 - HD2   PRO   93  20.53 +/- 2.81   0.067% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HD2   PRO   93  14.48 +/- 3.79   0.402% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD2   PRO   93  13.30 +/- 3.02   0.341% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.82 +/- 0.07  98.701% * 99.8223% (0.90  10.0 10.00   5.31 132.41) =  99.998%  kept
        T HA    PRO   93 - HD3   PRO   68  17.65 +/- 2.61   1.299% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.13 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 = 0.896, support = 5.39, residual support = 132.2:
    * O T HB2   PRO   93 - HD3   PRO   93   3.89 +/- 0.27  48.466% * 97.2654% (0.90  10.0 10.00   5.40 132.41) =  99.857%  kept
        T HB2   ARG+  54 - HD3   PRO   93  12.21 +/- 3.33   5.131% *  0.8437% (0.78   1.0 10.00   0.02   0.02) =   0.092%
        T HB2   ARG+  54 - HD3   PRO   68  18.61 +/- 6.25   6.326% *  0.1502% (0.14   1.0 10.00   0.02   0.02) =   0.020%
          HG3   PRO   52 - HD3   PRO   93  10.67 +/- 4.48  13.107% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.008%
          HB    VAL  108 - HD3   PRO   93  12.37 +/- 1.84   2.003% *  0.0779% (0.72   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HD3   PRO   93  16.38 +/- 2.87   2.186% *  0.0551% (0.51   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   GLU-  14 - HD3   PRO   68  16.31 +/- 3.02   1.759% *  0.0650% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   PRO   93 - HD3   PRO   68  17.86 +/- 2.58   0.619% *  0.1731% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HD3   PRO   68  21.46 +/- 5.70   1.479% *  0.0712% (0.07   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   68  15.88 +/- 3.35   2.098% *  0.0481% (0.04   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HD3   PRO   93  22.90 +/- 2.19   0.263% *  0.2704% (0.25   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HD3   PRO   93  33.18 +/- 6.33   0.154% *  0.3999% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HD3   PRO   68  13.23 +/- 4.67   5.599% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HD3   PRO   93  28.93 +/- 4.18   0.144% *  0.3650% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   PRO   68  15.40 +/- 3.07   4.904% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  15.67 +/- 3.55   1.266% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HD3   PRO   68  20.14 +/- 3.65   1.582% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  22.08 +/- 2.35   0.286% *  0.0551% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  14.80 +/- 2.69   1.300% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.21 +/- 1.15   0.145% *  0.0473% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  18.25 +/- 2.62   0.603% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  21.98 +/- 4.17   0.580% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.893, support = 3.99, residual support = 131.7:
    * O T HG2   PRO   93 - HD3   PRO   93   2.79 +/- 0.24  56.341% * 97.7255% (0.90  10.0 10.00   4.00 132.41) =  99.436%  kept
          QB    LYS+  66 - HD3   PRO   68   4.39 +/- 1.32  25.658% *  1.1467% (0.14   1.0  1.00   1.47   0.02) =   0.531%  kept
        T HB3   PRO   52 - HD3   PRO   93  10.60 +/- 4.46   5.005% *  0.3016% (0.28   1.0 10.00   0.02   0.02) =   0.027%
          QB    LYS+  65 - HD3   PRO   93  15.52 +/- 4.12   0.714% *  0.0816% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   7.37 +/- 1.05   3.816% *  0.0145% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - HD3   PRO   68  19.46 +/- 2.97   0.208% *  0.1739% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HD3   PRO   93  16.79 +/- 3.07   0.368% *  0.0876% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HD3   PRO   93  21.05 +/- 3.88   0.591% *  0.0302% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.52 +/- 1.24   1.222% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.11 +/- 3.56   0.201% *  0.0783% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  20.99 +/- 4.02   0.280% *  0.0537% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  13.87 +/- 5.85   2.446% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.76 +/- 1.39   0.171% *  0.0710% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.49 +/- 1.11   0.133% *  0.0902% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.37 +/- 1.51   0.210% *  0.0553% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  12.98 +/- 1.95   0.744% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.68 +/- 2.72   0.340% *  0.0161% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.56 +/- 2.57   1.079% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  16.66 +/- 2.79   0.355% *  0.0098% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  23.96 +/- 4.07   0.119% *  0.0272% (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 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  98.524% * 99.5607% (0.65  10.0 10.00   4.00 132.41) =  99.998%  kept
          HA    THR   77 - HD3   PRO   93  10.74 +/- 3.25   1.046% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   93 - HD3   PRO   68  20.53 +/- 2.81   0.073% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  18.92 +/- 2.73   0.093% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  17.61 +/- 3.10   0.178% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  19.04 +/- 2.01   0.086% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.56 +/- 0.21  90.937% * 99.2584% (1.00  10.0 10.00   5.98 132.41) =  99.994%  kept
          HB    VAL  108 - HA    PRO   93  11.10 +/- 1.78   1.836% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   52 - HA    PRO   93  11.53 +/- 3.49   3.693% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    PRO   93  12.37 +/- 1.77   0.944% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    PRO   93  14.77 +/- 2.33   1.114% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HA    PRO   93  19.84 +/- 2.20   0.213% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HA    PRO   93  14.54 +/- 2.60   0.646% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  18.93 +/- 2.41   0.243% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  30.49 +/- 6.37   0.151% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  23.85 +/- 1.17   0.116% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  25.99 +/- 3.95   0.107% *  0.0373% (0.38   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 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HG2   PRO   93 - HA    PRO   93   3.97 +/- 0.02  75.587% * 99.4388% (1.00  10.0 10.00   5.31 132.41) =  99.980%  kept
          QB    LYS+  65 - HA    PRO   93  13.33 +/- 4.15   8.057% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.009%
          HB3   PRO   52 - HA    PRO   93  11.33 +/- 3.14   7.098% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    PRO   93  14.51 +/- 2.94   2.314% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HA    PRO   93  17.74 +/- 3.51   1.601% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    PRO   93  16.34 +/- 1.52   1.218% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    PRO   93  15.35 +/- 1.50   1.422% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HA    PRO   93  18.82 +/- 1.17   0.747% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - HA    PRO   93  19.42 +/- 3.06   1.352% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - HA    PRO   93  21.16 +/- 3.74   0.605% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.95 +/- 0.07  82.563% * 99.7770% (0.73  10.0 10.00   5.31 132.41) =  99.974%  kept
          HA    THR   77 - HA    PRO   93   9.05 +/- 2.67  15.897% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.024%
          HB2   TRP   27 - HA    PRO   93  16.20 +/- 2.74   1.540% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.72 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 132.4:
    * O T HD3   PRO   93 - HA    PRO   93   3.82 +/- 0.07  76.670% * 98.6805% (0.90  10.0 10.00   5.31 132.41) =  99.960%  kept
        T HD3   PRO   68 - HA    PRO   93  17.65 +/- 2.61   1.013% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.013%
          HB3   CYS   53 - HA    PRO   93   9.04 +/- 1.85   8.298% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.012%
          QB    PHE   55 - HA    PRO   93  10.88 +/- 3.11   7.955% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.009%
          HB2   PHE   59 - HA    PRO   93  11.43 +/- 2.45   4.145% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HA    PRO   93  13.98 +/- 2.22   1.918% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.91 A violated in 0 structures by 0.01 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 = 132.4:
    * O T HG2   PRO   93 - HB2   PRO   93   2.53 +/- 0.31  78.862% * 99.0260% (1.00  10.0 10.00   5.40 132.41) =  99.985%  kept
        T HB3   PRO   52 - HB2   PRO   93  10.68 +/- 3.33   2.561% *  0.3056% (0.31   1.0 10.00   0.02   0.02) =   0.010%
          QB    LYS+  65 - HB2   PRO   93  13.41 +/- 3.81   1.328% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   PRO   93  14.45 +/- 2.92   0.809% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HG3   GLN   30   9.92 +/- 3.12   6.388% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.49 +/- 3.92   0.403% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  11.93 +/- 1.86   1.426% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.51 +/- 1.96   0.376% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   GLN   30  10.62 +/- 2.84   3.611% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.31 +/- 1.44   0.351% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.59 +/- 0.95   0.196% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.95 +/- 2.52   0.166% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  18.46 +/- 2.93   0.323% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  21.58 +/- 4.07   0.243% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  13.85 +/- 2.26   0.742% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  15.48 +/- 2.29   0.589% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.73 +/- 3.56   0.487% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.55 +/- 3.14   0.415% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.92 +/- 5.90   0.636% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  25.79 +/- 2.87   0.089% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HD2   PRO   93 - HB2   PRO   93   3.93 +/- 0.14  70.282% * 99.6822% (0.73  10.0 10.00   5.40 132.41) =  99.983%  kept
          HA    THR   77 - HB2   PRO   93  11.02 +/- 2.72   7.076% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.012%
          HB2   TRP   27 - HG3   GLN   30   6.33 +/- 0.81  19.642% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  17.65 +/- 3.16   1.147% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.002%
        T HD2   PRO   93 - HG3   GLN   30  23.04 +/- 2.31   0.387% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  15.83 +/- 3.11   1.466% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.3:
    * O T HD3   PRO   93 - HB2   PRO   93   3.89 +/- 0.27  67.792% * 97.4649% (0.90  10.0 10.00   5.40 132.41) =  99.916%  kept
        T HD2   ARG+  54 - HB2   PRO   93  13.40 +/- 2.49   2.136% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.035%
          QB    PHE   55 - HB2   PRO   93  10.06 +/- 3.47  10.842% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.014%
          HB3   CYS   53 - HB2   PRO   93   8.79 +/- 1.96   8.108% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.013%
        T HD3   PRO   68 - HB2   PRO   93  17.86 +/- 2.58   0.877% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.012%
          HB2   PHE   59 - HB2   PRO   93  10.64 +/- 2.47   4.800% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   68 - HG3   GLN   30  15.88 +/- 3.35   3.019% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   ARG+  54 - HG3   GLN   30  24.89 +/- 3.96   0.417% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   93 - HG3   GLN   30  22.90 +/- 2.19   0.371% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  22.06 +/- 2.62   0.479% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.10 +/- 2.54   0.495% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.54 +/- 2.69   0.662% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.97 +/- 0.02 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.41) = 100.000%  kept
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HG2   PRO   93   2.53 +/- 0.31  89.623% * 98.7141% (1.00  10.0 10.00   5.40 132.41) =  99.978%  kept
        T HG3   PRO   52 - HG2   PRO   93  11.16 +/- 4.03   2.917% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   PRO   58 - HG2   PRO   93  14.27 +/- 3.72   1.896% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HG2   PRO   93  12.22 +/- 2.92   2.488% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HG2   PRO   93  10.97 +/- 1.84   1.511% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   PRO   93  22.95 +/- 2.52   0.189% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG2   PRO   93  14.46 +/- 2.64   0.884% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG2   PRO   93  22.03 +/- 2.56   0.208% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.30 +/- 1.41   0.102% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  28.62 +/- 4.38   0.114% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  33.09 +/- 6.16   0.069% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.42 +/- 0.24  98.396% * 99.7770% (0.73  10.0 10.00   4.00 132.41) =  99.998%  kept
          HA    THR   77 - HG2   PRO   93  12.16 +/- 2.81   1.292% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   TRP   27 - HG2   PRO   93  19.43 +/- 2.84   0.313% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HG2   PRO   93   2.79 +/- 0.24  77.780% * 98.6805% (0.90  10.0 10.00   4.00 132.41) =  99.971%  kept
          QB    PHE   55 - HG2   PRO   93  10.17 +/- 4.41  12.969% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.015%
          HB3   CYS   53 - HG2   PRO   93   9.54 +/- 2.53   5.203% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.007%
        T HD3   PRO   68 - HG2   PRO   93  19.46 +/- 2.97   0.283% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PHE   59 - HG2   PRO   93  11.56 +/- 3.21   2.610% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HG2   PRO   93  13.68 +/- 3.37   1.155% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.82 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 = 25.2:
    * O T HB    THR   94 - HA    THR   94   3.02 +/- 0.07  89.901% * 99.2375% (0.84  10.0 10.00   2.43  25.19) =  99.991%  kept
          QB    SER   48 - HA    THR   94  12.74 +/- 2.12   2.296% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QB    SER   85 - HA    THR   94  13.44 +/- 1.14   1.107% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HA    THR   94  11.20 +/- 0.97   1.989% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - HA    THR   94  16.52 +/- 3.39   1.017% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HA    THR   94  15.70 +/- 1.77   0.782% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    THR   94  17.00 +/- 1.29   0.535% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HA    THR   94  17.03 +/- 1.79   0.559% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HA    THR   94  13.47 +/- 2.25   1.613% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  24.08 +/- 3.42   0.201% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 25.2:
    * O T QG2   THR   94 - HA    THR   94   2.52 +/- 0.25  86.934% * 99.7175% (1.00  10.0 10.00   2.99  25.19) =  99.988%  kept
          HD2   LYS+ 112 - HA    THR   94   8.06 +/- 2.12   8.517% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HB3   LYS+ 112 - HA    THR   94   9.35 +/- 1.50   2.852% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   71 - HA    THR   94  17.39 +/- 3.75   0.647% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HA    THR   94  11.70 +/- 1.54   1.050% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.2:
    * O T HA    THR   94 - HB    THR   94   3.02 +/- 0.07  98.043% * 99.9751% (0.84  10.0 10.00   2.43  25.19) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94  11.60 +/- 1.84   1.957% *  0.0249% (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 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 = 2.53, residual support = 25.2:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  96.285% * 99.7175% (0.84  10.0 10.00   2.53  25.19) =  99.997%  kept
          HD2   LYS+ 112 - HB    THR   94   9.97 +/- 2.09   1.618% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HB    THR   94  11.51 +/- 1.61   0.820% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HB    THR   94  17.06 +/- 3.19   0.427% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    THR   94  11.25 +/- 1.81   0.849% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 25.2:
    * O T HA    THR   94 - QG2   THR   94   2.52 +/- 0.25  98.108% * 99.9751% (1.00  10.0 10.00   2.99  25.19) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.52 +/- 1.49   1.892% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.53, residual support = 25.2:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  94.099% * 99.2375% (0.84  10.0 10.00   2.53  25.19) =  99.995%  kept
          QB    SER   48 - QG2   THR   94  11.31 +/- 1.80   1.259% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QG2   THR   94   9.43 +/- 1.05   1.257% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QG2   THR   94  14.37 +/- 2.86   0.554% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QG2   THR   94  10.71 +/- 1.00   0.855% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.41 +/- 1.32   0.279% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  14.87 +/- 1.57   0.378% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  15.04 +/- 2.16   0.335% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  13.03 +/- 2.04   0.849% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  20.17 +/- 3.04   0.135% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.05 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.45) = 100.000%  kept
    Distance limit 3.82 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   2.50 +/- 0.12  98.757% * 99.8670% (1.00  10.0 10.00   4.00  73.45) =  99.999%  kept
          HG2   GLN  116 - HA    PHE   95  11.79 +/- 1.21   1.050% *  0.0990% (0.99   1.0  1.00   0.02   0.78) =   0.001%
          HG2   GLU-  25 - HA    PHE   95  21.34 +/- 2.33   0.193% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.05 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.45) = 100.000%  kept
    Distance limit 3.91 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  99.426% * 99.8670% (1.00  10.0 10.00   3.31  73.45) =  99.999%  kept
          HG2   GLN  116 - HB2   PHE   95  10.49 +/- 1.22   0.530% *  0.0990% (0.99   1.0  1.00   0.02   0.78) =   0.001%
          HG2   GLU-  25 - HB2   PHE   95  23.72 +/- 2.00   0.044% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.50 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.45) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.45) = 100.000%  kept
    Distance limit 2.69 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 = 0.976, support = 4.98, residual support = 114.5:
    * O T HB2   MET   96 - HA    MET   96   3.00 +/- 0.08  81.004% * 95.8530% (0.98  10.0 10.00   5.00 115.38) =  99.245%  kept
          HB2   ASP- 105 - HA    MET   96   5.75 +/- 1.09  15.393% *  3.8220% (0.40   1.0  1.00   1.94   0.02) =   0.752%  kept
          HB    VAL   70 - HA    MET   96  11.77 +/- 1.54   1.568% *  0.0733% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    MET   96  14.82 +/- 1.04   0.709% *  0.0696% (0.71   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   96  15.43 +/- 1.73   0.679% *  0.0620% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    MET   96  18.26 +/- 2.68   0.405% *  0.0658% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  21.59 +/- 2.22   0.242% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HA    MET   96   2.67 +/- 0.19  98.056% * 99.7402% (0.98  10.0 10.00   5.00 115.38) =  99.999%  kept
          HB2   LEU   40 - HA    MET   96  11.79 +/- 0.95   1.303% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HA    MET   96  24.37 +/- 3.34   0.163% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.08 +/- 2.93   0.386% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  30.03 +/- 5.28   0.092% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HG2   MET   96 - HA    MET   96   2.98 +/- 0.53  99.391% * 99.6261% (0.98  10.0 10.00   4.44 115.38) =  99.998%  kept
        T HB2   PRO   52 - HA    MET   96  18.37 +/- 3.38   0.609% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.594, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HA    MET   96   2.77 +/- 0.52  92.092% * 99.7437% (0.59  10.0 10.00   4.44 115.38) =  99.997%  kept
          HB3   TRP   87 - HA    MET   96   8.24 +/- 2.01   5.623% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HA    MET   96  14.44 +/- 2.89   1.260% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN  116 - HA    MET   96  14.87 +/- 0.93   0.796% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  22.64 +/- 1.63   0.230% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.4:
    * O T HA    MET   96 - HB2   MET   96   3.00 +/- 0.08  95.861% * 99.9773% (0.98  10.0 10.00   5.00 115.38) =  99.999%  kept
          HA    PHE   72 - HB2   MET   96  10.23 +/- 1.78   4.139% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.4:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.376% * 99.7402% (1.00  10.0 10.00   5.00 115.38) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.21 +/- 0.80   0.405% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  22.79 +/- 4.14   0.066% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  28.32 +/- 6.13   0.042% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.28 +/- 3.36   0.112% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.30  99.548% * 99.6261% (1.00  10.0 10.00   4.44 115.38) =  99.998%  kept
        T HB2   PRO   52 - HB2   MET   96  18.95 +/- 3.04   0.452% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB2   MET   96   2.74 +/- 0.25  90.576% * 99.7437% (0.61  10.0 10.00   4.44 115.38) =  99.996%  kept
          HB3   TRP   87 - HB2   MET   96   7.31 +/- 1.85   6.780% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  62 - HB2   MET   96  14.85 +/- 3.11   1.964% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB2   MET   96  20.87 +/- 1.76   0.230% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  16.58 +/- 0.71   0.450% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.67 +/- 0.19  98.239% * 99.9773% (0.98  10.0 10.00   5.00 115.38) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96  11.27 +/- 1.71   1.761% *  0.0227% (0.22   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 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  97.956% * 99.6213% (1.00  10.0 10.00   5.00 115.38) =  99.999%  kept
          HB2   ASP- 105 - HB3   MET   96   8.24 +/- 1.06   1.127% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.18 +/- 1.29   0.325% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.42 +/- 2.09   0.260% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.59 +/- 0.93   0.145% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  17.97 +/- 3.30   0.108% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  19.79 +/- 2.95   0.079% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.80 +/- 0.24  99.481% * 99.6261% (1.00  10.0 10.00   4.44 115.38) =  99.998%  kept
        T HB2   PRO   52 - HB3   MET   96  18.25 +/- 3.20   0.519% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 4.44, residual support = 115.4:
    * O T HG3   MET   96 - HB3   MET   96   2.75 +/- 0.26  86.718% * 99.7437% (0.61  10.0 10.00   4.44 115.38) =  99.994%  kept
          HB3   TRP   87 - HB3   MET   96   6.43 +/- 2.16  11.552% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  62 - HB3   MET   96  15.03 +/- 3.13   1.083% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  22.24 +/- 1.64   0.188% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  16.17 +/- 0.89   0.459% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.4:
    * O T HA    MET   96 - HG2   MET   96   2.98 +/- 0.53  94.755% * 99.6779% (0.98  10.0 10.00   4.44 115.38) =  99.997%  kept
        T HA    MET   96 - HB2   PRO   52  18.37 +/- 3.38   0.579% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   72 - HG2   MET   96  11.79 +/- 1.83   3.769% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   PRO   52  20.03 +/- 5.00   0.897% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 4.44, residual support = 115.2:
    * O T HB2   MET   96 - HG2   MET   96   2.63 +/- 0.30  88.691% * 96.9192% (1.00  10.0 10.00   4.44 115.38) =  99.834%  kept
          HB2   ASP- 105 - HG2   MET   96   7.55 +/- 1.54   5.912% *  2.3593% (0.41   1.0  1.00   1.18   0.02) =   0.162%  kept
        T HB2   MET   96 - HB2   PRO   52  18.95 +/- 3.04   0.402% *  0.2847% (0.29   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  12.54 +/- 1.62   1.059% *  0.0741% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   MET   96  13.93 +/- 1.37   0.661% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   MET   96  15.05 +/- 2.30   0.683% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.65 +/- 3.34   0.303% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  18.09 +/- 5.22   0.921% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  20.26 +/- 3.37   0.224% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  19.79 +/- 3.14   0.315% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  20.74 +/- 3.46   0.249% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  20.31 +/- 3.64   0.364% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  28.11 +/- 5.36   0.142% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.32 +/- 3.30   0.074% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG2   MET   96   2.80 +/- 0.24  91.604% * 99.3732% (1.00  10.0 10.00   4.44 115.38) =  99.996%  kept
        T HB3   MET   96 - HB2   PRO   52  18.25 +/- 3.20   0.478% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   40 - HG2   MET   96  11.78 +/- 1.43   1.653% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - HB2   PRO   52   7.73 +/- 0.79   5.170% *  0.0073% (0.07   1.0  1.00   0.02   1.91) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  24.17 +/- 4.23   0.208% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  29.78 +/- 6.34   0.154% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.66 +/- 3.31   0.364% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.53 +/- 3.64   0.176% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  28.82 +/- 4.10   0.112% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  33.57 +/- 6.01   0.081% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.4:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  95.533% * 99.2819% (0.61  10.0 10.00   4.00 115.38) =  99.998%  kept
          HB3   TRP   87 - HG2   MET   96   7.28 +/- 2.73   2.344% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   MET   96 - HB2   PRO   52  20.11 +/- 3.14   0.083% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  14.67 +/- 2.22   0.221% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  12.98 +/- 3.68   1.218% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.33 +/- 3.13   0.296% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  21.34 +/- 2.42   0.060% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  17.44 +/- 1.15   0.101% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  19.66 +/- 3.91   0.130% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.70 +/- 3.35   0.014% *  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   2.77 +/- 0.52  98.216% * 99.9773% (0.59  10.0 10.00   4.44 115.38) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  12.15 +/- 1.80   1.784% *  0.0227% (0.14   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 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 4.43, residual support = 115.1:
    * O T HB2   MET   96 - HG3   MET   96   2.74 +/- 0.25  85.210% * 97.6893% (0.61  10.0 10.00   4.44 115.38) =  99.716%  kept
          HB2   ASP- 105 - HG3   MET   96   7.22 +/- 1.31  11.879% *  1.9795% (0.25   1.0  1.00   0.99   0.02) =   0.282%  kept
          HB    VAL   70 - HG3   MET   96  12.84 +/- 1.37   0.951% *  0.0747% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   MET   96  13.90 +/- 1.17   0.728% *  0.0709% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG3   MET   96  15.28 +/- 2.34   0.646% *  0.0632% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.94 +/- 2.76   0.320% *  0.0671% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  20.52 +/- 3.09   0.266% *  0.0553% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.4:
    * O T HB3   MET   96 - HG3   MET   96   2.75 +/- 0.26  97.896% * 99.7402% (0.61  10.0 10.00   4.44 115.38) =  99.998%  kept
          HB2   LEU   40 - HG3   MET   96  11.94 +/- 1.27   1.458% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HG3   MET   96  24.56 +/- 3.92   0.213% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.05 +/- 6.05   0.116% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.84 +/- 3.32   0.317% *  0.0249% (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 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  99.913% * 99.6261% (0.61  10.0 10.00   4.00 115.38) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  20.11 +/- 3.14   0.087% *  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   2.97 +/- 0.20  82.070% * 99.7149% (1.00  10.0 10.00   2.89  62.25) =  99.988%  kept
          QE    LYS+ 106 - HA    PHE   97   7.57 +/- 1.11   5.793% *  0.0724% (0.73   1.0  1.00   0.02  11.80) =   0.005%
          QE    LYS+  99 - HA    PHE   97   7.56 +/- 1.07   7.131% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PHE   60 - HA    PHE   97  12.08 +/- 2.83   2.935% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HA    PHE   97  13.70 +/- 1.60   0.989% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    PHE   97  13.65 +/- 1.62   1.082% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.2:
    * O T HB3   PHE   97 - HA    PHE   97   2.61 +/- 0.19  94.934% * 99.7224% (0.95  10.0 10.00   3.44  62.25) =  99.997%  kept
          HB2   PRO   58 - HA    PHE   97  16.40 +/- 4.51   1.531% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLU- 100 - HA    PHE   97  11.30 +/- 0.70   1.235% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    PHE   97  15.41 +/- 1.21   0.498% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  15.54 +/- 3.51   1.802% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.2:
    * O T HA    PHE   97 - HB2   PHE   97   2.97 +/- 0.20 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.25) = 100.000%  kept
    Distance limit 3.82 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  97.938% * 99.7224% (0.95  10.0 10.00   3.31  62.25) =  99.998%  kept
          HB2   PRO   58 - HB2   PHE   97  16.56 +/- 5.09   1.224% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HB2   PHE   97  11.99 +/- 1.07   0.334% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.64 +/- 1.20   0.179% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  17.50 +/- 3.59   0.325% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.2:
    * O T HA    PHE   97 - HB3   PHE   97   2.61 +/- 0.19 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.25) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.2:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  93.792% * 95.4750% (0.95  10.0 10.00   3.31  62.25) =  99.843%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.01 +/- 1.49   3.222% *  4.3213% (0.69   1.0  1.00   1.25  11.80) =   0.155%  kept
          QE    LYS+  99 - HB3   PHE   97   7.17 +/- 1.19   1.950% *  0.0393% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   PHE   97  12.86 +/- 3.12   0.632% *  0.0502% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  15.76 +/- 1.10   0.136% *  0.0953% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  13.71 +/- 2.03   0.267% *  0.0189% (0.19   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 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 77.3:
    * O T QB    LEU   98 - HA    LEU   98   2.24 +/- 0.10  88.966% * 99.2568% (0.87  10.0 10.00   4.97  77.33) =  99.994%  kept
          QB    ALA   61 - HA    LEU   98  14.76 +/- 4.31   3.934% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    LEU   98  14.78 +/- 6.25   0.825% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LEU   98   7.78 +/- 1.32   2.740% *  0.0226% (0.20   1.0  1.00   0.02   0.42) =   0.001%
          HB2   LEU   80 - HA    LEU   98  15.76 +/- 3.00   0.518% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LEU   98  16.87 +/- 2.27   0.319% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  15.85 +/- 3.14   0.587% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.68 +/- 3.56   0.289% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.53 +/- 1.40   0.254% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  13.82 +/- 2.10   0.476% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  15.21 +/- 2.50   0.347% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.47 +/- 2.36   0.474% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.69 +/- 3.81   0.111% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.35 +/- 2.17   0.160% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.948, support = 4.92, residual support = 72.4:
    *   T QD1   LEU   98 - HA    LEU   98   3.01 +/- 0.44  48.409% * 92.7589% (1.00 10.00   4.92  77.33) =  92.505%  kept
          QD2   LEU  104 - HA    LEU   98   3.33 +/- 1.50  50.615% *  7.1880% (0.31  1.00   5.02  12.12) =   7.495%  kept
          QG2   ILE   19 - HA    LEU   98  15.59 +/- 2.30   0.443% *  0.0348% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.71 +/- 2.26   0.533% *  0.0184% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.22, residual support = 75.6:
    *   T QD2   LEU   98 - HA    LEU   98   3.71 +/- 0.53  70.311% * 89.6256% (1.00 10.00   4.28  77.33) =  96.776%  kept
          QG2   VAL   41 - HA    LEU   98   6.38 +/- 1.34  21.864% *  9.4413% (0.95  1.00   2.23  24.06) =   3.170%  kept
        T QD1   LEU   80 - HA    LEU   98  13.81 +/- 2.78   3.716% *  0.8963% (1.00 10.00   0.02   0.02) =   0.051%
          QD2   LEU   63 - HA    LEU   98  10.92 +/- 2.24   4.109% *  0.0368% (0.41  1.00   0.02   0.02) =   0.002%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 77.3:
    * O T HA    LEU   98 - QB    LEU   98   2.24 +/- 0.10 100.000% *100.0000% (0.87  10.0 10.00   4.97  77.33) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.86, support = 3.93, residual support = 76.5:
    * O T QD1   LEU   98 - QB    LEU   98   2.11 +/- 0.15  78.836% * 94.9851% (0.87  10.0 10.00   3.94  77.33) =  98.732%  kept
          QD2   LEU  104 - QB    LEU   98   4.26 +/- 1.28  20.037% *  4.7913% (0.27   1.0  1.00   3.27  12.12) =   1.266%  kept
        T QD1   ILE   19 - QB    LEU   98  12.14 +/- 2.47   0.590% *  0.1880% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QB    LEU   98  12.85 +/- 2.62   0.537% *  0.0356% (0.33   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 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.857, support = 3.16, residual support = 65.9:
    * O T QD2   LEU   98 - QB    LEU   98   2.10 +/- 0.15  75.299% * 51.1151% (0.87  10.0 10.00   3.34  77.33) =  78.515%  kept
        T QG2   VAL   41 - QB    LEU   98   4.21 +/- 1.43  21.762% * 48.3528% (0.82   1.0 10.00   2.51  24.06) =  21.465%  kept
        T QD1   LEU   80 - QB    LEU   98  10.89 +/- 2.47   1.863% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.019%
          QD2   LEU   63 - QB    LEU   98   9.70 +/- 2.12   1.077% *  0.0210% (0.36   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 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.92, residual support = 77.3:
    *   T HA    LEU   98 - QD1   LEU   98   3.01 +/- 0.44 100.000% *100.0000% (1.00 10.00   4.92  77.33) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 77.3:
    * O T QB    LEU   98 - QD1   LEU   98   2.11 +/- 0.15  77.817% * 98.1517% (0.87  10.0 10.00   3.94  77.33) =  99.980%  kept
        T HG    LEU   80 - QD1   LEU   98  12.12 +/- 2.82   0.866% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA   61 - QD1   LEU   98  12.95 +/- 3.76   8.773% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T HG12  ILE   19 - QD1   LEU   98  13.86 +/- 3.68   0.421% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL   42 - QD1   LEU   98   7.05 +/- 1.86   7.853% *  0.0224% (0.20   1.0  1.00   0.02   0.42) =   0.002%
          HB2   LEU   80 - QD1   LEU   98  12.01 +/- 2.69   0.872% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD1   LEU   98  14.05 +/- 4.74   0.479% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD1   LEU   98  13.82 +/- 2.02   0.375% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - QD1   LEU   98  14.57 +/- 1.48   0.281% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.02 +/- 2.58   0.554% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  11.74 +/- 2.37   0.738% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.29 +/- 1.79   0.574% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.87 +/- 3.62   0.166% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  16.87 +/- 2.34   0.232% *  0.0224% (0.20   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 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 = 2.64, residual support = 77.0:
    * O T QD2   LEU   98 - QD1   LEU   98   2.03 +/- 0.06  88.185% * 94.3538% (1.00  10.0 10.00   2.65  77.33) =  99.466%  kept
          QG2   VAL   41 - QD1   LEU   98   4.82 +/- 0.98   9.287% *  4.6638% (0.95   1.0  1.00   1.05  24.06) =   0.518%  kept
        T QD1   LEU   80 - QD1   LEU   98  10.56 +/- 2.65   1.358% *  0.9435% (1.00   1.0 10.00   0.02   0.02) =   0.015%
          QD2   LEU   63 - QD1   LEU   98   9.98 +/- 2.41   1.170% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 77.3:
    *   T HA    LEU   98 - QD2   LEU   98   3.71 +/- 0.53  95.114% * 99.4301% (1.00 10.00   4.28  77.33) =  99.971%  kept
        T HA    LEU   98 - QD1   LEU   80  13.81 +/- 2.78   4.886% *  0.5699% (0.57 10.00   0.02   0.02) =   0.029%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.692, support = 3.92, residual support = 80.3:
    * O T QB    LEU   98 - QD2   LEU   98   2.10 +/- 0.15  32.844% * 50.2516% (0.87  10.0 10.00   3.34  77.33) =  60.828%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.79 +/- 0.40  16.938% * 32.0468% (0.55  10.0 10.00   5.03  85.17) =  20.005%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.01  32.028% * 16.1635% (0.28  10.0  1.00   4.66  85.17) =  19.079%  kept
          HB    VAL   42 - QD2   LEU   98   6.09 +/- 1.81   7.959% *  0.2146% (0.20   1.0  1.00   0.37   0.42) =   0.063%
        T HB2   LEU   80 - QD2   LEU   98  11.14 +/- 2.70   0.471% *  0.5591% (0.97   1.0 10.00   0.02   0.02) =   0.010%
        T QB    LEU   98 - QD1   LEU   80  10.89 +/- 2.47   0.850% *  0.2880% (0.50   1.0 10.00   0.02   0.02) =   0.009%
          HB3   LYS+  74 - QD1   LEU   80   8.39 +/- 2.76   1.036% *  0.0331% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QD2   LEU   98  12.17 +/- 3.54   1.532% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD2   LEU   98  11.14 +/- 2.82   0.726% *  0.0282% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   98  12.45 +/- 2.37   0.253% *  0.0578% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD2   LEU   98  14.37 +/- 3.98   0.232% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  12.40 +/- 4.12   0.278% *  0.0351% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   8.60 +/- 3.00   1.565% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98  10.40 +/- 2.84   0.705% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  12.55 +/- 4.83   0.277% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.78 +/- 2.85   0.338% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.74 +/- 1.67   0.113% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  16.76 +/- 4.87   0.167% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.04 +/- 1.60   0.265% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.71 +/- 4.02   0.083% *  0.0351% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  11.83 +/- 2.08   0.246% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  11.45 +/- 2.60   0.378% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  20.61 +/- 3.40   0.060% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  15.84 +/- 2.28   0.091% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  13.58 +/- 3.98   0.177% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  15.66 +/- 2.28   0.095% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  13.62 +/- 2.55   0.164% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  15.22 +/- 2.97   0.127% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 0.994, support = 2.63, residual support = 76.8:
    * O T QD1   LEU   98 - QD2   LEU   98   2.03 +/- 0.06  87.286% * 89.3707% (1.00  10.0 10.00   2.65  77.33) =  99.165%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.29 +/- 0.89   6.563% *  9.8783% (0.31   1.0 10.00   0.72  12.12) =   0.824%  kept
        T QD1   LEU   98 - QD1   LEU   80  10.56 +/- 2.65   1.341% *  0.5123% (0.57   1.0 10.00   0.02   0.02) =   0.009%
        T QD2   LEU  104 - QD1   LEU   80  13.32 +/- 3.19   0.672% *  0.1581% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - QD2   LEU   98  11.60 +/- 3.02   0.951% *  0.0335% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80  10.37 +/- 4.38   1.334% *  0.0192% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.95 +/- 2.81   0.864% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  10.93 +/- 3.63   0.988% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 174.2:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.16 +/- 0.54  79.428% * 98.3494% (1.00  10.0 10.00   6.44 174.38) =  99.916%  kept
          QG2   THR   39 - HA    LYS+  99   7.73 +/- 1.91   8.720% *  0.4694% (0.65   1.0  1.00   0.15   0.02) =   0.052%
        T HG3   LYS+  38 - HA    LYS+  99   9.68 +/- 1.81   4.396% *  0.3691% (0.38   1.0 10.00   0.02   0.02) =   0.021%
          HG    LEU   71 - HA    LYS+  99  11.00 +/- 1.95   2.993% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.004%
        T HG12  ILE   89 - HA    LYS+  99  16.87 +/- 1.47   0.667% *  0.4043% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HG13  ILE   19 - HA    LYS+  99  15.98 +/- 3.62   1.475% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HA    LYS+  99  17.46 +/- 2.57   0.921% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   91 - HA    LYS+  99  19.09 +/- 1.14   0.450% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  18.37 +/- 2.44   0.627% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.49 +/- 2.90   0.322% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.748, support = 5.91, residual support = 174.3:
    *   T QD    LYS+  99 - HA    LYS+  99   3.51 +/- 0.72  34.027% * 69.7607% (1.00   1.0 10.00   5.82 174.38) =  57.278%  kept
      O T HB3   LYS+  99 - HA    LYS+  99   2.60 +/- 0.24  61.700% * 28.6795% (0.41  10.0 10.00   6.05 174.38) =  42.698%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.18 +/- 1.58   1.040% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.017%
        T QG1   ILE   56 - HA    LYS+  99  17.87 +/- 2.92   0.321% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU  123 - HA    LYS+  99  19.84 +/- 5.71   0.244% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+  99   8.61 +/- 0.93   1.966% *  0.0155% (0.22   1.0  1.00   0.02   1.62) =   0.001%
          HB2   LEU   73 - HA    LYS+  99  15.47 +/- 2.31   0.398% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+  99  22.56 +/- 0.77   0.096% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.16 +/- 2.65   0.111% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.48 +/- 0.97   0.098% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 0.984, support = 6.98, residual support = 171.2:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.99 +/- 0.59  59.224% * 94.9962% (1.00  10.0 10.00   7.05 174.38) =  97.962%  kept
          HG    LEU   98 - HA    LYS+  99   4.71 +/- 1.35  31.532% *  3.6012% (0.22   1.0  1.00   3.41  18.56) =   1.977%  kept
        T HG2   LYS+  38 - HA    LYS+  99   9.80 +/- 2.07   3.400% *  0.9312% (0.98   1.0 10.00   0.02   0.02) =   0.055%
          HB2   LEU   31 - HA    LYS+  99  11.63 +/- 2.96   1.719% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   80 - HA    LYS+  99  17.95 +/- 3.11   0.717% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+  99  15.14 +/- 1.84   0.709% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+  99  16.43 +/- 1.21   0.429% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+  99  14.42 +/- 1.47   0.652% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  17.95 +/- 6.51   0.594% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.38 +/- 1.59   0.432% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.69 +/- 2.82   0.145% *  0.0852% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  16.89 +/- 2.27   0.447% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 173.0:
    *   T QE    LYS+  99 - HA    LYS+  99   3.41 +/- 0.74  73.507% * 91.7476% (1.00 10.00   5.43 174.38) =  99.216%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.92 +/- 0.93   6.079% *  7.3508% (0.69 10.00   0.23   1.62) =   0.657%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.73 +/- 2.02   9.989% *  0.8228% (0.90 10.00   0.02   0.02) =   0.121%  kept
          HB2   PHE   97 - HA    LYS+  99   7.76 +/- 0.63   8.950% *  0.0377% (0.41  1.00   0.02   0.02) =   0.005%
          HB3   TRP   27 - HA    LYS+  99  15.57 +/- 2.12   1.475% *  0.0411% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 6.99, residual support = 174.0:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.84 +/- 0.29  79.827% * 98.0929% (1.00  10.0 10.00   7.00 174.38) =  99.773%  kept
          HA    LEU   40 - HB2   LYS+  99   6.36 +/- 1.64  11.704% *  1.4865% (0.25   1.0  1.00   1.22  10.62) =   0.222%  kept
          HA    ASN   35 - HB2   LYS+  99  10.96 +/- 1.97   2.119% *  0.0947% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HB2   LYS+  99  18.75 +/- 7.00   0.633% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LYS+  99  20.17 +/- 5.81   3.534% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HB2   LYS+  99  17.91 +/- 3.89   1.201% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  23.02 +/- 3.71   0.307% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.00 +/- 1.69   0.187% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  19.77 +/- 3.41   0.335% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  24.80 +/- 3.35   0.153% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.42, residual support = 174.3:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.77 +/- 0.30  88.892% * 97.9653% (1.00  10.0 10.00   6.42 174.38) =  99.937%  kept
          QG2   THR   39 - HB2   LYS+  99   9.48 +/- 1.91   4.818% *  0.8581% (0.65   1.0  1.00   0.27   0.02) =   0.047%
        T HG3   LYS+  38 - HB2   LYS+  99  10.73 +/- 1.78   2.407% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.010%
        T HG12  ILE   89 - HB2   LYS+  99  17.52 +/- 1.61   0.402% *  0.4027% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   71 - HB2   LYS+  99  12.60 +/- 2.40   1.620% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - HB2   LYS+  99  17.94 +/- 2.86   0.473% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB2   LYS+  99  19.13 +/- 2.42   0.402% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.40 +/- 1.32   0.294% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  18.44 +/- 2.69   0.476% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  23.17 +/- 3.20   0.215% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.69, support = 5.21, residual support = 174.4:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  71.544% * 29.0322% (0.41  10.0   4.78 174.38) =  52.585%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.65 +/- 0.47  26.520% * 70.6187% (1.00  10.0   5.69 174.38) =  47.413%  kept
          QD    LYS+ 106 - HB2   LYS+  99  10.55 +/- 1.64   0.464% *  0.0705% (1.00   1.0   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HB2   LYS+  99   8.06 +/- 1.39   1.038% *  0.0157% (0.22   1.0   0.02   1.62) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.97 +/- 3.27   0.155% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  17.31 +/- 1.97   0.086% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  19.15 +/- 5.99   0.093% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  23.13 +/- 0.90   0.032% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.77 +/- 2.81   0.036% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.98 +/- 0.73   0.032% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.01, residual support = 173.8:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.65 +/- 0.25  84.233% * 96.1379% (1.00  10.0   7.03 174.38) =  99.601%  kept
          HG    LEU   98 - HB2   LYS+  99   6.00 +/- 1.03   9.751% *  3.2906% (0.22   1.0   3.07  18.56) =   0.395%  kept
          HG2   LYS+  38 - HB2   LYS+  99  11.04 +/- 1.91   1.690% *  0.0942% (0.98   1.0   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  99  13.52 +/- 2.45   0.904% *  0.0803% (0.84   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+  99  16.77 +/- 1.39   0.369% *  0.0698% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  19.55 +/- 3.12   0.389% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  15.82 +/- 1.92   0.452% *  0.0544% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  17.34 +/- 6.83   0.813% *  0.0297% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.55 +/- 1.57   0.494% *  0.0431% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  23.37 +/- 3.11   0.182% *  0.0862% (0.90   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  17.37 +/- 1.64   0.375% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  17.82 +/- 2.34   0.347% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 5.21, residual support = 174.1:
    *     QE    LYS+  99 - HB2   LYS+  99   3.50 +/- 0.57  73.690% * 98.0874% (1.00   5.21 174.38) =  99.812%  kept
          QE    LYS+ 102 - HB2   LYS+  99   8.54 +/- 1.11   7.304% *  1.2519% (0.69   0.10   1.62) =   0.126%  kept
          QE    LYS+  38 - HB2   LYS+  99   9.39 +/- 1.95   8.258% *  0.3374% (0.90   0.02   0.02) =   0.038%
          HB2   PHE   97 - HB2   LYS+  99   7.26 +/- 0.71   9.955% *  0.1547% (0.41   0.02   0.02) =   0.021%
          HB3   TRP   27 - HB2   LYS+  99  17.49 +/- 1.61   0.793% *  0.1687% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 0.999, support = 6.44, residual support = 174.2:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.16 +/- 0.54  49.201% * 97.6177% (1.00  10.0 10.00   6.44 174.38) =  99.879%  kept
          HA    LEU   40 - HG3   LYS+  99   6.11 +/- 2.02  14.327% *  0.3223% (0.25   1.0  1.00   0.26  10.62) =   0.096%
        T HA    LYS+  99 - HG3   LYS+  38   9.68 +/- 1.81   2.780% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.006%
          HA    ASN   35 - HG3   LYS+  99  10.01 +/- 2.18   2.538% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.005%
        T HA    ILE   56 - HG3   LYS+  99  24.13 +/- 4.01   0.199% *  0.9234% (0.95   1.0 10.00   0.02   0.02) =   0.004%
          HA    ASN   35 - HG3   LYS+  38   5.26 +/- 1.17  17.077% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - HG12  ILE   89  16.87 +/- 1.47   0.422% *  0.3959% (0.41   1.0 10.00   0.02   0.02) =   0.003%
          HA    LEU  123 - HG3   LYS+  99  19.40 +/- 7.84   0.548% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HG3   LYS+  99  18.92 +/- 3.98   0.651% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  21.00 +/- 5.73   0.989% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  19.11 +/- 3.29   0.382% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  17.66 +/- 2.19   0.408% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.46 +/- 1.67   0.148% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.12 +/- 1.02   4.341% *  0.0025% (0.03   1.0  1.00   0.02   0.53) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  28.46 +/- 3.66   0.087% *  0.0964% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  21.95 +/- 2.18   0.202% *  0.0382% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  17.63 +/- 3.34   0.527% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  19.04 +/- 3.91   0.374% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.48 +/- 2.76   0.144% *  0.0343% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  17.60 +/- 1.36   0.362% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  15.49 +/- 5.43   2.403% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  23.92 +/- 3.80   0.159% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  23.47 +/- 7.66   0.222% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  19.63 +/- 3.04   0.306% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.37 +/- 5.34   0.564% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  25.55 +/- 3.48   0.145% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  29.37 +/- 2.72   0.076% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.88 +/- 4.39   0.089% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  23.05 +/- 3.05   0.159% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  24.54 +/- 4.60   0.170% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.06 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 = 0.916, support = 4.73, residual support = 178.2:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.70 +/- 0.49  38.549% * 89.0505% (1.00  10.0 10.00   4.77 174.38) =  90.626%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.60 +/- 0.40  41.635% *  8.3338% (0.09  10.0 10.00   4.40 220.28) =   9.160%  kept
        T QE    LYS+  38 - HG3   LYS+  99   8.31 +/- 2.56   8.177% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.172%  kept
        T QE    LYS+ 102 - HG3   LYS+  99   9.79 +/- 1.49   1.292% *  0.6117% (0.69   1.0 10.00   0.02   1.62) =   0.021%
        T QE    LYS+ 102 - HG3   LYS+  38  13.67 +/- 3.83   4.693% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+  99 - HG3   LYS+  38   7.94 +/- 2.20   2.800% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HG12  ILE   89  14.54 +/- 2.36   0.329% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG12  ILE   89  17.16 +/- 2.38   0.185% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HG3   LYS+  99   9.04 +/- 0.86   1.046% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG12  ILE   89  22.37 +/- 1.93   0.079% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG12  ILE   89  12.50 +/- 1.33   0.419% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  17.81 +/- 1.74   0.138% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  14.97 +/- 3.64   0.316% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.40 +/- 1.76   0.184% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.83 +/- 1.96   0.158% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.998, support = 5.8, residual support = 173.9:
    *   T HA    LYS+  99 - QD    LYS+  99   3.51 +/- 0.72  51.401% * 95.3512% (1.00 10.00   5.82 174.38) =  99.723%  kept
          HA    LEU   40 - QD    LYS+  99   5.45 +/- 2.20  24.262% *  0.3148% (0.25  1.00   0.26  10.62) =   0.155%  kept
        T HA    LYS+  99 - QD    LYS+ 106  11.18 +/- 1.58   3.127% *  0.7677% (0.81 10.00   0.02   0.02) =   0.049%
        T HA    LEU  123 - QD    LYS+  99  16.52 +/- 6.58   1.690% *  0.8271% (0.87 10.00   0.02   0.02) =   0.028%
        T HA    LEU  123 - QD    LYS+ 106  18.39 +/- 4.16   0.829% *  0.6659% (0.70 10.00   0.02   0.02) =   0.011%
        T HA    ILE   56 - QD    LYS+  99  20.86 +/- 3.74   0.510% *  0.9020% (0.95 10.00   0.02   0.02) =   0.009%
        T HA    ILE   56 - QD    LYS+ 106  17.82 +/- 1.95   0.575% *  0.7262% (0.76 10.00   0.02   0.02) =   0.008%
          HA    ASN   35 - QD    LYS+  99   9.53 +/- 2.06   4.458% *  0.0920% (0.97  1.00   0.02   0.02) =   0.008%
          HA    PRO   58 - QD    LYS+  99  18.11 +/- 5.26   5.105% *  0.0147% (0.15  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD    LYS+ 106  14.60 +/- 1.75   1.105% *  0.0641% (0.67  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+ 106  17.74 +/- 2.00   0.621% *  0.0741% (0.78  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD    LYS+ 106  13.16 +/- 1.65   1.646% *  0.0191% (0.20  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+  99  16.20 +/- 3.45   1.258% *  0.0238% (0.25  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+  99  20.24 +/- 1.73   0.372% *  0.0796% (0.84  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - QD    LYS+ 106  15.02 +/- 2.71   1.005% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  16.78 +/- 3.52   0.650% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.69 +/- 2.96   0.667% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  21.27 +/- 3.57   0.292% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  23.07 +/- 2.98   0.281% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  27.60 +/- 2.66   0.147% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 5.83, residual support = 174.1:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.35 +/- 0.16  76.113% * 94.9952% (1.00  10.0  1.00   5.84 174.38) =  99.839%  kept
          HG    LEU   98 - QD    LYS+  99   7.09 +/- 1.18   4.001% *  2.5079% (0.22   1.0  1.00   2.37  18.56) =   0.139%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  13.62 +/- 2.79   0.822% *  0.6859% (0.72   1.0 10.00   0.02   0.02) =   0.008%
          QB    ALA   88 - QD    LYS+ 106   8.68 +/- 2.60   4.867% *  0.0555% (0.58   1.0  1.00   0.02   0.02) =   0.004%
          HG2   LYS+  38 - QD    LYS+  99   8.95 +/- 2.53   2.493% *  0.0931% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+ 111 - QD    LYS+  99  21.69 +/- 3.23   0.149% *  0.8519% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD    LYS+ 106  12.38 +/- 1.98   0.874% *  0.0765% (0.81   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    LYS+  99  12.77 +/- 2.10   0.583% *  0.0793% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    LYS+ 106  14.95 +/- 3.01   0.781% *  0.0525% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   8.95 +/- 1.81   2.171% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    LYS+  99  15.16 +/- 6.42   1.191% *  0.0293% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.81 +/- 1.82   0.928% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  14.08 +/- 2.23   0.467% *  0.0538% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  18.53 +/- 3.03   0.337% *  0.0653% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  16.38 +/- 1.91   0.309% *  0.0690% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.60 +/- 2.83   0.328% *  0.0639% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  12.05 +/- 1.69   0.762% *  0.0261% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  14.58 +/- 1.68   0.374% *  0.0433% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  14.57 +/- 1.76   0.375% *  0.0426% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.49 +/- 2.27   1.123% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  19.00 +/- 1.91   0.162% *  0.0750% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.29 +/- 1.68   0.271% *  0.0324% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  17.52 +/- 3.89   0.267% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  17.04 +/- 2.36   0.250% *  0.0147% (0.15   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 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.27, residual support = 174.2:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.36 +/- 0.15  75.838% * 94.6730% (1.00  10.0 10.00   5.27 174.38) =  99.921%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.51 +/- 2.35   4.585% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.023%
        T HG12  ILE   89 - QD    LYS+ 106   8.96 +/- 2.29   4.273% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.019%
        T HG3   LYS+  99 - QD    LYS+ 106  12.24 +/- 2.09   1.262% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.013%
          QG2   THR   39 - QD    LYS+  99   7.86 +/- 2.29   7.062% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.006%
        T HG2   LYS+  74 - QD    LYS+  99  17.35 +/- 2.27   0.262% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 111 - QD    LYS+ 106  13.33 +/- 2.88   0.801% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+ 106  16.74 +/- 1.87   0.253% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QD    LYS+  99  10.74 +/- 2.73   1.452% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QD    LYS+  99  17.19 +/- 1.96   0.264% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+  99  16.78 +/- 2.72   0.445% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   56 - QD    LYS+ 106  13.75 +/- 1.72   0.470% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   91 - QD    LYS+ 106  10.53 +/- 1.86   1.172% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QD    LYS+ 106  18.97 +/- 2.06   0.174% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  99  21.53 +/- 3.34   0.143% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  99  15.68 +/- 3.08   0.380% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.33 +/- 3.77   0.422% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.40 +/- 1.71   0.417% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  18.48 +/- 1.61   0.179% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.83 +/- 1.85   0.144% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.44, residual support = 173.9:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  79.805% * 93.7033% (1.00  10.0 10.00   4.45 174.38) =  99.702%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.17 +/- 1.07   4.310% *  2.7490% (0.33   1.0  1.00   1.77  11.80) =   0.158%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.24 +/- 2.46   6.687% *  0.8404% (0.90   1.0 10.00   0.02   0.02) =   0.075%
        T QE    LYS+  99 - QD    LYS+ 106  11.32 +/- 2.67   4.233% *  0.7544% (0.81   1.0 10.00   0.02   0.02) =   0.043%
        T QE    LYS+ 102 - QD    LYS+ 106   8.87 +/- 2.06   1.629% *  0.5182% (0.55   1.0 10.00   0.02   0.02) =   0.011%
        T QE    LYS+ 102 - QD    LYS+  99   9.65 +/- 1.07   0.951% *  0.6437% (0.69   1.0 10.00   0.02   1.62) =   0.008%
        T QE    LYS+  38 - QD    LYS+ 106  16.95 +/- 2.02   0.179% *  0.6766% (0.72   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.87 +/- 0.83   1.825% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QD    LYS+  99  16.15 +/- 1.80   0.195% *  0.0420% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.66 +/- 2.19   0.186% *  0.0338% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.986, support = 5.35, residual support = 170.9:
    *   T HA    LYS+  99 - QE    LYS+  99   3.41 +/- 0.74  31.548% * 89.7947% (1.00 10.00   5.43 174.38) =  97.903%  kept
          HA    LEU   40 - QE    LYS+  99   4.48 +/- 1.86  21.887% *  2.0475% (0.25  1.00   1.83  10.62) =   1.549%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.92 +/- 0.93   1.899% *  7.1427% (0.68 10.00   0.23   1.62) =   0.469%  kept
        T HA    LYS+  99 - QE    LYS+  38   8.73 +/- 2.02   4.644% *  0.2423% (0.27 10.00   0.02   0.02) =   0.039%
          HA    ASN   35 - QE    LYS+ 102  12.41 +/- 4.26   4.737% *  0.0591% (0.66  1.00   0.02   0.02) =   0.010%
          HA    ASN   35 - QE    LYS+  99   8.97 +/- 1.73   3.019% *  0.0867% (0.97  1.00   0.02   0.02) =   0.009%
          HA    ASN   35 - QE    LYS+  38   5.97 +/- 1.36  10.351% *  0.0234% (0.26  1.00   0.02   0.02) =   0.008%
          HA    LEU   40 - QE    LYS+ 102  10.84 +/- 2.95  11.574% *  0.0153% (0.17  1.00   0.02   0.02) =   0.006%
          HA    LEU  123 - QE    LYS+  99  16.17 +/- 6.48   1.120% *  0.0779% (0.87  1.00   0.02   0.02) =   0.003%
          HA    LEU   40 - QE    LYS+  38   7.66 +/- 1.09   3.579% *  0.0060% (0.07  1.00   0.02   0.53) =   0.001%
          HA    ILE   56 - QE    LYS+  99  20.40 +/- 3.61   0.198% *  0.0849% (0.95  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - QE    LYS+  99  20.11 +/- 1.82   0.163% *  0.0750% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.68 +/- 3.19   0.542% *  0.0224% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  17.52 +/- 4.78   0.818% *  0.0139% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  21.72 +/- 5.87   0.203% *  0.0531% (0.59  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  20.63 +/- 7.03   0.327% *  0.0210% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.58 +/- 2.24   0.120% *  0.0512% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  15.62 +/- 3.55   0.492% *  0.0122% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  24.16 +/- 2.82   0.096% *  0.0579% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  14.52 +/- 4.58   0.983% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  20.17 +/- 3.54   0.196% *  0.0153% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  20.03 +/- 3.41   0.197% *  0.0122% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  25.33 +/- 3.55   0.086% *  0.0229% (0.26  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.98 +/- 5.03   0.205% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  26.05 +/- 2.78   0.079% *  0.0202% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  22.32 +/- 4.30   0.159% *  0.0094% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  17.97 +/- 4.83   0.351% *  0.0033% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  20.54 +/- 3.08   0.169% *  0.0060% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  26.13 +/- 4.58   0.096% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  21.89 +/- 4.41   0.164% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.54, support = 4.64, residual support = 174.3:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  60.413% * 59.3947% (0.41  10.0 10.00   4.45 174.38) =  77.972%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.15 +/- 0.74  26.386% * 38.2895% (1.00   1.0  1.00   5.30 174.38) =  21.954%  kept
        T QD    LYS+ 106 - QE    LYS+  99  11.32 +/- 2.67   3.100% *  0.5422% (0.38   1.0 10.00   0.02   0.02) =   0.037%
        T QD    LYS+  99 - QE    LYS+  38   7.24 +/- 2.46   4.402% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.015%
        T QD    LYS+ 106 - QE    LYS+ 102   8.87 +/- 2.06   1.162% *  0.3698% (0.26   1.0 10.00   0.02   0.02) =   0.009%
        T QD    LYS+  99 - QE    LYS+ 102   9.65 +/- 1.07   0.733% *  0.4051% (0.28   1.0 10.00   0.02   1.62) =   0.006%
          HB3   LYS+  99 - QE    LYS+ 102   9.03 +/- 1.28   1.072% *  0.0985% (0.68   1.0  1.00   0.02   1.62) =   0.002%
          HB3   LYS+  99 - QE    LYS+  38   9.65 +/- 2.14   1.312% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QE    LYS+  99  16.02 +/- 3.17   0.297% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QE    LYS+  38  16.95 +/- 2.02   0.133% *  0.1463% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  17.92 +/- 2.35   0.128% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  15.32 +/- 1.99   0.177% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  19.30 +/- 2.48   0.091% *  0.0966% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  15.02 +/- 2.17   0.198% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.56 +/- 2.85   0.156% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  20.71 +/- 2.94   0.077% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  22.75 +/- 1.98   0.049% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.30 +/- 1.82   0.115% *  0.0087% (0.06   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.906, support = 4.7, residual support = 176.8:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.70 +/- 0.49  32.135% * 83.7430% (1.00  10.0 10.00   4.77 174.38) =  89.008%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.60 +/- 0.40  34.910% *  8.4792% (0.10  10.0 10.00   4.40 220.28) =   9.790%  kept
          QG2   THR   39 - QE    LYS+  99   6.63 +/- 2.23   9.119% *  2.6704% (0.65   1.0  1.00   0.99   0.02) =   0.805%  kept
          QG2   THR   39 - QE    LYS+  38   6.67 +/- 1.09   3.252% *  2.3953% (0.17   1.0  1.00   3.28  23.91) =   0.258%  kept
        T HG3   LYS+  99 - QE    LYS+  38   8.31 +/- 2.56   6.970% *  0.2259% (0.27   1.0 10.00   0.02   0.02) =   0.052%
        T HG3   LYS+  38 - QE    LYS+ 102  13.67 +/- 3.83   4.000% *  0.2143% (0.26   1.0 10.00   0.02   0.02) =   0.028%
        T HG3   LYS+  38 - QE    LYS+  99   7.94 +/- 2.20   2.376% *  0.3143% (0.38   1.0 10.00   0.02   0.02) =   0.025%
        T HG3   LYS+  99 - QE    LYS+ 102   9.79 +/- 1.49   1.084% *  0.5711% (0.68   1.0 10.00   0.02   1.62) =   0.020%
          HG    LEU   71 - QE    LYS+  99   9.70 +/- 2.35   1.246% *  0.0830% (0.99   1.0  1.00   0.02   0.02) =   0.003%
        T HG12  ILE   89 - QE    LYS+ 102  14.54 +/- 2.36   0.275% *  0.2348% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T HG12  ILE   89 - QE    LYS+  99  17.16 +/- 2.38   0.156% *  0.3443% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QE    LYS+ 102  12.28 +/- 2.69   0.812% *  0.0369% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  99  14.63 +/- 3.24   0.315% *  0.0792% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+  38  11.13 +/- 2.66   0.925% *  0.0224% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 102  15.89 +/- 3.42   0.358% *  0.0566% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QE    LYS+  99  16.46 +/- 2.37   0.188% *  0.0836% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QE    LYS+  38  14.88 +/- 3.61   0.469% *  0.0214% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  19.51 +/- 4.08   0.119% *  0.0540% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  16.70 +/- 1.92   0.168% *  0.0369% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  22.37 +/- 1.93   0.067% *  0.0929% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.45 +/- 1.78   0.111% *  0.0542% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  19.66 +/- 2.66   0.099% *  0.0570% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.41 +/- 2.64   0.203% *  0.0186% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  19.43 +/- 3.11   0.160% *  0.0225% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.54 +/- 3.36   0.100% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  22.40 +/- 3.36   0.098% *  0.0195% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  19.26 +/- 2.34   0.107% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.12 +/- 1.52   0.058% *  0.0146% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.70 +/- 2.49   0.079% *  0.0050% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  27.83 +/- 3.47   0.042% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.68 +/- 0.24  79.646% * 99.1823% (1.00  10.0 10.00   4.26  75.55) =  99.988%  kept
        T HB2   GLU- 100 - HA    LYS+  38   7.19 +/- 2.61   9.197% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PHE   97 - HA    GLU- 100  11.02 +/- 0.60   1.247% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   58 - HA    GLU- 100  24.86 +/- 4.83   0.216% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   32 - HA    GLU- 100  11.13 +/- 3.97   2.553% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    GLU- 100  19.21 +/- 4.72   1.057% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - HA    GLU- 100  25.22 +/- 1.47   0.104% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  19.19 +/- 5.11   2.794% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.75 +/- 1.69   0.761% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  24.46 +/- 3.59   0.147% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.12 +/- 0.63   2.181% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.32 +/- 2.68   0.097% *  0.0059% (0.06   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 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.77 +/- 0.23  80.204% * 99.2716% (1.00  10.0 10.00   4.26  75.55) =  99.990%  kept
        T HB3   GLU- 100 - HA    LYS+  38   7.72 +/- 2.96   8.537% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLN   30 - HA    GLU- 100  14.08 +/- 4.34   1.167% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HA    GLU- 100  15.54 +/- 3.75   0.715% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    GLU- 100  18.26 +/- 2.56   0.340% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  17.14 +/- 5.62   0.838% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.39 +/- 0.94   0.214% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  22.83 +/- 3.51   0.182% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  29.17 +/- 4.67   0.107% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.44 +/- 1.02   1.338% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.68 +/- 1.18   0.135% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  20.78 +/- 4.27   0.289% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.40 +/- 1.47   1.135% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  12.65 +/- 4.63   2.669% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.01 +/- 3.12   0.839% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.87 +/- 2.54   0.103% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.49 +/- 4.04   0.172% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  17.01 +/- 3.30   0.578% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.94 +/- 1.67   0.139% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  29.13 +/- 4.46   0.101% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  25.27 +/- 1.68   0.113% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.89 +/- 3.05   0.085% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.5:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.95 +/- 0.56  71.623% * 99.4988% (1.00  10.0 10.00   4.72  75.55) =  99.982%  kept
        T HG2   GLU- 100 - HA    LYS+  38   7.08 +/- 3.10  15.586% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.013%
          HB3   ASP-  76 - HA    GLU- 100  21.63 +/- 3.97   1.263% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    GLU- 100  13.03 +/- 0.72   1.091% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    GLU- 100  14.42 +/- 0.84   0.782% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    GLU- 100  13.89 +/- 2.05   0.985% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  17.23 +/- 4.23   0.637% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  21.39 +/- 5.08   2.455% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.51 +/- 3.73   0.504% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.20 +/- 1.32   0.122% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.64 +/- 3.66   0.274% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  15.79 +/- 1.27   0.633% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.44 +/- 1.89   0.502% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.59 +/- 1.28   1.322% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.44 +/- 1.03   0.859% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  15.26 +/- 2.66   0.901% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.54 +/- 1.25   0.357% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  28.87 +/- 1.18   0.102% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.68 +/- 0.24  89.137% * 98.6741% (1.00  10.0 10.00   4.26  75.55) =  99.972%  kept
        T HA    LYS+  38 - HB2   GLU- 100   7.19 +/- 2.61  10.289% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.026%
        T HD2   PRO   58 - HB2   GLU- 100  26.06 +/- 4.42   0.171% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   GLU- 100  19.21 +/- 2.80   0.310% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.04 +/- 2.74   0.092% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.5:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.019% * 99.3690% (1.00  10.0 10.00   2.00  75.55) =  99.999%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.30 +/- 3.43   0.207% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.70 +/- 2.80   0.139% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  18.73 +/- 3.20   0.139% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.91 +/- 1.44   0.061% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  23.17 +/- 3.65   0.051% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  17.84 +/- 5.20   0.220% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  30.03 +/- 4.78   0.031% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.56 +/- 0.94   0.037% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  21.63 +/- 3.70   0.067% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  27.46 +/- 2.51   0.029% *  0.0276% (0.28   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 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.91 +/- 0.21  95.492% * 99.5837% (1.00  10.0 10.00   3.24  75.55) =  99.997%  kept
          HB2   ASP- 105 - HB2   GLU- 100  14.60 +/- 1.29   0.813% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB2   GLU- 100  13.91 +/- 0.81   0.912% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   GLU- 100  22.96 +/- 3.69   0.513% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HB2   GLU- 100  14.68 +/- 2.13   0.979% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.28 +/- 3.54   0.495% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  19.32 +/- 3.22   0.455% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.16 +/- 1.27   0.109% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.70 +/- 3.04   0.231% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.5:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.77 +/- 0.23  89.848% * 99.5406% (1.00  10.0 10.00   4.26  75.55) =  99.976%  kept
        T HA    LYS+  38 - HB3   GLU- 100   7.72 +/- 2.96   9.560% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.024%
          HA    VAL   83 - HB3   GLU- 100  19.31 +/- 2.81   0.320% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  26.43 +/- 4.26   0.173% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.41 +/- 2.63   0.099% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.5:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  98.671% * 99.6840% (1.00  10.0 10.00   2.00  75.55) =  99.999%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.61 +/- 0.92   0.366% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.87 +/- 4.15   0.653% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  20.61 +/- 4.47   0.197% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  25.72 +/- 5.21   0.082% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.94 +/- 1.63   0.032% *  0.0977% (0.98   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 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.67 +/- 0.17  96.693% * 99.0882% (1.00  10.0 10.00   3.24  75.55) =  99.996%  kept
        T HB    VAL   70 - HB3   GLU- 100  15.25 +/- 1.95   0.624% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.002%
        T QG    GLN   17 - HB3   GLU- 100  19.77 +/- 3.24   0.308% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB3   GLU- 100  14.71 +/- 1.28   0.630% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   96 - HB3   GLU- 100  14.10 +/- 0.87   0.712% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB3   GLU- 100  23.20 +/- 3.65   0.352% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  18.52 +/- 4.09   0.410% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.37 +/- 1.16   0.084% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.96 +/- 3.60   0.187% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.71, residual support = 75.5:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.95 +/- 0.56  81.266% * 99.5406% (1.00  10.0 10.00   4.72  75.55) =  99.950%  kept
        T HA    LYS+  38 - HG2   GLU- 100   7.08 +/- 3.10  17.673% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.048%
          HD2   PRO   58 - HG2   GLU- 100  25.73 +/- 4.57   0.461% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   83 - HG2   GLU- 100  19.97 +/- 3.18   0.424% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HG2   GLU- 100  28.03 +/- 2.99   0.175% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.91 +/- 0.21  94.014% * 99.6840% (1.00  10.0 10.00   3.24  75.55) =  99.996%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.28 +/- 1.21   1.860% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   32 - HG2   GLU- 100  12.38 +/- 3.44   2.274% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HG2   GLU- 100  20.86 +/- 4.66   1.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   58 - HG2   GLU- 100  24.98 +/- 5.46   0.692% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.36 +/- 2.09   0.156% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.5:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.67 +/- 0.17  96.547% * 98.4783% (1.00  10.0 10.00   3.24  75.55) =  99.993%  kept
        T HB3   PRO   68 - HG2   GLU- 100  18.46 +/- 3.05   0.417% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T QB    GLU-  15 - HG2   GLU- 100  17.59 +/- 5.44   0.772% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB2   GLN   30 - HG2   GLU- 100  15.67 +/- 3.50   0.690% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   17 - HG2   GLU- 100  21.47 +/- 3.90   0.258% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG2   GLU- 100  17.04 +/- 3.25   0.507% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  20.97 +/- 1.84   0.240% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  22.72 +/- 4.11   0.209% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  29.95 +/- 4.75   0.116% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.69 +/- 1.39   0.132% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.31 +/- 3.05   0.111% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00  99.925% * 99.9625% (1.00  10.0 10.00   2.00  15.43) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  20.08 +/- 2.08   0.075% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  97.953% * 99.5312% (1.00  10.0 10.00   2.00  15.43) =  99.998%  kept
          HA    ALA   34 - HA2   GLY  101  11.78 +/- 3.92   1.297% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HA2   GLY  101  14.67 +/- 5.23   0.425% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.68 +/- 5.36   0.126% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.31 +/- 1.99   0.058% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  24.31 +/- 1.76   0.039% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  24.43 +/- 7.96   0.069% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  28.20 +/- 4.16   0.033% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 6.31, residual support = 158.3:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.34 +/- 0.14  86.193% * 90.1273% (1.00  10.0 10.00   6.31 159.83) =  98.847%  kept
          HG12  ILE  103 - HA    LYS+ 102   5.22 +/- 0.62   9.885% *  9.0419% (0.34   1.0  1.00   5.88  23.64) =   1.137%  kept
        T HB    VAL   41 - HA    LYS+ 102   9.14 +/- 2.22   2.617% *  0.4387% (0.49   1.0 10.00   0.02   0.02) =   0.015%
          HB2   LEU   71 - HA    LYS+ 102  14.38 +/- 2.03   0.535% *  0.0870% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HA    LYS+ 102  20.06 +/- 2.28   0.173% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  19.07 +/- 1.87   0.188% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.28 +/- 0.94   0.103% *  0.0832% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  23.28 +/- 3.47   0.112% *  0.0439% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  23.56 +/- 4.76   0.137% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  27.86 +/- 2.66   0.059% *  0.0139% (0.15   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 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   3.21 +/- 0.59  82.432% * 99.3298% (1.00  10.0 10.00   5.75 159.83) =  99.985%  kept
          HG    LEU   40 - HA    LYS+ 102  10.67 +/- 2.10   9.020% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.009%
          HG    LEU   73 - HA    LYS+ 102  16.40 +/- 3.59   1.079% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 102  18.19 +/- 4.23   1.724% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HA    LYS+ 102  17.60 +/- 2.62   0.774% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 102  17.51 +/- 2.23   0.767% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - HA    LYS+ 102  19.31 +/- 1.75   0.513% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.97 +/- 1.92   0.420% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  17.32 +/- 3.58   1.066% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.05 +/- 4.71   0.668% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.59 +/- 1.76   0.497% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  18.92 +/- 3.62   0.603% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  20.38 +/- 1.76   0.436% *  0.0248% (0.25   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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 5.01, residual support = 158.3:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.03 +/- 0.75  54.641% * 94.7352% (1.00  10.0 10.00   5.05 159.83) =  99.041%  kept
          QB    LEU   98 - HA    LYS+ 102   4.71 +/- 0.66  22.355% *  2.0710% (0.34   1.0  1.00   1.28   2.15) =   0.886%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.88 +/- 1.20   2.334% *  0.8962% (0.95   1.0 10.00   0.02   0.02) =   0.040%
        T HG3   LYS+  33 - HA    LYS+ 102  15.79 +/- 4.20   0.929% *  0.8962% (0.95   1.0 10.00   0.02   0.02) =   0.016%
          HG    LEU   98 - HA    LYS+ 102   5.47 +/- 1.06  14.869% *  0.0263% (0.28   1.0  1.00   0.02   2.15) =   0.007%
          HB    VAL   42 - HA    LYS+ 102  11.59 +/- 1.69   2.312% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+  65 - HA    LYS+ 102  23.25 +/- 2.10   0.157% *  0.9286% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB3   LEU   73 - HA    LYS+ 102  17.00 +/- 3.31   0.623% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    LYS+ 102  15.63 +/- 2.52   0.647% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  23.33 +/- 1.65   0.155% *  0.0939% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.24 +/- 4.61   0.171% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.22 +/- 1.45   0.223% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  20.78 +/- 6.22   0.311% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.84 +/- 2.61   0.272% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.8:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.47 +/- 0.70  76.832% * 98.2489% (1.00 10.00   5.05 159.83) =  99.982%  kept
          QD    LYS+  38 - HA    LYS+ 102  11.58 +/- 2.91   4.591% *  0.0787% (0.80  1.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HA    LYS+ 102  21.71 +/- 2.39   0.426% *  0.5562% (0.57 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 111 - HA    LYS+ 102  25.10 +/- 2.29   0.274% *  0.6749% (0.69 10.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - HA    LYS+ 102   8.67 +/- 0.84   7.261% *  0.0219% (0.22  1.00   0.02   1.62) =   0.002%
          HB    VAL   83 - HA    LYS+ 102  15.44 +/- 3.98   2.255% *  0.0636% (0.65  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HA    LYS+ 102   9.77 +/- 1.56   5.477% *  0.0245% (0.25  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LYS+ 102  18.54 +/- 5.87   0.983% *  0.0517% (0.53  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 102  23.03 +/- 5.34   0.460% *  0.0907% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 102  17.55 +/- 2.89   0.785% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  23.12 +/- 1.11   0.317% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  22.68 +/- 1.34   0.340% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.04, residual support = 159.6:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.51 +/- 0.46  84.671% * 98.4155% (1.00 10.00   5.05 159.83) =  99.849%  kept
        T QE    LYS+  38 - HA    LYS+ 102  12.22 +/- 2.98   9.454% *  0.9085% (0.92 10.00   0.02   0.02) =   0.103%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.08 +/- 0.80   5.875% *  0.6760% (0.69 10.00   0.02   1.62) =   0.048%
    Distance limit 3.60 A violated in 0 structures by 0.10 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   2.34 +/- 0.14  94.261% * 99.1785% (1.00  10.0 10.00   6.31 159.83) =  99.985%  kept
        T HA    LYS+ 102 - HB    VAL   41   9.14 +/- 2.22   2.875% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.014%
          HA    CYS   21 - HB    VAL   41  13.67 +/- 3.07   0.893% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.18 +/- 3.18   0.191% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.50 +/- 0.93   0.172% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.20 +/- 3.03   0.863% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  26.24 +/- 2.42   0.075% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.96 +/- 2.52   0.196% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.78 +/- 2.27   0.086% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  23.12 +/- 2.27   0.126% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  21.41 +/- 1.43   0.133% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  21.64 +/- 1.71   0.129% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 0.995, support = 5.3, residual support = 158.9:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.35 +/- 0.14  71.251% * 90.1304% (1.00  10.0 10.00   5.31 159.83) =  99.356%  kept
          HG    LEU   40 - HB    VAL   41   6.04 +/- 0.95   5.469% *  6.1545% (0.36   1.0  1.00   3.80  20.19) =   0.521%  kept
          HG    LEU   73 - HB    VAL   41   9.23 +/- 3.04   9.438% *  0.6736% (0.44   1.0  1.00   0.34   0.02) =   0.098%
        T HG2   LYS+ 102 - HB    VAL   41  11.10 +/- 2.52   1.301% *  0.4050% (0.45   1.0 10.00   0.02   0.02) =   0.008%
        T HG    LEU   67 - HB    VAL   41  11.35 +/- 2.37   0.932% *  0.2782% (0.31   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   40 - QB    LYS+ 102  10.34 +/- 2.18   2.343% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HG    LEU   67 - QB    LYS+ 102  16.63 +/- 2.82   0.273% *  0.6191% (0.69   1.0 10.00   0.02   0.02) =   0.003%
        T QG    LYS+  66 - QB    LYS+ 102  18.50 +/- 2.06   0.177% *  0.7818% (0.87   1.0 10.00   0.02   0.02) =   0.002%
        T QG    LYS+  66 - HB    VAL   41  14.51 +/- 2.00   0.392% *  0.3513% (0.39   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QB    LYS+ 102  15.91 +/- 3.15   0.348% *  0.0883% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  10.73 +/- 2.08   1.048% *  0.0278% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  17.04 +/- 3.87   0.561% *  0.0474% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  12.96 +/- 2.64   0.924% *  0.0213% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  12.23 +/- 3.15   1.374% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  16.55 +/- 2.46   0.279% *  0.0619% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  11.17 +/- 4.60   1.697% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.84 +/- 1.73   0.176% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  16.89 +/- 3.02   0.297% *  0.0307% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  16.26 +/- 2.00   0.258% *  0.0324% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.06 +/- 4.28   0.253% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  17.04 +/- 3.48   0.246% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.75 +/- 1.65   0.197% *  0.0278% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.78 +/- 1.73   0.157% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  17.71 +/- 3.08   0.219% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  17.27 +/- 1.85   0.215% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  18.60 +/- 1.81   0.172% *  0.0125% (0.14   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 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.915, support = 4.61, residual support = 144.6:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.39 +/- 0.17  41.529% * 58.8200% (1.00  10.0 10.00   4.75 159.83) =  88.770%  kept
        T QB    LEU   98 - HB    VAL   41   4.47 +/- 1.99  22.612% *  9.0153% (0.15   1.0 10.00   3.45  24.06) =   7.408%  kept
        T HB    VAL   42 - HB    VAL   41   5.76 +/- 0.63   3.366% * 25.9062% (0.44   1.0 10.00   4.14  28.54) =   3.169%  kept
          QB    LEU   98 - QB    LYS+ 102   5.38 +/- 0.91   7.855% *  1.4260% (0.34   1.0  1.00   1.42   2.15) =   0.407%  kept
          HG    LEU   98 - HB    VAL   41   5.66 +/- 1.76  11.083% *  0.4480% (0.12   1.0  1.00   1.22  24.06) =   0.180%  kept
        T HG3   LYS+ 106 - QB    LYS+ 102   9.12 +/- 0.94   0.834% *  0.5564% (0.95   1.0 10.00   0.02   0.02) =   0.017%
        T HB    VAL   42 - QB    LYS+ 102  11.43 +/- 1.86   0.545% *  0.5766% (0.98   1.0 10.00   0.02   0.02) =   0.011%
        T HG3   LYS+  33 - HB    VAL   41   9.74 +/- 2.60   0.996% *  0.2500% (0.43   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+  33 - QB    LYS+ 102  15.11 +/- 3.88   0.312% *  0.5564% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 102 - HB    VAL   41  11.26 +/- 2.48   0.633% *  0.2643% (0.45   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+ 106 - HB    VAL   41  11.63 +/- 2.11   0.479% *  0.2500% (0.43   1.0 10.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QB    LYS+ 102   6.12 +/- 1.28   4.642% *  0.0164% (0.28   1.0  1.00   0.02   2.15) =   0.003%
        T HG3   LYS+  65 - HB    VAL   41  16.30 +/- 1.73   0.172% *  0.2591% (0.44   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HB    VAL   41   9.71 +/- 2.81   1.625% *  0.0264% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+  65 - QB    LYS+ 102  21.74 +/- 2.10   0.064% *  0.5766% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QB    LYS+ 102  21.47 +/- 1.40   0.063% *  0.5830% (0.99   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HB    VAL   41  20.08 +/- 2.83   0.111% *  0.2620% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 102  16.43 +/- 3.03   0.178% *  0.0587% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.09 +/- 2.83   1.397% *  0.0041% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  14.91 +/- 2.33   0.206% *  0.0221% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  13.47 +/- 2.13   0.425% *  0.0099% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.33 +/- 4.38   0.168% *  0.0160% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.41 +/- 4.03   0.068% *  0.0357% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  18.63 +/- 5.85   0.172% *  0.0116% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.84 +/- 1.27   0.075% *  0.0242% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.48 +/- 2.13   0.123% *  0.0109% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.00 +/- 2.41   0.107% *  0.0091% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  19.52 +/- 5.15   0.161% *  0.0052% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 159.7:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.26 +/- 0.25  79.734% * 94.6216% (1.00  10.0 10.00   4.75 159.83) =  99.950%  kept
        T QD    LYS+  38 - QB    LYS+ 102  10.56 +/- 2.53   1.737% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.017%
        T QD    LYS+ 102 - HB    VAL   41  10.69 +/- 2.57   2.941% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.017%
        T QD    LYS+  38 - HB    VAL   41  10.42 +/- 1.61   1.274% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   PRO   93 - QB    LYS+ 102  21.50 +/- 1.02   0.109% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QB    LYS+ 102  20.28 +/- 2.32   0.151% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB    VAL   41  15.46 +/- 1.72   0.308% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU  123 - HB    VAL   41  21.00 +/- 4.66   0.180% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HB    VAL   41  19.61 +/- 1.95   0.166% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QB    LYS+ 102  22.84 +/- 2.08   0.097% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QB    LYS+ 102   7.77 +/- 1.24   2.388% *  0.0211% (0.22   1.0  1.00   0.02   1.62) =   0.001%
          HB2   LEU   73 - HB    VAL   41  10.19 +/- 2.46   2.346% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QB    LYS+ 102   8.87 +/- 1.19   1.685% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HB    VAL   41  12.41 +/- 2.88   1.193% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  15.09 +/- 3.69   0.502% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.51 +/- 2.77   0.095% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.50 +/- 2.17   2.682% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  16.77 +/- 5.50   0.361% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  20.78 +/- 5.07   0.171% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  16.94 +/- 2.77   0.298% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.94 +/- 2.09   0.923% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  17.19 +/- 4.57   0.394% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  21.18 +/- 1.27   0.119% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.47 +/- 1.09   0.149% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.7, residual support = 157.7:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.59 +/- 0.46  82.399% * 83.8908% (1.00 10.00   4.75 159.83) =  98.690%  kept
        T QE    LYS+  99 - HB    VAL   41   7.77 +/- 2.06   6.120% * 14.0336% (0.31 10.00   1.08   0.02) =   1.226%  kept
        T QE    LYS+  99 - QB    LYS+ 102   8.37 +/- 0.98   3.944% *  0.5763% (0.69 10.00   0.02   1.62) =   0.032%
        T QE    LYS+  38 - QB    LYS+ 102  11.11 +/- 2.71   2.099% *  0.7744% (0.92 10.00   0.02   0.02) =   0.023%
        T QE    LYS+ 102 - HB    VAL   41  10.54 +/- 2.65   2.673% *  0.3769% (0.45 10.00   0.02   0.02) =   0.014%
        T QE    LYS+  38 - HB    VAL   41  10.92 +/- 1.71   2.765% *  0.3480% (0.41 10.00   0.02   0.02) =   0.014%
    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   3.21 +/- 0.59  98.438% * 99.7392% (1.00  10.0 10.00   5.75 159.83) =  99.999%  kept
          HA    CYS   21 - HG2   LYS+ 102  23.20 +/- 3.99   0.386% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.47 +/- 1.52   0.382% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  29.98 +/- 2.97   0.157% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.37 +/- 3.00   0.206% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.00 +/- 3.17   0.431% *  0.0197% (0.20   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 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 5.3, residual support = 157.7:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.35 +/- 0.14  81.090% * 91.7067% (1.00  10.0 10.00   5.31 159.83) =  98.470%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.00 +/- 1.63  16.689% *  6.8810% (0.34   1.0  1.00   4.40  23.64) =   1.521%  kept
        T HB    VAL   41 - HG2   LYS+ 102  11.10 +/- 2.52   1.284% *  0.4464% (0.49   1.0 10.00   0.02   0.02) =   0.008%
        T QB    LYS+  66 - HG2   LYS+ 102  20.40 +/- 2.00   0.141% *  0.6299% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+ 102  15.93 +/- 2.09   0.333% *  0.0885% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.59 +/- 2.42   0.130% *  0.0899% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.86 +/- 1.60   0.083% *  0.0847% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  24.81 +/- 3.51   0.085% *  0.0446% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  24.40 +/- 5.09   0.117% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.26 +/- 2.57   0.049% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.8:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  93.805% * 96.7067% (1.00  10.0 10.00   4.42 159.83) =  99.989%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.86 +/- 1.93   0.594% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.33 +/- 4.55   0.222% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.002%
          QB    LEU   98 - HG2   LYS+ 102   6.62 +/- 1.12   2.514% *  0.0330% (0.34   1.0  1.00   0.02   2.15) =   0.001%
          HG    LEU   98 - HG2   LYS+ 102   7.34 +/- 1.26   2.015% *  0.0269% (0.28   1.0  1.00   0.02   2.15) =   0.001%
        T HG3   LYS+  65 - HG2   LYS+ 102  24.94 +/- 2.21   0.036% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  13.44 +/- 2.00   0.296% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.02 +/- 3.67   0.111% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  17.20 +/- 2.85   0.132% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  24.64 +/- 2.42   0.039% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.45 +/- 4.62   0.040% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.90 +/- 2.02   0.046% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  21.15 +/- 6.43   0.091% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.87 +/- 2.88   0.059% *  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   2.23 +/- 0.11  93.882% * 98.2489% (1.00  10.0 10.00   4.42 159.83) =  99.996%  kept
          QD    LYS+  38 - HG2   LYS+ 102  11.91 +/- 3.16   1.606% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 102  23.24 +/- 2.57   0.099% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG2   LYS+ 102  26.11 +/- 3.15   0.072% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HG2   LYS+ 102   9.15 +/- 1.28   1.802% *  0.0219% (0.22   1.0  1.00   0.02   1.62) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  17.59 +/- 4.36   0.614% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  10.51 +/- 1.68   1.240% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  19.35 +/- 5.96   0.234% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  23.78 +/- 5.57   0.107% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  19.60 +/- 3.31   0.192% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.78 +/- 1.70   0.074% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  24.38 +/- 1.94   0.079% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.6:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.14 +/- 0.36  83.441% * 98.4155% (1.00  10.0 10.00   4.42 159.83) =  99.827%  kept
        T QE    LYS+  38 - HG2   LYS+ 102  12.57 +/- 3.41  13.232% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.146%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.70 +/- 0.96   3.327% *  0.6760% (0.69   1.0 10.00   0.02   1.62) =   0.027%
    Distance limit 4.81 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   3.03 +/- 0.75  74.701% * 97.9004% (1.00  10.0 10.00   5.05 159.83) =  99.970%  kept
        T HA    LYS+ 102 - HG3   LYS+  33  15.79 +/- 4.20   1.423% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.009%
        T HA    LYS+ 102 - HG3   LYS+ 106   9.88 +/- 1.20   3.728% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.009%
          HA    TRP   49 - HG3   LYS+  65  17.21 +/- 6.87   4.635% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+ 102 - HG3   LYS+  65  23.25 +/- 2.10   0.244% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    CYS   50 - HG3   LYS+  65  15.64 +/- 5.31   3.482% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    CYS   21 - HG3   LYS+  33  11.37 +/- 1.71   2.026% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - HG3   LYS+  65  14.88 +/- 2.89   1.104% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   20 - HG3   LYS+  65  11.92 +/- 2.56   2.246% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.26 +/- 3.43   0.280% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.14 +/- 1.39   0.300% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  12.42 +/- 1.39   1.425% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.23 +/- 0.50   1.574% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  22.50 +/- 3.30   0.318% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  29.75 +/- 2.63   0.139% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.17 +/- 2.64   0.160% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  21.50 +/- 1.80   0.333% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  22.53 +/- 2.90   0.404% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.09 +/- 2.77   0.241% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  27.25 +/- 3.30   0.143% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  20.46 +/- 2.29   0.476% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  26.32 +/- 2.02   0.152% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  29.32 +/- 1.59   0.117% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  20.26 +/- 1.64   0.347% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.902, support = 5.21, residual support = 156.8:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.39 +/- 0.17  37.092% * 49.7320% (1.00  10.0 10.00   4.75 159.83) =  53.926%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.36 +/- 0.13  38.359% * 39.6702% (0.80  10.0  1.00   5.83 157.75) =  44.484%  kept
          QB    LYS+  66 - HG3   LYS+  65   5.16 +/- 1.20   7.863% *  5.4757% (0.56   1.0  1.00   3.94  30.87) =   1.259%  kept
          HG12  ILE  103 - HG3   LYS+ 102   6.74 +/- 1.17   3.274% *  3.2792% (0.34   1.0  1.00   3.87  23.64) =   0.314%  kept
        T HB    VAL   41 - HG3   LYS+ 102  11.26 +/- 2.48   0.576% *  0.2421% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   41 - HG3   LYS+  33   9.74 +/- 2.60   0.865% *  0.1202% (0.24   1.0 10.00   0.02   0.02) =   0.003%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.12 +/- 0.94   0.729% *  0.0906% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+ 102 - HG3   LYS+  33  15.11 +/- 3.88   0.267% *  0.2470% (0.50   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - HG3   LYS+  65   9.96 +/- 3.82   2.315% *  0.0197% (0.40   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+  65  16.30 +/- 1.73   0.135% *  0.1970% (0.40   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   LYS+  65  21.74 +/- 2.10   0.054% *  0.4047% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   LYS+ 106  11.63 +/- 2.11   0.477% *  0.0441% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG3   LYS+  33  10.21 +/- 3.35   0.881% *  0.0238% (0.48   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG3   LYS+ 106   6.14 +/- 1.95   3.823% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.99 +/- 1.80   0.283% *  0.0391% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  16.14 +/- 2.41   0.171% *  0.0480% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.33 +/- 4.64   0.187% *  0.0374% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  16.29 +/- 2.00   0.172% *  0.0242% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  13.71 +/- 2.55   0.245% *  0.0120% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.70 +/- 2.38   0.057% *  0.0487% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  15.29 +/- 3.71   0.297% *  0.0087% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  16.98 +/- 2.00   0.153% *  0.0170% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  20.55 +/- 2.16   0.066% *  0.0342% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.59 +/- 1.10   0.039% *  0.0459% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.43 +/- 1.41   0.192% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  15.67 +/- 3.10   0.234% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.29 +/- 3.01   0.160% *  0.0084% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  20.17 +/- 2.66   0.077% *  0.0138% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.24 +/- 2.11   0.120% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  25.16 +/- 3.49   0.038% *  0.0242% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  16.46 +/- 2.10   0.141% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  18.25 +/- 3.53   0.132% *  0.0062% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.81 +/- 6.11   0.192% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.99 +/- 2.08   0.030% *  0.0228% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  24.51 +/- 5.23   0.053% *  0.0077% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  23.30 +/- 2.48   0.045% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  29.11 +/- 2.48   0.022% *  0.0077% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  19.07 +/- 3.60   0.090% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  20.60 +/- 3.12   0.072% *  0.0014% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.98 +/- 2.77   0.024% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 0.993, support = 4.41, residual support = 156.8:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  68.894% * 85.0775% (1.00  10.0 10.00   4.42 159.83) =  97.632%  kept
          QG    LYS+  66 - HG3   LYS+  65   5.61 +/- 1.73  11.513% * 12.2817% (0.71   1.0  1.00   4.09  30.87) =   2.355%  kept
          QB    ALA   61 - HG3   LYS+  65   5.57 +/- 1.94   9.851% *  0.0364% (0.43   1.0  1.00   0.02   0.02) =   0.006%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.33 +/- 4.55   0.165% *  0.4226% (0.50   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.86 +/- 1.93   0.443% *  0.1550% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HG3   LYS+  65   8.22 +/- 1.40   0.940% *  0.0476% (0.56   1.0  1.00   0.02   0.45) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   8.09 +/- 1.02   0.811% *  0.0476% (0.56   1.0  1.00   0.02   0.45) =   0.001%
          HG    LEU   40 - HG3   LYS+ 102  12.40 +/- 2.42   0.387% *  0.0681% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33  10.62 +/- 3.45   0.519% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  24.94 +/- 2.21   0.026% *  0.6924% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  13.50 +/- 1.71   0.200% *  0.0679% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  13.98 +/- 2.15   0.184% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.82 +/- 2.83   0.901% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.14 +/- 1.82   0.251% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.39 +/- 1.49   0.141% *  0.0554% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  18.41 +/- 3.42   0.088% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  19.66 +/- 4.27   0.152% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.47 +/- 2.59   0.335% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.59 +/- 2.13   0.160% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  11.45 +/- 1.82   0.345% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  19.34 +/- 3.13   0.068% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.66 +/- 2.28   0.317% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.12 +/- 2.12   0.134% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  19.33 +/- 2.72   0.066% *  0.0584% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  17.36 +/- 1.88   0.092% *  0.0367% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.41 +/- 2.30   0.188% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  20.53 +/- 2.00   0.048% *  0.0681% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.42 +/- 2.22   0.042% *  0.0738% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.63 +/- 2.41   0.169% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  15.97 +/- 2.15   0.118% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  19.27 +/- 3.49   0.083% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  14.85 +/- 3.24   0.275% *  0.0082% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  17.72 +/- 3.17   0.101% *  0.0214% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  17.85 +/- 3.17   0.091% *  0.0236% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  15.92 +/- 4.28   0.126% *  0.0144% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  16.29 +/- 3.16   0.156% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  16.06 +/- 1.87   0.105% *  0.0152% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  19.54 +/- 3.83   0.067% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.11 +/- 2.07   0.053% *  0.0263% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.92 +/- 1.44   0.288% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.05 +/- 4.58   0.060% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  17.52 +/- 2.50   0.093% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.19 +/- 2.94   0.117% *  0.0106% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.67 +/- 4.43   0.117% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  23.34 +/- 2.09   0.032% *  0.0338% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.59 +/- 1.95   0.233% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  21.58 +/- 2.21   0.041% *  0.0212% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  14.10 +/- 3.14   0.181% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  16.54 +/- 3.15   0.121% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  24.88 +/- 1.76   0.025% *  0.0130% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  24.11 +/- 2.27   0.030% *  0.0105% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.97 +/- 2.62   0.054% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.38, 1.38, 25.01 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 102 - HG3   LYS+ 102  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.80)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.47)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.17)  kept
 
    Peak 1236 (1.68, 1.38, 25.01 ppm):
    48 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 158.3:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.46 +/- 0.12  28.734% * 63.6907% (1.00  10.0 10.00   4.00 159.83) =  65.739%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.45 +/- 0.13  29.244% * 29.3443% (0.46  10.0 10.00   4.34 157.75) =  30.826%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.35 +/- 0.16  32.837% *  2.8935% (0.05  10.0  1.00   4.62 134.30) =   3.413%  kept
        T QD    LYS+ 102 - HG3   LYS+  33  16.16 +/- 4.59   0.456% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 102 - HG3   LYS+ 106   9.67 +/- 2.04   0.812% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LEU   73 - HG3   LYS+  65  12.53 +/- 1.94   0.279% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   73 - HG3   LYS+  33  11.73 +/- 3.21   0.413% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  38 - HG3   LYS+ 102  12.37 +/- 3.20   0.598% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HG3   LYS+  65  21.27 +/- 3.89   0.085% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+  33  17.01 +/- 2.14   0.121% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG3   LYS+  65  22.82 +/- 2.10   0.039% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   73 - HG3   LYS+ 102  19.60 +/- 2.79   0.070% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 102  23.37 +/- 2.56   0.038% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.94 +/- 2.87   0.029% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  16.03 +/- 2.33   0.149% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.41 +/- 1.10   0.420% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  16.80 +/- 4.76   0.204% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   9.61 +/- 1.08   0.574% *  0.0142% (0.22   1.0  1.00   0.02   1.62) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.13 +/- 1.68   0.511% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  17.20 +/- 4.04   0.186% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.36 +/- 3.06   0.268% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  16.75 +/- 3.12   0.147% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  18.34 +/- 5.32   0.227% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  16.60 +/- 2.09   0.107% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.17 +/- 2.24   0.071% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  26.11 +/- 6.42   0.157% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.55 +/- 3.53   0.018% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  13.31 +/- 5.68   0.647% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  19.77 +/- 3.06   0.087% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  19.40 +/- 6.07   0.102% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  23.89 +/- 5.67   0.047% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  20.12 +/- 3.05   0.065% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  14.42 +/- 3.23   0.280% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.63 +/- 3.90   0.101% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.78 +/- 2.00   0.785% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.52 +/- 1.13   0.029% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  23.75 +/- 4.94   0.091% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.59 +/- 2.14   0.211% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  15.55 +/- 1.45   0.122% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  24.03 +/- 1.41   0.031% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.75 +/- 2.74   0.093% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.11 +/- 2.23   0.110% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  18.56 +/- 4.22   0.095% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.47 +/- 2.27   0.067% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  15.49 +/- 1.78   0.128% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  26.03 +/- 2.23   0.026% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.51 +/- 2.18   0.063% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.07 +/- 1.57   0.025% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 3.99, residual support = 159.6:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.36 +/- 0.36  79.519% * 94.7812% (1.00  10.0 10.00   4.00 159.83) =  99.872%  kept
        T QE    LYS+  38 - HG3   LYS+ 102  13.01 +/- 3.41   6.333% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.073%
        T QE    LYS+ 102 - HG3   LYS+  33  16.05 +/- 4.52   2.098% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.013%
        T QE    LYS+  99 - HG3   LYS+ 102  10.16 +/- 1.02   1.228% *  0.6511% (0.69   1.0 10.00   0.02   1.62) =   0.011%
        T QE    LYS+  99 - HG3   LYS+ 106  11.17 +/- 2.46   4.906% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.008%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.33 +/- 1.99   3.219% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  38 - HG3   LYS+  33  10.90 +/- 1.13   0.993% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.006%
        T QE    LYS+  99 - HG3   LYS+  33  12.70 +/- 1.92   0.755% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+  38 - HG3   LYS+  65  19.64 +/- 3.33   0.247% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  99 - HG3   LYS+  65  16.75 +/- 2.51   0.288% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  65  22.70 +/- 2.35   0.146% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - HG3   LYS+ 106  17.47 +/- 2.12   0.268% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.7:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.47 +/- 0.70  59.501% * 98.9625% (1.00 10.00   5.05 159.83) =  99.947%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.32 +/- 2.19  17.538% *  0.1493% (0.13  1.00   0.24   0.02) =   0.044%
        T HA    LYS+ 102 - QD    LYS+  65  21.71 +/- 2.39   0.329% *  0.2501% (0.25 10.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+  65  13.35 +/- 2.52   3.404% *  0.0209% (0.21  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - QD    LYS+  65  15.60 +/- 6.07   3.489% *  0.0162% (0.16  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - HD2   LYS+ 111  25.10 +/- 2.29   0.195% *  0.2587% (0.26 10.00   0.02   0.02) =   0.001%
          HA    CYS   50 - QD    LYS+  65  14.31 +/- 4.50   4.334% *  0.0112% (0.11  1.00   0.02   0.02) =   0.001%
          HA    TRP   49 - HD2   LYS+ 111  17.60 +/- 4.87   1.957% *  0.0167% (0.17  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QD    LYS+ 102  21.12 +/- 3.87   0.372% *  0.0827% (0.84  1.00   0.02   0.02) =   0.001%
          HA    CYS   50 - HD2   LYS+ 111  15.38 +/- 4.39   2.123% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  10.68 +/- 2.11   4.684% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.84 +/- 1.93   0.379% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  26.97 +/- 2.79   0.157% *  0.0640% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.58 +/- 2.98   0.184% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  20.98 +/- 3.15   0.413% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  21.01 +/- 2.98   0.430% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.21 +/- 3.98   0.215% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  24.90 +/- 3.89   0.297% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.825, support = 4.84, residual support = 155.7:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.26 +/- 0.25  30.855% * 70.6931% (1.00  10.0 10.00   4.75 159.83) =  76.696%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.19 +/- 0.15  33.400% * 17.5142% (0.25  10.0 10.00   5.34 157.75) =  20.569%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.58 +/- 1.57   8.003% *  4.7022% (0.34   1.0  1.00   3.90  23.64) =   1.323%  kept
          QB    LYS+  66 - QD    LYS+  65   5.01 +/- 1.21  10.887% *  2.7367% (0.17   1.0  1.00   4.46  30.87) =   1.048%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.28 +/- 4.04   7.152% *  1.3670% (0.24   1.0 10.00   0.16   0.02) =   0.344%  kept
        T HB    VAL   41 - QD    LYS+ 102  10.69 +/- 2.57   1.084% *  0.3441% (0.49   1.0 10.00   0.02   0.02) =   0.013%
        T QB    LYS+  65 - QD    LYS+ 102  19.77 +/- 2.35   0.061% *  0.6929% (0.98   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+ 102  21.27 +/- 1.68   0.043% *  0.6526% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   PRO   93 - QD    LYS+  65  16.33 +/- 4.02   0.157% *  0.1649% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QD    LYS+ 102  14.96 +/- 2.59   0.282% *  0.0682% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QD    LYS+  65   8.72 +/- 3.14   1.751% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - HD2   LYS+ 111  18.47 +/- 3.06   0.082% *  0.1812% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HD2   LYS+ 111  12.67 +/- 5.44   4.911% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  15.46 +/- 1.72   0.110% *  0.0870% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.28 +/- 2.32   0.052% *  0.1787% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  22.84 +/- 2.08   0.034% *  0.1848% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  22.29 +/- 4.47   0.048% *  0.1091% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  14.29 +/- 2.59   0.167% *  0.0276% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.10 +/- 1.44   0.179% *  0.0172% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.77 +/- 1.90   0.063% *  0.0486% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.51 +/- 2.77   0.032% *  0.0900% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  18.19 +/- 3.56   0.182% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  19.57 +/- 1.87   0.058% *  0.0285% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.81 +/- 3.45   0.046% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  23.90 +/- 5.88   0.054% *  0.0178% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  18.98 +/- 2.95   0.080% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  16.56 +/- 3.41   0.128% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.60 +/- 2.57   0.049% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  26.37 +/- 2.42   0.023% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.64 +/- 3.95   0.027% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 0.992, support = 4.41, residual support = 158.4:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.23 +/- 0.11  50.023% * 92.7980% (1.00  10.0 10.00   4.42 159.83) =  98.977%  kept
          QG    LYS+  66 - QD    LYS+  65   5.31 +/- 1.35   7.048% *  4.6635% (0.22   1.0  1.00   4.58  30.87) =   0.701%  kept
          QB    ALA  110 - HD2   LYS+ 111   4.68 +/- 1.22  12.813% *  1.1411% (0.08   1.0  1.00   3.05   9.12) =   0.312%  kept
          QB    ALA   61 - QD    LYS+  65   4.93 +/- 1.81  18.430% *  0.0123% (0.13   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   40 - QD    LYS+ 102  11.71 +/- 2.02   0.675% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    LYS+  65   8.17 +/- 1.79   1.830% *  0.0161% (0.17   1.0  1.00   0.02   0.45) =   0.001%
          HG    LEU   73 - QD    LYS+ 102  16.83 +/- 3.79   0.244% *  0.0910% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.12 +/- 1.01   1.197% *  0.0161% (0.17   1.0  1.00   0.02   0.45) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  19.05 +/- 4.01   0.787% *  0.0210% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  17.92 +/- 4.07   0.273% *  0.0488% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.24 +/- 2.57   0.053% *  0.2346% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111  10.59 +/- 1.42   0.579% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  26.11 +/- 3.15   0.039% *  0.2426% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.71 +/- 2.70   0.142% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  17.72 +/- 2.51   0.140% *  0.0637% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  12.54 +/- 1.36   0.323% *  0.0230% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.53 +/- 1.93   0.089% *  0.0805% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.32 +/- 2.06   0.381% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  18.67 +/- 2.08   0.093% *  0.0743% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  13.74 +/- 1.94   0.301% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.25 +/- 2.09   0.957% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.50 +/- 1.45   0.829% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  17.64 +/- 3.35   0.156% *  0.0317% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.15 +/- 4.69   0.161% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.09 +/- 2.34   0.123% *  0.0286% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.68 +/- 5.69   0.147% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  21.63 +/- 4.48   0.182% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  17.75 +/- 3.43   0.126% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  21.68 +/- 3.86   0.161% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.60 +/- 1.89   0.185% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.66 +/- 2.22   0.371% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  19.59 +/- 2.13   0.081% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.81 +/- 3.35   0.087% *  0.0194% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.46 +/- 1.92   0.286% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  13.91 +/- 1.48   0.245% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  16.59 +/- 2.88   0.165% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  16.59 +/- 2.84   0.180% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  23.68 +/- 3.21   0.059% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.60 +/- 3.62   0.040% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.847, support = 4.07, residual support = 159.1:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.46 +/- 0.12  40.197% * 72.7002% (1.00  10.0 10.00   4.00 159.83) =  79.700%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.45 +/- 0.13  40.797% * 18.0114% (0.25  10.0 10.00   4.34 157.75) =  20.040%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   7.79 +/- 1.04   1.678% *  4.4709% (0.26   1.0  1.00   4.75  28.63) =   0.205%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.67 +/- 2.04   1.131% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.021%
        T HG3   LYS+  33 - QD    LYS+ 102  16.16 +/- 4.59   0.624% *  0.6877% (0.95   1.0 10.00   0.02   0.02) =   0.012%
        T HB3   PRO   93 - HD2   LYS+ 111  10.36 +/- 3.57   3.660% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.008%
        T HB3   LEU   73 - QD    LYS+ 102  17.44 +/- 3.61   0.188% *  0.7254% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          QB    LEU   98 - QD    LYS+ 102   6.56 +/- 1.01   2.600% *  0.0248% (0.34   1.0  1.00   0.02   2.15) =   0.002%
        T HG3   LYS+  65 - QD    LYS+ 102  22.82 +/- 2.10   0.055% *  0.7126% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   7.55 +/- 1.33   1.918% *  0.0202% (0.28   1.0  1.00   0.02   2.15) =   0.001%
        T HG3   LYS+ 106 - HD2   LYS+ 111  16.03 +/- 2.33   0.211% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD    LYS+ 102  12.61 +/- 2.10   0.444% *  0.0713% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  33 - QD    LYS+  65  17.01 +/- 2.14   0.173% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU   73 - HD2   LYS+ 111  22.34 +/- 5.58   0.133% *  0.1896% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - HD2   LYS+ 111  21.27 +/- 3.89   0.125% *  0.1863% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+  65  19.17 +/- 2.24   0.103% *  0.1738% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.37 +/- 2.56   0.055% *  0.1838% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.61 +/- 3.58   0.897% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.94 +/- 2.87   0.041% *  0.1901% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  11.85 +/- 1.62   0.425% *  0.0183% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  14.58 +/- 3.01   0.389% *  0.0182% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.40 +/- 1.61   0.390% *  0.0180% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.31 +/- 2.61   0.202% *  0.0273% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.55 +/- 3.53   0.026% *  0.1798% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  22.16 +/- 1.98   0.060% *  0.0721% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.52 +/- 3.81   0.424% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65   9.85 +/- 2.48   1.100% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.25 +/- 4.31   0.060% *  0.0441% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  19.54 +/- 3.47   0.128% *  0.0186% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.52 +/- 1.90   0.075% *  0.0299% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  19.40 +/- 5.68   0.137% *  0.0144% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.79 +/- 3.20   0.242% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  15.84 +/- 2.30   0.215% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.97 +/- 2.93   0.362% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.09 +/- 2.87   0.152% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.00 +/- 2.76   0.088% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.28 +/- 2.86   0.171% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.37 +/- 2.01   0.096% *  0.0065% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.37 +/- 2.85   0.068% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  30.52 +/- 4.17   0.027% *  0.0115% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  21.12 +/- 1.74   0.069% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.32 +/- 3.03   0.066% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 159.5:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.03  82.977% * 97.1326% (1.00  10.0 10.00   4.00 159.83) =  99.821%  kept
        T QE    LYS+  38 - QD    LYS+ 102  12.01 +/- 3.55  15.190% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.169%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.70 +/- 1.01   0.955% *  0.6672% (0.69   1.0 10.00   0.02   1.62) =   0.008%
        T QE    LYS+  38 - QD    LYS+  65  18.18 +/- 2.97   0.264% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - QD    LYS+  65  15.80 +/- 2.46   0.280% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+  65  21.15 +/- 2.58   0.101% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  23.04 +/- 2.99   0.079% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  22.06 +/- 3.12   0.108% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  28.24 +/- 3.55   0.045% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 5.05, residual support = 159.7:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.51 +/- 0.46  78.894% * 98.6090% (1.00 10.00   5.05 159.83) =  99.924%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.08 +/- 0.80   5.473% *  0.6725% (0.68 10.00   0.02   1.62) =   0.047%
        T HA    LYS+ 102 - QE    LYS+  38  12.22 +/- 2.98   8.806% *  0.2257% (0.23 10.00   0.02   0.02) =   0.026%
          HA    CYS   21 - QE    LYS+ 102  20.77 +/- 3.42   0.519% *  0.0824% (0.84  1.00   0.02   0.02) =   0.001%
          HA    CYS   21 - QE    LYS+  99  18.37 +/- 2.47   0.694% *  0.0562% (0.57  1.00   0.02   0.02) =   0.001%
          HA1   GLY  109 - QE    LYS+ 102  19.45 +/- 2.19   0.593% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.49 +/- 2.19   0.595% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  26.43 +/- 2.62   0.246% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  24.93 +/- 3.36   0.320% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.08 +/- 2.80   0.277% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  18.95 +/- 2.63   0.622% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.14 +/- 3.06   0.386% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.42 +/- 2.24   0.842% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.69 +/- 2.80   0.475% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  18.72 +/- 2.73   0.686% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  29.19 +/- 2.93   0.171% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.94 +/- 2.03   0.207% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  27.72 +/- 2.96   0.195% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.986, support = 4.69, residual support = 156.8:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.59 +/- 0.46  63.886% * 78.6692% (1.00 10.00   4.75 159.83) =  98.001%  kept
        T HB    VAL   41 - QE    LYS+  99   7.77 +/- 2.06   4.697% * 14.1539% (0.33 10.00   1.08   0.02) =   1.296%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.27 +/- 1.25   6.138% *  5.3113% (0.34  1.00   3.96  23.64) =   0.636%  kept
        T QB    LYS+ 102 - QE    LYS+  99   8.37 +/- 0.98   3.038% *  0.5365% (0.68 10.00   0.02   1.62) =   0.032%
        T HB    VAL   41 - QE    LYS+ 102  10.54 +/- 2.65   2.072% *  0.3829% (0.49 10.00   0.02   0.02) =   0.015%
        T QB    LYS+ 102 - QE    LYS+  38  11.11 +/- 2.71   1.635% *  0.1801% (0.23 10.00   0.02   0.02) =   0.006%
          HB2   LEU   71 - QE    LYS+  99   9.05 +/- 2.85   3.992% *  0.0518% (0.66  1.00   0.02   0.02) =   0.004%
        T HB    VAL   41 - QE    LYS+  38  10.92 +/- 1.71   2.124% *  0.0877% (0.11 10.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - QE    LYS+ 102  14.95 +/- 3.16   0.663% *  0.0759% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  38  10.93 +/- 2.77   2.604% *  0.0174% (0.22  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  99  12.82 +/- 2.34   1.057% *  0.0369% (0.47  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+  99   9.47 +/- 1.31   1.831% *  0.0183% (0.23  1.00   0.02   0.30) =   0.001%
          QB    LYS+  65 - QE    LYS+  99  14.48 +/- 1.91   0.561% *  0.0526% (0.67  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  38  16.70 +/- 4.09   1.689% *  0.0088% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  19.63 +/- 2.47   0.184% *  0.0771% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.50 +/- 2.81   0.479% *  0.0261% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.75 +/- 2.31   0.220% *  0.0540% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  20.80 +/- 1.57   0.145% *  0.0726% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  17.22 +/- 2.69   0.546% *  0.0177% (0.22  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.63 +/- 1.56   0.149% *  0.0495% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  15.89 +/- 2.93   0.544% *  0.0124% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  22.80 +/- 3.70   0.135% *  0.0383% (0.49  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  17.08 +/- 5.13   0.430% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.19 +/- 2.02   0.511% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  22.32 +/- 4.66   0.136% *  0.0121% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  26.30 +/- 1.73   0.075% *  0.0166% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.74 +/- 3.23   0.127% *  0.0083% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.95 +/- 2.86   0.080% *  0.0121% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  21.84 +/- 5.87   0.183% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  28.89 +/- 3.35   0.070% *  0.0028% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.994, support = 4.37, residual support = 158.0:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.14 +/- 0.36  42.416% * 95.4955% (1.00  10.0 10.00   4.42 159.83) =  98.785%  kept
          HG    LEU   40 - QE    LYS+  99   5.24 +/- 1.79  18.687% *  2.4556% (0.55   1.0  1.00   0.94  10.62) =   1.119%  kept
        T HG2   LYS+ 102 - QE    LYS+  38  12.57 +/- 3.41   7.380% *  0.2186% (0.23   1.0 10.00   0.02   0.02) =   0.039%
        T HG2   LYS+ 102 - QE    LYS+  99   9.70 +/- 0.96   1.678% *  0.6513% (0.68   1.0 10.00   0.02   1.62) =   0.027%
          HG    LEU   40 - QE    LYS+ 102  11.74 +/- 2.68   5.483% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.010%
          QB    ALA   61 - QE    LYS+  99  13.80 +/- 3.85   5.720% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.005%
          HG    LEU   67 - QE    LYS+  99  11.45 +/- 3.13   2.041% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   67 - QE    LYS+  99  11.21 +/- 2.49   1.445% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   73 - QE    LYS+ 102  16.50 +/- 3.30   0.547% *  0.0936% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - QE    LYS+  99  13.41 +/- 2.26   0.685% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  99  14.40 +/- 2.39   0.592% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QE    LYS+ 102  17.66 +/- 3.06   0.512% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+ 102  17.63 +/- 3.15   0.493% *  0.0656% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QE    LYS+  38   9.92 +/- 1.28   1.701% *  0.0175% (0.18   1.0  1.00   0.02   0.53) =   0.001%
          QB    ALA   61 - QE    LYS+ 102  17.75 +/- 3.69   0.520% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+  99  15.91 +/- 1.74   0.406% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QE    LYS+ 102  18.42 +/- 2.31   0.260% *  0.0765% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.55 +/- 2.26   0.227% *  0.0828% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  14.35 +/- 3.58   0.815% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  17.01 +/- 3.00   0.378% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  17.55 +/- 3.23   0.552% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  19.04 +/- 4.50   0.489% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  17.79 +/- 2.43   0.394% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  14.41 +/- 2.42   0.751% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.35 +/- 3.50   0.677% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  16.17 +/- 2.66   0.552% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  14.73 +/- 2.73   0.630% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  17.74 +/- 3.63   0.367% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  16.43 +/- 1.72   0.339% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.74 +/- 2.03   0.312% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.85 +/- 2.09   0.341% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  17.10 +/- 3.29   0.479% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  19.35 +/- 2.36   0.227% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  14.70 +/- 3.66   0.698% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  20.41 +/- 3.77   0.422% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  21.82 +/- 2.57   0.169% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  19.01 +/- 4.10   0.333% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  22.89 +/- 2.30   0.141% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  22.68 +/- 2.70   0.140% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 0.995, support = 3.99, residual support = 158.9:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.36 +/- 0.36  58.556% * 87.1357% (1.00  10.0 10.00   4.00 159.83) =  99.340%  kept
          QB    LEU   98 - QE    LYS+  99   6.51 +/- 0.94   4.587% *  4.2887% (0.23   1.0  1.00   4.23  18.56) =   0.383%  kept
          HG    LEU   98 - QE    LYS+  99   7.00 +/- 1.18   2.981% *  2.1484% (0.19   1.0  1.00   2.60  18.56) =   0.125%  kept
        T HG3   LYS+ 106 - QE    LYS+  99  11.17 +/- 2.46   3.450% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.038%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.33 +/- 1.99   2.306% *  0.8243% (0.95   1.0 10.00   0.02   0.02) =   0.037%
        T HG3   LYS+  33 - QE    LYS+ 102  16.05 +/- 4.52   1.509% *  0.8243% (0.95   1.0 10.00   0.02   0.02) =   0.024%
        T HG3   LYS+ 102 - QE    LYS+  38  13.01 +/- 3.41   4.448% *  0.1995% (0.23   1.0 10.00   0.02   0.02) =   0.017%
        T HG3   LYS+ 102 - QE    LYS+  99  10.16 +/- 1.02   0.897% *  0.5942% (0.68   1.0 10.00   0.02   1.62) =   0.010%
        T HG3   LYS+  33 - QE    LYS+  99  12.70 +/- 1.92   0.548% *  0.5621% (0.65   1.0 10.00   0.02   0.02) =   0.006%
          QB    LEU   98 - QE    LYS+ 102   6.41 +/- 0.83   4.908% *  0.0297% (0.34   1.0  1.00   0.02   2.15) =   0.003%
        T HG3   LYS+  33 - QE    LYS+  38  10.90 +/- 1.13   0.724% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  65 - QE    LYS+  99  16.75 +/- 2.51   0.212% *  0.5825% (0.67   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QE    LYS+  99   8.43 +/- 1.87   2.016% *  0.0582% (0.67   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    LYS+ 102   7.47 +/- 1.26   3.900% *  0.0242% (0.28   1.0  1.00   0.02   2.15) =   0.002%
        T HG3   LYS+  65 - QE    LYS+ 102  22.70 +/- 2.35   0.105% *  0.8541% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QE    LYS+ 102  12.43 +/- 2.07   0.992% *  0.0854% (0.98   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 106 - QE    LYS+  38  17.47 +/- 2.12   0.195% *  0.1887% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  65 - QE    LYS+  38  19.64 +/- 3.33   0.182% *  0.1955% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+ 102  17.12 +/- 3.07   0.374% *  0.0869% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QE    LYS+  99  14.45 +/- 2.19   0.336% *  0.0593% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  14.71 +/- 2.21   0.383% *  0.0327% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  14.89 +/- 6.37   0.859% *  0.0118% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  13.03 +/- 1.49   0.457% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  21.86 +/- 2.07   0.095% *  0.0864% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  19.68 +/- 2.35   0.129% *  0.0589% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.86 +/- 1.83   0.974% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.17 +/- 4.31   0.121% *  0.0529% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  18.38 +/- 3.35   0.176% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  16.89 +/- 2.62   0.224% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  11.65 +/- 2.45   0.856% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.07 +/- 1.58   0.126% *  0.0358% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  19.56 +/- 5.73   0.261% *  0.0172% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.58 +/- 4.36   0.340% *  0.0121% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.75 +/- 1.70   0.199% *  0.0199% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.19 +/- 1.71   0.141% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.38 +/- 2.80   0.297% *  0.0092% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  19.64 +/- 2.54   0.187% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  18.22 +/- 6.89   0.496% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  25.40 +/- 3.02   0.061% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  20.35 +/- 2.64   0.127% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  18.89 +/- 3.21   0.201% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  24.67 +/- 1.82   0.066% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.787, support = 4.01, residual support = 169.8:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.03  27.586% * 72.2175% (1.00  10.0 10.00   4.00 159.83) =  74.412%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  28.193% * 13.2369% (0.18  10.0  1.00   3.74 220.28) =  13.939%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  28.268% * 10.9650% (0.15  10.0 10.00   4.45 174.38) =  11.577%  kept
        T QD    LYS+ 102 - QE    LYS+  38  12.01 +/- 3.55   6.792% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.042%
        T QD    LYS+ 102 - QE    LYS+  99   9.70 +/- 1.01   0.319% *  0.4925% (0.68   1.0 10.00   0.02   1.62) =   0.006%
        T QD    LYS+ 106 - QE    LYS+  99  11.32 +/- 2.67   1.249% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 106 - QE    LYS+ 102   8.87 +/- 2.06   0.581% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  38 - QE    LYS+  99   6.63 +/- 2.18   2.260% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QE    LYS+  38   7.24 +/- 2.46   2.378% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - QE    LYS+ 102   9.65 +/- 1.07   0.334% *  0.1608% (0.22   1.0 10.00   0.02   1.62) =   0.002%
          QD    LYS+  38 - QE    LYS+ 102  11.85 +/- 3.35   0.537% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+  99  15.80 +/- 2.46   0.091% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 102  21.15 +/- 2.58   0.034% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - QE    LYS+ 102  23.04 +/- 2.99   0.026% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  22.06 +/- 3.12   0.037% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  18.18 +/- 2.97   0.084% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  15.08 +/- 3.54   0.129% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  13.86 +/- 5.03   0.215% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  16.81 +/- 5.53   0.117% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  17.70 +/- 5.53   0.081% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.95 +/- 2.02   0.063% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  17.29 +/- 3.29   0.078% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  21.76 +/- 5.12   0.037% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.56 +/- 2.85   0.069% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  15.02 +/- 2.17   0.092% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.64 +/- 1.45   0.026% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  28.24 +/- 3.55   0.015% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  21.17 +/- 1.52   0.028% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.21 +/- 1.67   0.029% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.49 +/- 1.70   0.027% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  21.77 +/- 6.10   0.044% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.61 +/- 5.17   0.060% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.30 +/- 1.82   0.057% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  20.85 +/- 3.17   0.035% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  26.68 +/- 1.70   0.014% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  26.83 +/- 1.57   0.014% *  0.0094% (0.13   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 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 = 0.77, support = 5.73, residual support = 138.1:
    * O T HB    ILE  103 - HA    ILE  103   2.94 +/- 0.07  27.793% * 78.9844% (1.00  10.0 10.00   5.66 138.77) =  71.144%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.29 +/- 0.35  55.913% * 15.6309% (0.20  10.0 10.00   5.98 138.77) =  28.324%  kept
          HB3   LYS+  38 - HA    THR   39   4.79 +/- 0.30   6.458% *  1.2815% (0.08   1.0  1.00   3.94  23.91) =   0.268%  kept
          HB3   ASP- 105 - HA    ILE  103   6.79 +/- 0.65   2.523% *  2.8661% (0.99   1.0  1.00   0.73   3.20) =   0.234%  kept
          QB    LYS+ 106 - HA    ILE  103   7.12 +/- 1.27   2.262% *  0.2876% (0.80   1.0  1.00   0.09   0.02) =   0.021%
        T HB    ILE  103 - HA    THR   39  14.79 +/- 1.94   0.404% *  0.2609% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HA    ILE  103  17.03 +/- 3.02   0.309% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    THR   39   9.22 +/- 0.75   0.945% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - HA    THR   39  11.70 +/- 2.01   0.755% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ILE  103  15.34 +/- 2.34   0.244% *  0.0747% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    ILE  103  18.11 +/- 2.74   0.201% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  18.86 +/- 1.96   0.112% *  0.0708% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.80 +/- 1.84   0.387% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.79 +/- 2.09   0.260% *  0.0259% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  20.23 +/- 4.43   0.151% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.09 +/- 1.69   0.208% *  0.0209% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.85 +/- 3.35   0.053% *  0.0788% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  20.01 +/- 2.78   0.120% *  0.0296% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  22.07 +/- 3.27   0.108% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.40 +/- 1.28   0.393% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  24.12 +/- 2.80   0.059% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  20.55 +/- 5.92   0.151% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  25.93 +/- 4.46   0.049% *  0.0260% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  27.16 +/- 1.64   0.036% *  0.0234% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  22.26 +/- 2.42   0.068% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  27.42 +/- 3.22   0.039% *  0.0107% (0.14   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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.862, support = 5.41, residual support = 138.1:
    * O T QG2   ILE  103 - HA    ILE  103   2.69 +/- 0.25  41.723% * 65.7130% (1.00  10.0 10.00   5.59 138.77) =  75.208%  kept
        T QD1   ILE  103 - HA    ILE  103   3.11 +/- 0.49  29.938% * 29.4612% (0.45   1.0 10.00   4.88 138.77) =  24.194%  kept
          QD2   LEU   40 - HA    THR   39   5.73 +/- 0.49   4.872% *  3.8908% (0.32   1.0  1.00   3.71  24.03) =   0.520%  kept
          QD2   LEU   71 - HA    THR   39   6.69 +/- 2.46   6.934% *  0.2884% (0.19   1.0  1.00   0.47   0.17) =   0.055%
          QD2   LEU   40 - HA    ILE  103   6.02 +/- 1.49   8.242% *  0.0634% (0.97   1.0  1.00   0.02   0.02) =   0.014%
        T QG2   ILE  103 - HA    THR   39  12.53 +/- 1.47   0.432% *  0.2171% (0.33   1.0 10.00   0.02   0.02) =   0.003%
          QD1   LEU   67 - HA    THR   39   8.83 +/- 2.10   2.799% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   ILE  103 - HA    THR   39  12.04 +/- 1.71   0.494% *  0.0973% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  103  12.13 +/- 2.01   0.645% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HA    ILE  103  12.22 +/- 2.31   0.657% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HA    THR   39  14.72 +/- 2.85   1.745% *  0.0089% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  13.59 +/- 2.16   0.456% *  0.0270% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.45 +/- 2.54   0.167% *  0.0644% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.73 +/- 3.27   0.326% *  0.0213% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  15.22 +/- 2.99   0.278% *  0.0183% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.00 +/- 3.62   0.290% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.737, support = 5.07, residual support = 138.5:
    *   T QD1   ILE  103 - HA    ILE  103   3.11 +/- 0.49  30.620% * 77.2297% (0.92   1.0 10.00   4.88 138.77) =  72.477%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.69 +/- 0.25  42.656% * 20.8613% (0.25  10.0 10.00   5.59 138.77) =  27.273%  kept
          QD2   LEU   40 - HA    THR   39   5.73 +/- 0.49   4.980% *  0.7920% (0.05   1.0  1.00   3.71  24.03) =   0.121%  kept
          QD2   LEU   71 - HA    THR   39   6.69 +/- 2.46   7.088% *  0.5417% (0.28   1.0  1.00   0.47   0.17) =   0.118%  kept
        T QD1   ILE  103 - HA    THR   39  12.04 +/- 1.71   0.505% *  0.2552% (0.30   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HA    ILE  103   6.02 +/- 1.49   8.424% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HA    ILE  103  12.22 +/- 2.31   0.672% *  0.0699% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE  103 - HA    THR   39  12.53 +/- 1.47   0.442% *  0.0689% (0.08   1.0 10.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HA    ILE  103  15.22 +/- 2.99   0.284% *  0.0835% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    THR   39   8.83 +/- 2.10   2.867% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.13 +/- 2.01   0.660% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.00 +/- 3.62   0.296% *  0.0276% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.45 +/- 2.54   0.171% *  0.0285% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  16.73 +/- 3.27   0.334% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.8:
    * O T HA    ILE  103 - HB    ILE  103   2.94 +/- 0.07  91.713% * 98.6567% (1.00  10.0 10.00   5.66 138.77) =  99.986%  kept
        T HA    THR   39 - HB    ILE  103  14.79 +/- 1.94   1.141% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP-  44 - HB    ILE  103  12.44 +/- 1.52   1.554% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HA    GLU-  79 - HB    ILE  103  20.33 +/- 3.85   1.511% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB    ILE  103  15.74 +/- 3.37   0.815% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB    ILE  103  13.16 +/- 3.90   1.977% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB    ILE  103  18.36 +/- 2.66   0.488% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HB    ILE  103  31.19 +/- 5.77   0.106% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.40 +/- 2.73   0.288% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.73 +/- 2.35   0.135% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.05 +/- 3.71   0.164% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.18 +/- 4.82   0.109% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.843, support = 5.05, residual support = 138.8:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  46.932% * 68.8462% (1.00  10.0 10.00   5.19 138.77) =  71.529%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.25 +/- 0.30  41.644% * 30.8659% (0.45  10.0 10.00   4.70 138.77) =  28.455%  kept
          QD2   LEU   40 - HB    ILE  103   7.90 +/- 1.87  10.442% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.015%
          QD1   LEU   67 - HB    ILE  103  13.72 +/- 1.92   0.217% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  13.79 +/- 2.82   0.343% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  14.64 +/- 2.28   0.201% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.71 +/- 2.45   0.071% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.30 +/- 3.03   0.149% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.766, support = 4.82, residual support = 138.8:
    * O T QD1   ILE  103 - HB    ILE  103   2.25 +/- 0.30  41.728% * 78.5650% (0.92  10.0 10.00   4.70 138.77) =  76.659%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  47.027% * 21.2220% (0.25  10.0 10.00   5.19 138.77) =  23.337%  kept
          QD2   LEU   40 - HB    ILE  103   7.90 +/- 1.87  10.463% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HB    ILE  103  13.79 +/- 2.82   0.344% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB    ILE  103  16.30 +/- 3.03   0.150% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.72 +/- 1.92   0.218% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.71 +/- 2.45   0.071% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 138.8:
    * O T HA    ILE  103 - QG2   ILE  103   2.69 +/- 0.25  90.468% * 98.6567% (1.00  10.0 10.00   5.59 138.77) =  99.984%  kept
        T HA    THR   39 - QG2   ILE  103  12.53 +/- 1.47   1.164% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.009%
          HA    ASP-  44 - QG2   ILE  103   9.36 +/- 1.29   2.567% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   85 - QG2   ILE  103  13.18 +/- 2.63   1.060% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QG2   ILE  103  14.77 +/- 2.10   0.707% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   ILE  103  16.98 +/- 2.98   0.849% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QG2   ILE  103  11.46 +/- 2.98   1.979% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - QG2   ILE  103  16.39 +/- 2.14   0.521% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  21.00 +/- 2.01   0.216% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.06 +/- 4.54   0.133% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.61 +/- 2.70   0.200% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.16 +/- 3.62   0.134% *  0.0305% (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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.932, support = 5.18, residual support = 137.7:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  52.181% * 79.0471% (1.00  10.0 10.00   5.19 138.77) =  90.757%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.79 +/- 0.27  24.531% * 15.6433% (0.20  10.0 10.00   5.48 138.77) =   8.444%  kept
          HB3   ASP- 105 - QG2   ILE  103   4.62 +/- 0.50   5.891% *  4.0406% (0.99   1.0  1.00   1.03   3.20) =   0.524%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.96 +/- 1.39  15.868% *  0.7852% (0.80   1.0  1.00   0.25   0.02) =   0.274%  kept
          HG3   PRO   68 - QG2   ILE  103  15.14 +/- 2.77   0.225% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.53 +/- 2.00   0.189% *  0.0748% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.29 +/- 1.62   0.195% *  0.0709% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  14.94 +/- 2.02   0.187% *  0.0660% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.10 +/- 2.50   0.073% *  0.0789% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  16.38 +/- 3.48   0.175% *  0.0325% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.85 +/- 2.10   0.163% *  0.0297% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.74 +/- 1.73   0.233% *  0.0197% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  19.06 +/- 2.37   0.089% *  0.0325% (0.41   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 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.922, support = 4.87, residual support = 138.5:
    *   T HA    ILE  103 - QD1   ILE  103   3.11 +/- 0.49  69.947% * 97.6761% (0.92 10.00   4.88 138.77) =  99.826%  kept
          HA    ASP-  86 - QD1   ILE  103   9.92 +/- 3.49   9.158% *  1.0210% (0.26  1.00   0.75   0.02) =   0.137%  kept
        T HA    THR   39 - QD1   ILE  103  12.04 +/- 1.71   1.357% *  0.7093% (0.67 10.00   0.02   0.02) =   0.014%
          HA    GLU-  79 - QD1   ILE  103  15.46 +/- 3.54   8.819% *  0.0782% (0.74  1.00   0.02   0.02) =   0.010%
          HA    ASP-  44 - QD1   ILE  103   9.40 +/- 1.84   5.079% *  0.0924% (0.87  1.00   0.02   0.02) =   0.007%
          HA    SER   85 - QD1   ILE  103  11.98 +/- 3.19   2.640% *  0.0957% (0.90  1.00   0.02   0.02) =   0.004%
          HB    THR   77 - QD1   ILE  103  13.99 +/- 2.76   1.438% *  0.0957% (0.90  1.00   0.02   0.02) =   0.002%
          HA    MET   11 - QD1   ILE  103  24.98 +/- 5.38   0.211% *  0.0902% (0.85  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.45 +/- 2.32   0.276% *  0.0592% (0.56  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  17.42 +/- 2.39   0.511% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  20.83 +/- 3.40   0.335% *  0.0217% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  24.16 +/- 4.45   0.227% *  0.0301% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.793, support = 4.69, residual support = 138.7:
    * O T HB    ILE  103 - QD1   ILE  103   2.25 +/- 0.30  40.732% * 82.9317% (0.92  10.0 10.00   4.70 138.77) =  82.373%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.01  43.982% * 16.4121% (0.18  10.0 10.00   4.62 138.77) =  17.602%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.71 +/- 1.94  12.253% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.020%
          HB3   ASP- 105 - QD1   ILE  103   7.41 +/- 0.75   1.267% *  0.0822% (0.91   1.0  1.00   0.02   3.20) =   0.003%
          QB    LYS+  81 - QD1   ILE  103  13.57 +/- 2.74   0.348% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD1   ILE  103  13.15 +/- 2.50   0.258% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  15.84 +/- 2.63   0.196% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  13.95 +/- 2.40   0.195% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.14 +/- 2.07   0.337% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  18.28 +/- 3.55   0.198% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.77 +/- 2.87   0.059% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  17.26 +/- 2.35   0.107% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  19.95 +/- 2.71   0.067% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 214.1:
    * O T HB2   LEU  104 - HA    LEU  104   2.88 +/- 0.20  95.839% * 99.7433% (0.87  10.0 10.00   5.98 214.10) =  99.997%  kept
          QG2   VAL  108 - HA    LEU  104  10.79 +/- 0.54   1.925% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE  119 - HA    LEU  104  14.03 +/- 2.90   1.154% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HA    LEU  104  18.74 +/- 1.29   0.370% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  15.46 +/- 2.14   0.712% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.3, residual support = 214.1:
    * O T HB3   LEU  104 - HA    LEU  104   2.53 +/- 0.23  94.617% * 99.4463% (0.76  10.0 10.00   5.31 214.10) =  99.993%  kept
          QG1   VAL   70 - HA    LEU  104  11.18 +/- 2.51   2.113% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.003%
          QD1   LEU   71 - HA    LEU  104  12.99 +/- 2.86   1.312% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HA    LEU  104  15.07 +/- 4.29   0.775% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU  104  16.20 +/- 2.25   0.540% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  104  15.57 +/- 2.25   0.644% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.69, residual support = 214.1:
    * O T HG    LEU  104 - HA    LEU  104   2.96 +/- 0.62  88.584% * 99.5259% (1.00  10.0 10.00   5.69 214.10) =  99.991%  kept
          HB3   LYS+ 121 - HA    LEU  104  13.38 +/- 6.90   4.862% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HA    LEU  104  13.52 +/- 6.83   3.503% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  19.20 +/- 2.92   0.548% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HA    LEU  104  18.36 +/- 2.72   0.743% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LEU  104  21.42 +/- 2.40   0.410% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.74 +/- 2.88   0.625% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.00 +/- 1.78   0.417% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.54 +/- 2.24   0.308% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 214.0:
    *   T QD1   LEU  104 - HA    LEU  104   3.64 +/- 0.35  86.017% * 98.8828% (0.96 10.00   5.31 214.10) =  99.970%  kept
        T QD1   LEU   63 - HA    LEU  104  12.44 +/- 1.71   2.864% *  0.4212% (0.41 10.00   0.02   0.02) =   0.014%
        T QD1   LEU   73 - HA    LEU  104  14.42 +/- 1.89   1.655% *  0.4212% (0.41 10.00   0.02   0.02) =   0.008%
          QG1   VAL   83 - HA    LEU  104  13.43 +/- 3.19   3.764% *  0.0889% (0.87  1.00   0.02   0.02) =   0.004%
          QD2   LEU  115 - HA    LEU  104  13.35 +/- 1.62   2.397% *  0.0783% (0.76  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HA    LEU  104  15.97 +/- 2.49   1.475% *  0.0820% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU  104  13.99 +/- 1.43   1.829% *  0.0255% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.942, support = 5.5, residual support = 197.9:
    *   T QD2   LEU  104 - HA    LEU  104   2.77 +/- 0.60  69.056% * 75.8564% (1.00 10.00   5.72 214.10) =  91.987%  kept
        T QD1   LEU   98 - HA    LEU  104   5.66 +/- 1.03  19.442% * 23.4129% (0.31 10.00   2.91  12.12) =   7.993%  kept
        T QG1   VAL   41 - HA    LEU  104   9.41 +/- 2.11   5.181% *  0.1501% (0.20 10.00   0.02   0.02) =   0.014%
        T QG2   VAL   18 - HA    LEU  104  17.03 +/- 1.97   0.429% *  0.4295% (0.56 10.00   0.02   0.02) =   0.003%
          QG1   VAL   43 - HA    LEU  104   9.72 +/- 2.11   4.839% *  0.0259% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    LEU  104  15.39 +/- 1.84   0.671% *  0.0521% (0.69  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    LEU  104  17.22 +/- 1.78   0.382% *  0.0732% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.865, support = 5.98, residual support = 214.1:
    * O T HA    LEU  104 - HB2   LEU  104   2.88 +/- 0.20  97.983% * 99.7454% (0.87  10.0 10.00   5.98 214.10) =  99.999%  kept
          HA    TRP   87 - HB2   LEU  104  14.73 +/- 3.45   1.109% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB2   LEU  104  17.50 +/- 3.16   0.579% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.89 +/- 2.42   0.203% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  28.30 +/- 3.25   0.126% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.39, residual support = 214.1:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  95.910% * 99.4463% (0.66  10.0 10.00   5.39 214.10) =  99.995%  kept
          QG1   VAL   70 - HB2   LEU  104   9.42 +/- 2.50   1.745% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HB2   LEU  104  11.59 +/- 2.99   1.492% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HB2   LEU  104  13.72 +/- 4.31   0.345% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.61 +/- 2.33   0.222% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  13.52 +/- 2.12   0.286% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.9, residual support = 214.1:
    * O T HG    LEU  104 - HB2   LEU  104   2.68 +/- 0.27  90.458% * 99.5259% (0.87  10.0 10.00   5.90 214.10) =  99.993%  kept
          HB3   LYS+ 121 - HB2   LEU  104  12.09 +/- 6.77   4.092% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.005%
          HD2   LYS+ 121 - HB2   LEU  104  12.29 +/- 6.59   3.087% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HB2   LEU  104  18.25 +/- 2.68   0.423% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  16.44 +/- 2.92   0.503% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  19.75 +/- 2.63   0.300% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.62 +/- 2.60   0.443% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  19.35 +/- 2.55   0.324% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.94 +/- 1.77   0.370% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.39, residual support = 214.1:
    * O T QD1   LEU  104 - HB2   LEU  104   2.51 +/- 0.34  92.566% * 98.8828% (0.84  10.0 10.00   5.39 214.10) =  99.984%  kept
        T QD1   LEU   63 - HB2   LEU  104  10.82 +/- 1.72   1.721% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.008%
        T QD1   LEU   73 - HB2   LEU  104  13.33 +/- 1.95   1.045% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - HB2   LEU  104  13.19 +/- 2.97   1.593% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   LEU  104  12.08 +/- 1.68   1.169% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  104  15.30 +/- 2.54   0.706% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HB2   LEU  104  13.64 +/- 1.68   1.199% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 6.02, residual support = 212.6:
    * O T QD2   LEU  104 - HB2   LEU  104   2.73 +/- 0.49  79.518% * 93.0412% (0.87  10.0 10.00   6.04 214.10) =  99.243%  kept
          QD1   LEU   98 - HB2   LEU  104   5.97 +/- 0.77   9.067% *  6.0625% (0.27   1.0  1.00   4.22  12.12) =   0.737%  kept
        T QG1   VAL   41 - HB2   LEU  104   8.54 +/- 1.87   4.907% *  0.1841% (0.17   1.0 10.00   0.02   0.02) =   0.012%
        T QG2   VAL   18 - HB2   LEU  104  15.34 +/- 2.09   0.684% *  0.5268% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          QG1   VAL   43 - HB2   LEU  104   9.04 +/- 2.22   4.639% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HB2   LEU  104  15.79 +/- 1.86   0.555% *  0.0898% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   LEU  104  14.26 +/- 1.91   0.630% *  0.0639% (0.60   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 214.1:
    * O T HA    LEU  104 - HB3   LEU  104   2.53 +/- 0.23  97.506% * 99.7454% (0.76  10.0 10.00   5.31 214.10) =  99.999%  kept
          HA    TRP   87 - HB3   LEU  104  15.28 +/- 3.77   1.542% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB3   LEU  104  18.00 +/- 3.61   0.747% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB3   LEU  104  24.73 +/- 2.53   0.128% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  29.15 +/- 3.15   0.077% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.39, residual support = 214.1:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  98.916% * 99.7433% (0.66  10.0 10.00   5.39 214.10) =  99.999%  kept
          QG2   VAL  108 - HB3   LEU  104  11.45 +/- 0.83   0.380% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  13.20 +/- 3.09   0.375% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  18.31 +/- 1.67   0.097% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  14.46 +/- 2.30   0.232% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.22, residual support = 214.1:
    * O T HG    LEU  104 - HB3   LEU  104   2.82 +/- 0.20  90.140% * 99.5259% (0.76  10.0 10.00   5.22 214.10) =  99.993%  kept
          HB3   LYS+ 121 - HB3   LEU  104  12.42 +/- 6.81   3.917% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HB3   LEU  104  12.65 +/- 6.81   3.573% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  17.18 +/- 2.88   0.641% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  18.98 +/- 2.83   0.373% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.84 +/- 2.83   0.273% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.40 +/- 2.85   0.428% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.76 +/- 2.00   0.378% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  20.39 +/- 2.44   0.278% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.737, support = 5.0, residual support = 214.1:
    * O T QD1   LEU  104 - HB3   LEU  104   2.33 +/- 0.34  95.559% * 98.8828% (0.74  10.0 10.00   5.00 214.10) =  99.990%  kept
        T QD1   LEU   63 - HB3   LEU  104  11.67 +/- 1.73   1.257% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.006%
        T QD1   LEU   73 - HB3   LEU  104  14.22 +/- 2.12   0.632% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB3   LEU  104  13.83 +/- 3.41   0.893% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU  104  12.75 +/- 1.67   0.672% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  104  16.08 +/- 2.83   0.398% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.35 +/- 2.11   0.589% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 213.5:
    * O T QD2   LEU  104 - HB3   LEU  104   2.71 +/- 0.40  77.174% * 96.1570% (0.76  10.0 10.00   5.32 214.10) =  99.686%  kept
          QD1   LEU   98 - HB3   LEU  104   6.53 +/- 0.86   7.559% *  2.9167% (0.24   1.0  1.00   1.97  12.12) =   0.296%  kept
        T QG1   VAL   41 - HB3   LEU  104   9.24 +/- 1.90   3.322% *  0.1903% (0.15   1.0 10.00   0.02   0.02) =   0.008%
          QG1   VAL   43 - HB3   LEU  104   9.91 +/- 2.52  10.335% *  0.0328% (0.26   1.0  1.00   0.02   0.02) =   0.005%
        T QG2   VAL   18 - HB3   LEU  104  16.18 +/- 2.13   0.484% *  0.5444% (0.43   1.0 10.00   0.02   0.02) =   0.004%
          QG2   THR   46 - HB3   LEU  104  15.12 +/- 1.96   0.692% *  0.0661% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB3   LEU  104  16.56 +/- 1.95   0.433% *  0.0928% (0.74   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.69, residual support = 214.1:
    * O T HA    LEU  104 - HG    LEU  104   2.96 +/- 0.62  97.466% * 99.7454% (1.00  10.0 10.00   5.69 214.10) =  99.999%  kept
          HA    TRP   87 - HG    LEU  104  15.01 +/- 3.58   1.286% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HG    LEU  104  17.48 +/- 3.66   0.771% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG    LEU  104  24.09 +/- 2.99   0.303% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  28.40 +/- 3.63   0.175% *  0.0647% (0.65   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 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.9, residual support = 214.1:
    * O T HB2   LEU  104 - HG    LEU  104   2.68 +/- 0.27  96.782% * 99.7433% (0.87  10.0 10.00   5.90 214.10) =  99.998%  kept
          QG2   VAL  108 - HG    LEU  104  12.02 +/- 0.66   1.155% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HG    LEU  104  14.08 +/- 3.21   1.060% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HG    LEU  104  19.14 +/- 1.54   0.305% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  14.88 +/- 2.16   0.698% *  0.0201% (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 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.22, residual support = 214.1:
    * O T HB3   LEU  104 - HG    LEU  104   2.82 +/- 0.20  87.115% * 99.4463% (0.76  10.0 10.00   5.22 214.10) =  99.982%  kept
          QG1   VAL   70 - HG    LEU  104  10.08 +/- 2.72   6.514% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.009%
          QD1   LEU   71 - HG    LEU  104  11.58 +/- 3.06   3.724% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.006%
          QD1   LEU  123 - HG    LEU  104  15.07 +/- 4.64   1.013% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  104  15.33 +/- 2.47   0.815% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HG    LEU  104  14.91 +/- 2.12   0.818% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 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 = 5.22, residual support = 214.1:
    * O T QD1   LEU  104 - HG    LEU  104   2.10 +/- 0.01  96.743% * 98.8828% (0.97  10.0 10.00   5.22 214.10) =  99.993%  kept
        T QD1   LEU   63 - HG    LEU  104  12.03 +/- 1.64   0.666% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - HG    LEU  104  13.64 +/- 2.00   0.456% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HG    LEU  104  13.28 +/- 3.64   0.850% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HG    LEU  104  13.61 +/- 2.03   0.503% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  15.48 +/- 3.11   0.395% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  14.39 +/- 1.74   0.387% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 5.68, residual support = 212.5:
    * O T QD2   LEU  104 - HG    LEU  104   2.11 +/- 0.02  78.928% * 93.8968% (1.00  10.0 10.00   5.70 214.10) =  99.184%  kept
          QD1   LEU   98 - HG    LEU  104   5.39 +/- 0.96  11.500% *  5.1986% (0.31   1.0  1.00   3.59  12.12) =   0.800%  kept
        T QG1   VAL   41 - HG    LEU  104   8.06 +/- 2.18   4.803% *  0.1858% (0.20   1.0 10.00   0.02   0.02) =   0.012%
          QG1   VAL   43 - HG    LEU  104   9.46 +/- 2.27   4.090% *  0.0320% (0.34   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   VAL   18 - HG    LEU  104  16.09 +/- 2.41   0.226% *  0.5316% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   19 - HG    LEU  104  15.94 +/- 1.95   0.219% *  0.0906% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  15.26 +/- 1.60   0.234% *  0.0645% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.3, residual support = 214.1:
    *   T HA    LEU  104 - QD1   LEU  104   3.64 +/- 0.35  75.371% * 99.2875% (0.96 10.00   5.31 214.10) =  99.982%  kept
        T HA    LEU  104 - QD1   LEU   63  12.44 +/- 1.71   2.505% *  0.1829% (0.18 10.00   0.02   0.02) =   0.006%
        T HA    LEU  104 - QD1   LEU   73  14.42 +/- 1.89   1.446% *  0.1829% (0.18 10.00   0.02   0.02) =   0.004%
          HA    TRP   87 - QD1   LEU  104  13.47 +/- 3.37   5.304% *  0.0446% (0.43  1.00   0.02   0.02) =   0.003%
          HA    ASP-  86 - QD1   LEU  104  15.51 +/- 3.42   2.257% *  0.0684% (0.66  1.00   0.02   0.02) =   0.002%
          HA    GLU-  14 - QD1   LEU  104  19.91 +/- 2.39   0.577% *  0.0760% (0.74  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD1   LEU   73  12.48 +/- 2.44   2.525% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  13.75 +/- 2.63   1.874% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  23.49 +/- 2.80   0.326% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  13.37 +/- 2.65   2.453% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  15.41 +/- 3.20   1.535% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.38 +/- 1.86   1.278% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  19.16 +/- 3.09   0.772% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  15.90 +/- 2.57   1.086% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  18.15 +/- 2.46   0.690% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.768, support = 5.24, residual support = 207.7:
    * O T HB2   LEU  104 - QD1   LEU  104   2.51 +/- 0.34  28.236% * 89.8089% (0.84  10.0 10.00   5.39 214.10) =  91.169%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.01  43.385% *  3.3396% (0.03  10.0 10.00   5.54 240.61) =   5.209%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.69 +/- 2.09  18.539% *  5.4006% (0.10   1.0 10.00   1.00   0.45) =   3.600%  kept
        T QD1   ILE  119 - QD1   LEU  104  11.60 +/- 2.82   0.442% *  0.5862% (0.55   1.0 10.00   0.02   0.02) =   0.009%
        T HB2   LEU  104 - QD1   LEU   63  10.82 +/- 1.72   0.424% *  0.1654% (0.15   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   ILE  119 - QD1   LEU   73  11.97 +/- 2.76   0.646% *  0.1080% (0.10   1.0 10.00   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - QD1   LEU   63   9.15 +/- 3.07   5.301% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU  104  12.29 +/- 2.03   0.289% *  0.1813% (0.17   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - QD1   LEU  104  10.69 +/- 0.77   0.360% *  0.0999% (0.93   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  104 - QD1   LEU   73  13.33 +/- 1.95   0.216% *  0.1654% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  10.93 +/- 1.52   0.393% *  0.0334% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  13.10 +/- 2.46   0.554% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63  10.67 +/- 2.32   0.494% *  0.0184% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  14.83 +/- 3.91   0.608% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  16.19 +/- 1.48   0.111% *  0.0545% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.689, support = 5.04, residual support = 215.4:
    * O T HB3   LEU  104 - QD1   LEU  104   2.33 +/- 0.34  35.876% * 85.7580% (0.74  10.0 10.00   5.00 214.10) =  92.687%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.63 +/- 0.36  27.483% *  8.4968% (0.07  10.0 10.00   5.79 240.61) =   7.035%  kept
          QG1   VAL   18 - QD1   LEU   73   5.81 +/- 2.35   4.543% *  1.3939% (0.16   1.0  1.00   1.50   0.81) =   0.191%  kept
        T HB3   LEU   63 - QD1   LEU   73  10.53 +/- 2.05   0.539% *  3.0023% (0.07   1.0 10.00   0.71   0.02) =   0.049%
          QG1   VAL   70 - QD1   LEU  104   8.20 +/- 2.15   2.663% *  0.1083% (0.93   1.0  1.00   0.02   0.02) =   0.009%
          QG1   VAL   70 - QD1   LEU   63   4.39 +/- 1.66  13.419% *  0.0199% (0.17   1.0  1.00   0.02   0.02) =   0.008%
          QD1   LEU   71 - QD1   LEU  104   9.63 +/- 2.31   1.431% *  0.1112% (0.96   1.0  1.00   0.02   0.02) =   0.005%
        T HB3   LEU   63 - QD1   LEU  104  12.31 +/- 1.85   0.331% *  0.4613% (0.40   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QD1   LEU   63   8.73 +/- 2.39   4.037% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   7.48 +/- 2.41   3.851% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QD1   LEU   63  11.67 +/- 1.73   0.366% *  0.1579% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU  104  12.24 +/- 4.12   0.457% *  0.1112% (0.96   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD1   LEU   73   7.87 +/- 1.41   1.730% *  0.0205% (0.18   1.0  1.00   0.02   1.76) =   0.001%
          QG1   VAL   18 - QD1   LEU  104  12.82 +/- 2.25   0.345% *  0.1006% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   7.01 +/- 1.29   1.769% *  0.0185% (0.16   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QD1   LEU   73  14.22 +/- 2.12   0.183% *  0.1579% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   8.70 +/- 0.95   0.786% *  0.0199% (0.17   1.0  1.00   0.02   0.76) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.85 +/- 2.49   0.191% *  0.0205% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 214.1:
    * O T HG    LEU  104 - QD1   LEU  104   2.10 +/- 0.01  67.960% * 98.9901% (0.97  10.0 10.00   5.22 214.10) =  99.990%  kept
          HB3   LYS+ 121 - QD1   LEU  104  11.27 +/- 5.80   1.520% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  104 - QD1   LEU   63  12.03 +/- 1.64   0.466% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD1   LEU  104  11.36 +/- 5.81   2.010% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QD1   LEU   73  13.64 +/- 2.00   0.321% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - QD1   LEU   73   7.83 +/- 1.46   2.445% *  0.0176% (0.17   1.0  1.00   0.02  41.36) =   0.001%
          QG2   THR   26 - QD1   LEU   73   4.98 +/- 2.25   9.884% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD1   LEU   63   6.70 +/- 1.16   2.749% *  0.0125% (0.12   1.0  1.00   0.02   7.44) =   0.001%
          HB3   LYS+ 121 - QD1   LEU   63   9.70 +/- 3.22   1.612% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  17.32 +/- 2.88   0.224% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  14.30 +/- 2.45   0.298% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63  10.21 +/- 2.05   0.956% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   8.09 +/- 2.48   2.344% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  16.96 +/- 2.30   0.157% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  11.91 +/- 2.83   0.765% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.53 +/- 2.21   0.309% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   9.75 +/- 2.43   1.384% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  17.25 +/- 3.77   0.352% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.38 +/- 0.77   1.207% *  0.0045% (0.04   1.0  1.00   0.02   3.06) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.71 +/- 3.82   0.302% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  15.27 +/- 1.84   0.241% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  12.87 +/- 0.97   0.316% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.96 +/- 2.29   0.153% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.73 +/- 2.11   0.759% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  11.50 +/- 1.87   0.567% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.90 +/- 3.37   0.450% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.01 +/- 1.84   0.251% *  0.0068% (0.07   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 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 = 5.44, residual support = 213.0:
    * O T QD2   LEU  104 - QD1   LEU  104   2.04 +/- 0.06  47.158% * 91.9181% (0.97  10.0 10.00   5.45 214.10) =  99.465%  kept
          QD1   LEU   98 - QD1   LEU  104   5.43 +/- 0.83   3.189% *  6.4244% (0.30   1.0  1.00   4.53  12.12) =   0.470%  kept
          QG1   VAL   43 - QD1   LEU   73   5.73 +/- 2.11   8.997% *  0.1025% (0.06   1.0  1.00   0.36   2.76) =   0.021%
        T QG1   VAL   41 - QD1   LEU  104   6.97 +/- 1.92   3.296% *  0.1819% (0.19   1.0 10.00   0.02   0.02) =   0.014%
          QG1   VAL   43 - QD1   LEU  104   8.41 +/- 2.41  12.186% *  0.0314% (0.33   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   VAL   18 - QD1   LEU   73   6.93 +/- 1.84   1.732% *  0.0958% (0.10   1.0 10.00   0.02   0.81) =   0.004%
        T QG2   VAL   18 - QD1   LEU   63   6.98 +/- 0.79   1.334% *  0.0958% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   18 - QD1   LEU  104  13.34 +/- 2.26   0.232% *  0.5204% (0.55   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   41 - QD1   LEU   73   6.53 +/- 1.86   3.399% *  0.0335% (0.04   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QD1   LEU   63   7.41 +/- 2.40   7.239% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  104 - QD1   LEU   63  10.21 +/- 1.69   0.493% *  0.1693% (0.18   1.0 10.00   0.02   0.02) =   0.002%
        T QD2   LEU  104 - QD1   LEU   73  11.30 +/- 2.25   0.373% *  0.1693% (0.18   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QD1   LEU   73   5.66 +/- 1.47   3.444% *  0.0163% (0.17   1.0  1.00   0.02   5.45) =   0.001%
          QG2   THR   46 - QD1   LEU   73   8.04 +/- 1.86   2.050% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QD1   LEU   63   9.51 +/- 1.32   0.623% *  0.0335% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  13.32 +/- 1.73   0.198% *  0.0887% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  13.03 +/- 1.76   0.207% *  0.0631% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.06 +/- 1.49   0.702% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   8.42 +/- 2.14   1.859% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   9.32 +/- 2.06   0.750% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63  10.33 +/- 2.06   0.541% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.72, residual support = 214.1:
    *   T HA    LEU  104 - QD2   LEU  104   2.77 +/- 0.60  78.693% * 99.4871% (1.00 10.00   5.72 214.10) =  99.991%  kept
        T HA    LEU  104 - QG1   VAL   41   9.41 +/- 2.11   6.766% *  0.0534% (0.05 10.00   0.02   0.02) =   0.005%
          HA    TRP   87 - QD2   LEU  104  12.69 +/- 3.06   1.894% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
        T HA    LEU  104 - QG2   VAL   18  17.03 +/- 1.97   0.520% *  0.1529% (0.15 10.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD2   LEU  104  14.59 +/- 3.07   1.058% *  0.0685% (0.69  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QG2   VAL   18   9.30 +/- 1.45   3.766% *  0.0117% (0.12  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QD2   LEU  104  19.88 +/- 2.29   0.300% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  12.95 +/- 2.50   1.956% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.47 +/- 2.81   0.183% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.19 +/- 3.39   1.046% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  13.61 +/- 2.29   1.078% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  19.77 +/- 3.49   0.359% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  12.92 +/- 2.08   1.355% *  0.0024% (0.02  1.00   0.02   0.42) =   0.000%
          HA    TRP   87 - QG2   VAL   18  18.71 +/- 3.46   0.428% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.65 +/- 4.14   0.599% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 214.1:
    * O T HB2   LEU  104 - QD2   LEU  104   2.73 +/- 0.49  74.696% * 99.4846% (0.87  10.0 10.00   6.04 214.10) =  99.990%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.54 +/- 1.87   4.619% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD2   LEU  104  10.25 +/- 0.61   1.686% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU  104 - QG2   VAL   18  15.34 +/- 2.09   0.634% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QD2   LEU  104  12.07 +/- 2.94   1.246% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - QG2   VAL   18   9.76 +/- 2.09   3.015% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  16.35 +/- 1.66   0.387% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.60 +/- 2.29   0.936% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.78 +/- 1.27   5.840% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  14.33 +/- 3.50   1.916% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  15.14 +/- 1.88   0.580% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.64 +/- 1.04   1.026% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.84 +/- 2.34   1.547% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.50 +/- 1.49   1.409% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  17.01 +/- 2.16   0.462% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.595, support = 4.95, residual support = 176.8:
    * O T HB3   LEU  104 - QD2   LEU  104   2.71 +/- 0.40  26.397% * 83.2943% (0.76  10.0 10.00   5.32 214.10) =  72.915%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.03 +/- 0.06  54.305% * 15.0199% (0.14  10.0 10.00   3.97  76.44) =  27.049%  kept
        T QG1   VAL   18 - QD2   LEU  104  12.72 +/- 2.54   0.371% *  0.9775% (0.90   1.0 10.00   0.02   0.02) =   0.012%
          QD1   LEU   71 - QG1   VAL   41   6.06 +/- 1.31   3.442% *  0.0469% (0.05   1.0  1.00   0.16   3.11) =   0.005%
          QG1   VAL   70 - QD2   LEU  104   8.47 +/- 2.09   1.529% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QD2   LEU  104   9.53 +/- 1.73   0.919% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QG2   VAL   18   6.83 +/- 2.10   3.958% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   18 - QG1   VAL   41   8.86 +/- 2.53   1.053% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.002%
        T HB3   LEU  104 - QG1   VAL   41   9.24 +/- 1.90   0.936% *  0.0447% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD2   LEU  104  12.89 +/- 3.91   0.377% *  0.1080% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   8.09 +/- 1.47   1.200% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU  104 - QG2   VAL   18  16.18 +/- 2.13   0.136% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  104  12.59 +/- 2.18   0.369% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QG2   VAL   18  11.81 +/- 2.60   0.859% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.94 +/- 1.13   2.015% *  0.0056% (0.05   1.0  1.00   0.02   2.63) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.43 +/- 1.43   1.477% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  14.37 +/- 2.87   0.203% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.12 +/- 2.02   0.456% *  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 = 5.7, residual support = 214.0:
    * O T HG    LEU  104 - QD2   LEU  104   2.11 +/- 0.02  52.668% * 98.9267% (1.00  10.0 10.00   5.70 214.10) =  99.961%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.72 +/- 3.63  15.499% *  0.0594% (0.04   1.0  1.00   0.31   0.02) =   0.018%
          QD    LYS+  66 - QG2   VAL   18   7.73 +/- 2.26   2.278% *  0.2464% (0.11   1.0  1.00   0.47   0.02) =   0.011%
        T HG    LEU  104 - QG1   VAL   41   8.06 +/- 2.18   3.554% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+  74 - QG2   VAL   18   6.54 +/- 4.02  11.367% *  0.0147% (0.15   1.0  1.00   0.02   1.38) =   0.003%
          HB3   LYS+ 121 - QD2   LEU  104  12.08 +/- 5.73   0.759% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  104 - QG2   VAL   18  16.09 +/- 2.41   0.157% *  0.1520% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104  12.25 +/- 5.63   0.664% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.18 +/- 2.70   0.137% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  14.73 +/- 2.01   0.189% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  17.13 +/- 2.37   0.120% *  0.0970% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.15 +/- 2.35   5.164% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.33 +/- 1.61   3.298% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.07 +/- 2.63   0.258% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.16 +/- 1.98   0.872% *  0.0087% (0.01   1.0  1.00   0.17   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.87 +/- 2.09   0.199% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.75 +/- 2.60   0.679% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.23 +/- 2.60   0.125% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.75 +/- 2.88   0.201% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  11.51 +/- 1.88   0.473% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  17.51 +/- 2.83   0.128% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  15.39 +/- 4.30   0.273% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.54 +/- 2.38   0.188% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.22 +/- 1.45   0.236% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.19 +/- 2.30   0.081% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  15.32 +/- 3.58   0.233% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  14.12 +/- 1.77   0.203% *  0.0013% (0.01   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.45, residual support = 214.1:
    * O T QD1   LEU  104 - QD2   LEU  104   2.04 +/- 0.06  68.161% * 98.4528% (0.97  10.0 10.00   5.45 214.10) =  99.976%  kept
        T QD1   LEU   63 - QD2   LEU  104  10.21 +/- 1.69   0.724% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.005%
        T QD1   LEU  104 - QG1   VAL   41   6.97 +/- 1.92   5.388% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   73 - QD2   LEU  104  11.30 +/- 2.25   0.643% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.004%
        T QD1   LEU   73 - QG2   VAL   18   6.93 +/- 1.84   2.627% *  0.0644% (0.06   1.0 10.00   0.02   0.81) =   0.003%
        T QD1   LEU   63 - QG2   VAL   18   6.98 +/- 0.79   1.884% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QG1   VAL   41   6.53 +/- 1.86   5.342% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QD2   LEU  104  10.98 +/- 3.15   1.040% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - QG2   VAL   18  13.34 +/- 2.26   0.338% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - QD2   LEU  104  11.72 +/- 1.83   0.454% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD2   LEU  104  12.85 +/- 2.69   0.429% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QG1   VAL   41   8.47 +/- 2.17   5.418% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.51 +/- 1.32   0.874% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41   8.81 +/- 2.60   3.313% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  12.13 +/- 1.70   0.467% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.65 +/- 3.79   0.750% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.89 +/- 1.52   0.597% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.39 +/- 3.13   0.428% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  12.87 +/- 3.03   0.368% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  12.78 +/- 1.28   0.320% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.40 +/- 0.96   0.435% *  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 = 3.17, residual support = 41.9:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.69 +/- 0.23  89.591% * 99.5527% (0.95  10.0 10.00   3.17  41.92) =  99.993%  kept
          HB2   MET   96 - HA    ASP- 105   8.27 +/- 1.46   6.663% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          HG2   GLU- 100 - HA    ASP- 105  13.67 +/- 1.45   0.826% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    ASP- 105  20.63 +/- 2.24   0.238% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.91 +/- 2.48   0.905% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  12.87 +/- 3.02   1.129% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  19.56 +/- 1.63   0.272% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.33 +/- 1.84   0.148% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.58 +/- 1.96   0.228% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.17, residual support = 41.9:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.69 +/- 0.23  99.118% * 99.7814% (0.95  10.0 10.00   3.17  41.92) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  19.98 +/- 2.88   0.367% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  25.01 +/- 1.33   0.133% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  23.70 +/- 1.48   0.162% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  21.91 +/- 2.30   0.220% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 0.996, support = 6.27, residual support = 131.3:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.32 +/- 0.16  83.614% * 81.7454% (1.00  10.0 10.00   6.31 134.30) =  97.291%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.82 +/- 0.46  10.773% * 17.6384% (0.87   1.0  1.00   4.97  24.63) =   2.705%  kept
          HB    ILE  103 - HA    LYS+ 106   7.75 +/- 1.40   2.738% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HA    LYS+ 106  14.97 +/- 1.62   0.361% *  0.0801% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  16.88 +/- 2.91   0.397% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  14.87 +/- 2.29   0.377% *  0.0625% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  17.51 +/- 1.96   0.228% *  0.0816% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  19.38 +/- 1.61   0.169% *  0.0773% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  20.34 +/- 2.15   0.134% *  0.0683% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  14.46 +/- 1.31   0.393% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.25 +/- 1.59   0.163% *  0.0496% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.75 +/- 1.35   0.196% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.85 +/- 3.70   0.457% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 134.3:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.38 +/- 0.51  94.001% * 98.2431% (1.00  10.0 10.00   5.10 134.30) =  99.984%  kept
        T QG    LYS+  81 - HA    LYS+ 106  17.37 +/- 2.22   1.013% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   LYS+  33 - HA    LYS+ 106  20.57 +/- 1.60   0.504% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HA    LYS+ 106  12.43 +/- 2.54   3.742% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    LYS+ 106  17.89 +/- 1.82   0.740% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.8, residual support = 134.2:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.67 +/- 0.63  76.070% * 98.5750% (1.00 10.00   4.80 134.30) =  99.926%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.40 +/- 1.45   4.701% *  0.9836% (1.00 10.00   0.02   0.02) =   0.062%
          HB2   LEU   73 - HA    LYS+ 106  15.83 +/- 2.50   1.676% *  0.0932% (0.95  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    LYS+ 106  13.88 +/- 1.15   1.848% *  0.0823% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HA    LYS+ 106  10.78 +/- 0.99   4.058% *  0.0370% (0.38  1.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106  12.28 +/- 1.87   2.907% *  0.0480% (0.49  1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HA    LYS+ 106  14.15 +/- 1.98   1.874% *  0.0716% (0.73  1.00   0.02   0.02) =   0.002%
          QD    LYS+ 102 - HA    LYS+ 106  11.41 +/- 1.58   3.901% *  0.0246% (0.25  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 106  13.65 +/- 0.84   1.796% *  0.0405% (0.41  1.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 106  16.78 +/- 3.71   1.169% *  0.0442% (0.45  1.00   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 5.13, residual support = 118.1:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.32 +/- 0.83  48.766% * 86.4065% (1.00 10.00   5.26 134.30) =  86.780%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.51 +/- 0.78  47.742% * 13.4407% (0.73  1.00   4.28  11.80) =  13.215%  kept
          HB3   PHE   60 - HA    LYS+ 106  13.51 +/- 2.08   2.080% *  0.0817% (0.95  1.00   0.02   0.02) =   0.004%
          HB3   TRP   27 - HA    LYS+ 106  17.02 +/- 1.70   0.882% *  0.0594% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    LYS+ 106  20.11 +/- 2.00   0.530% *  0.0117% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 134.3:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.32 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   6.31 134.30) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 134.3:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.32 +/- 0.12  97.828% * 98.2431% (1.00  10.0 10.00   5.39 134.30) =  99.994%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.46 +/- 2.11   0.407% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  33 - QB    LYS+ 106  19.07 +/- 2.05   0.202% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QB    LYS+ 106  11.71 +/- 2.46   1.286% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  17.13 +/- 1.50   0.278% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 134.3:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.23 +/- 0.13  91.897% * 97.1433% (1.00  10.0 10.00   5.07 134.30) =  99.966%  kept
        T QD    LYS+  99 - QB    LYS+ 106  10.76 +/- 1.89   1.880% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.020%
        T HD2   LYS+ 111 - QB    LYS+ 106  12.98 +/- 2.00   0.757% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   ILE   56 - QB    LYS+ 106  12.21 +/- 1.60   0.696% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   LEU  123 - QB    LYS+ 106  16.35 +/- 3.48   0.419% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  99 - QB    LYS+ 106  10.24 +/- 1.37   1.282% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QB    LYS+ 106  12.74 +/- 1.31   0.550% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QB    LYS+ 106   9.69 +/- 1.79   1.650% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  15.13 +/- 2.01   0.363% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.80 +/- 0.76   0.506% *  0.0399% (0.41   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 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.934, support = 4.76, residual support = 104.9:
    *   T QE    LYS+ 106 - QB    LYS+ 106   3.09 +/- 0.59  67.960% * 57.8731% (1.00 10.00   5.54 134.30) =  75.983%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.11 +/- 1.21  29.580% * 42.0245% (0.73 10.00   2.31  11.80) =  24.015%  kept
          HB3   PHE   60 - QB    LYS+ 106  13.57 +/- 1.81   1.305% *  0.0547% (0.95  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - QB    LYS+ 106  15.86 +/- 1.76   0.700% *  0.0398% (0.69  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - QB    LYS+ 106  18.38 +/- 2.18   0.455% *  0.0078% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 134.3:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.38 +/- 0.51  98.409% * 99.1803% (1.00  10.0 10.00   5.10 134.30) =  99.994%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.57 +/- 1.60   0.528% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LYS+ 106 - QG    LYS+  81  17.37 +/- 2.22   1.063% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.743, support = 5.36, residual support = 135.2:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.32 +/- 0.12  25.921% * 48.8361% (1.00  10.0 10.00   5.39 134.30) =  52.179%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.28 +/- 0.10  27.215% * 28.0174% (0.57  10.0 10.00   5.63 154.33) =  31.429%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.03  35.464% * 10.7214% (0.22  10.0 10.00   4.76 104.66) =  15.672%  kept
          HB3   ASP- 105 - HG2   LYS+ 106   6.12 +/- 0.83   1.691% * 10.1411% (0.87   1.0  1.00   4.79  24.63) =   0.707%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.25 +/- 1.97   2.357% *  0.0391% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   68 - HG2   LYS+  33  17.13 +/- 4.18   1.904% *  0.0226% (0.46   1.0  1.00   0.02   0.02) =   0.002%
        T QB    LYS+  81 - HG2   LYS+ 106  17.93 +/- 2.52   0.070% *  0.4873% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.26 +/- 0.66   2.488% *  0.0122% (0.25   1.0  1.00   0.02   0.47) =   0.001%
        T QB    LYS+  33 - HG2   LYS+ 106  19.56 +/- 1.94   0.047% *  0.4620% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  81 - HG2   LYS+  33  19.61 +/- 3.68   0.057% *  0.2955% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - HG2   LYS+  33  19.07 +/- 2.05   0.052% *  0.2962% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 106 - QG    LYS+  81  15.46 +/- 2.11   0.105% *  0.1075% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.42 +/- 2.99   0.065% *  0.1016% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  18.57 +/- 3.98   0.163% *  0.0373% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   9.49 +/- 1.72   0.557% *  0.0105% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.54 +/- 2.29   0.116% *  0.0479% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.16 +/- 1.36   0.274% *  0.0180% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  17.54 +/- 2.10   0.069% *  0.0373% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.04 +/- 3.28   0.068% *  0.0237% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.09 +/- 2.34   0.055% *  0.0296% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.72 +/- 2.07   0.052% *  0.0257% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  11.91 +/- 3.17   0.428% *  0.0030% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  16.22 +/- 1.86   0.088% *  0.0136% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.95 +/- 2.02   0.029% *  0.0408% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.41 +/- 1.96   0.057% *  0.0201% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  18.05 +/- 2.86   0.081% *  0.0086% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.33 +/- 3.73   0.080% *  0.0075% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  26.68 +/- 2.49   0.018% *  0.0290% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.94 +/- 2.14   0.022% *  0.0226% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  20.33 +/- 3.92   0.056% *  0.0090% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.25 +/- 3.38   0.019% *  0.0247% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  16.09 +/- 3.79   0.099% *  0.0044% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  19.94 +/- 2.35   0.046% *  0.0093% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  20.64 +/- 2.89   0.044% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  23.45 +/- 2.86   0.030% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  24.88 +/- 4.00   0.037% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.75 +/- 1.89   0.018% *  0.0082% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.63 +/- 2.50   0.027% *  0.0046% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.88 +/- 2.27   0.030% *  0.0017% (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 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 = 0.999, support = 4.17, residual support = 134.2:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.38 +/- 0.15  80.845% * 96.6493% (1.00  10.0 10.00   4.18 134.30) =  99.930%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.06 +/- 2.53   4.714% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.058%
        T QD    LYS+  99 - HG2   LYS+  33  13.90 +/- 2.22   0.511% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 106 - HG2   LYS+  33  19.62 +/- 1.97   0.162% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HG2   LYS+ 106  10.40 +/- 2.10   2.416% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - QG    LYS+  81  15.78 +/- 2.35   0.393% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+  33  11.40 +/- 3.19   1.241% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 106   9.84 +/- 2.04   2.083% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - QG    LYS+  81  20.64 +/- 2.69   0.166% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  15.97 +/- 2.60   0.396% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  17.18 +/- 2.26   0.291% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  15.79 +/- 1.68   0.323% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.40 +/- 3.22   1.332% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  14.68 +/- 1.76   0.419% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  26.04 +/- 6.46   0.629% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.48 +/- 4.46   0.937% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  15.87 +/- 1.44   0.309% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  18.76 +/- 4.30   0.264% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  15.38 +/- 2.45   0.377% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  14.22 +/- 1.33   0.412% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.29 +/- 2.36   0.532% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.35 +/- 1.87   0.122% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.02 +/- 1.58   0.066% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  17.76 +/- 2.42   0.227% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  21.33 +/- 3.43   0.151% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.46 +/- 3.50   0.047% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  18.98 +/- 3.08   0.357% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.97 +/- 2.18   0.072% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  21.57 +/- 2.58   0.143% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  27.30 +/- 2.93   0.062% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 0.995, support = 4.58, residual support = 132.3:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.57 +/- 0.41  74.700% * 91.8201% (1.00  10.0 10.00   4.62 134.30) =  98.331%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.35 +/- 1.46  16.409% *  7.0693% (0.73   1.0  1.00   2.12  11.80) =   1.663%  kept
        T QE    LYS+ 106 - HG2   LYS+  33  19.55 +/- 2.34   0.232% *  0.5569% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 106 - QG    LYS+  81  16.37 +/- 2.51   0.552% *  0.2020% (0.22   1.0 10.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HG2   LYS+  33   9.67 +/- 1.04   1.845% *  0.0383% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HG2   LYS+ 106  16.00 +/- 2.24   0.419% *  0.0869% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   8.23 +/- 0.73   2.871% *  0.0075% (0.08   1.0  1.00   0.02   5.55) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  17.96 +/- 2.09   0.284% *  0.0631% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  12.95 +/- 3.98   0.961% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.65 +/- 2.44   0.241% *  0.0527% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.91 +/- 1.91   0.295% *  0.0404% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  17.94 +/- 2.72   0.344% *  0.0191% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  18.77 +/- 1.99   0.307% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.65 +/- 2.61   0.232% *  0.0124% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.16 +/- 4.75   0.308% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 134.2:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.67 +/- 0.63  94.144% * 99.1942% (0.99 10.00   4.80 134.30) =  99.949%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.40 +/- 1.45   5.856% *  0.8058% (0.81 10.00   0.02   0.02) =   0.051%
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.989, support = 5.06, residual support = 133.1:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.23 +/- 0.13  74.740% * 82.7951% (0.99  10.0 10.00   5.07 134.30) =  98.895%  kept
          HB3   ASP- 105 - QD    LYS+ 106   6.52 +/- 0.88   4.670% * 14.3107% (0.86   1.0  1.00   3.99  24.63) =   1.068%  kept
        T QB    LYS+ 106 - QD    LYS+  99  10.76 +/- 1.89   1.537% *  0.6726% (0.81   1.0 10.00   0.02   0.02) =   0.017%
          HB    ILE  103 - QD    LYS+ 106   6.15 +/- 2.03   7.398% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.008%
        T HB    ILE   56 - QD    LYS+ 106  16.09 +/- 1.96   0.228% *  0.6327% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - QD    LYS+  99   7.64 +/- 2.33   3.367% *  0.0408% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HB    ILE   56 - QD    LYS+  99  19.34 +/- 3.40   0.265% *  0.5140% (0.62   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD    LYS+  99   9.00 +/- 1.36   1.392% *  0.0583% (0.70   1.0  1.00   0.02   0.44) =   0.001%
          HB    ILE  103 - QD    LYS+  99   9.76 +/- 0.87   0.965% *  0.0539% (0.64   1.0  1.00   0.02   0.30) =   0.001%
          HG3   PRO   68 - QD    LYS+  99  12.52 +/- 2.77   0.794% *  0.0514% (0.62   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - QD    LYS+ 106  13.06 +/- 1.93   0.470% *  0.0812% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QD    LYS+  99  13.00 +/- 2.07   0.558% *  0.0636% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD    LYS+ 106  17.82 +/- 3.29   0.506% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QD    LYS+ 106  15.84 +/- 2.26   0.263% *  0.0826% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.27 +/- 1.82   0.149% *  0.0783% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  20.38 +/- 2.87   0.149% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.29 +/- 1.97   0.343% *  0.0277% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  18.76 +/- 5.13   0.811% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  14.10 +/- 1.86   0.365% *  0.0230% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.25 +/- 1.96   0.164% *  0.0502% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  23.92 +/- 4.52   0.126% *  0.0562% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  20.72 +/- 1.93   0.102% *  0.0692% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.22 +/- 1.95   0.180% *  0.0340% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  22.56 +/- 1.60   0.080% *  0.0659% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.01 +/- 3.66   0.301% *  0.0128% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.44 +/- 1.33   0.078% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.17, residual support = 134.2:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.38 +/- 0.15  91.277% * 96.1045% (0.99  10.0 10.00   4.18 134.30) =  99.940%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.06 +/- 2.53   5.349% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.048%
        T QG    LYS+  81 - QD    LYS+ 106  15.78 +/- 2.35   0.444% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.005%
        T HG2   LYS+  33 - QD    LYS+  99  13.90 +/- 2.22   0.577% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.004%
        T QG    LYS+  81 - QD    LYS+  99  20.64 +/- 2.69   0.187% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  33 - QD    LYS+ 106  19.62 +/- 1.97   0.183% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QD    LYS+ 106  12.78 +/- 2.85   1.148% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.91 +/- 2.84   0.377% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  18.34 +/- 1.91   0.248% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  20.40 +/- 3.07   0.208% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 3.4, residual support = 133.7:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  78.788% * 92.9128% (0.99  10.0 10.00   3.41 134.30) =  99.530%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.17 +/- 1.07   4.288% *  5.9799% (0.72   1.0  1.00   1.77  11.80) =   0.349%  kept
        T QE    LYS+ 106 - QD    LYS+  99  10.38 +/- 2.56  11.374% *  0.7548% (0.81   1.0 10.00   0.02   0.02) =   0.117%  kept
          HB3   PHE   60 - QD    LYS+  99  15.95 +/- 4.53   2.344% *  0.0714% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.87 +/- 0.83   1.700% *  0.0548% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    LYS+ 106  15.02 +/- 1.67   0.238% *  0.0879% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.66 +/- 2.19   0.183% *  0.0638% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.15 +/- 1.80   0.198% *  0.0518% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.02 +/- 1.84   0.750% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.44 +/- 2.53   0.136% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.26, residual support = 134.3:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.32 +/- 0.83 100.000% *100.0000% (1.00 10.00   5.26 134.30) = 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 = 0.973, support = 5.17, residual support = 112.0:
    *   T QB    LYS+ 106 - QE    LYS+ 106   3.09 +/- 0.59  55.385% * 53.2386% (1.00 10.00   5.54 134.30) =  79.725%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.13 +/- 1.18  16.122% * 46.1807% (0.87 10.00   3.76  24.63) =  20.131%  kept
          HB    ILE  103 - QE    LYS+ 106   5.58 +/- 1.94  23.356% *  0.2220% (0.80  1.00   0.10   0.02) =   0.140%  kept
          HB3   GLN   90 - QE    LYS+ 106  14.00 +/- 2.08   0.671% *  0.0522% (0.98  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QE    LYS+ 106  16.42 +/- 2.36   0.527% *  0.0531% (1.00  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+ 106  18.06 +/- 3.21   0.678% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QE    LYS+ 106  16.79 +/- 1.97   0.478% *  0.0407% (0.76  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - QE    LYS+ 106  18.16 +/- 2.07   0.323% *  0.0504% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.80 +/- 2.31   0.388% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  21.55 +/- 2.01   0.219% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.38 +/- 2.21   0.373% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.49 +/- 3.96   0.976% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  15.15 +/- 1.85   0.504% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 134.3:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.57 +/- 0.41  96.962% * 98.2431% (1.00  10.0 10.00   4.62 134.30) =  99.990%  kept
        T QG    LYS+  81 - QE    LYS+ 106  16.37 +/- 2.51   0.711% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.007%
        T HG2   LYS+  33 - QE    LYS+ 106  19.55 +/- 2.34   0.311% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - QE    LYS+ 106  13.71 +/- 3.21   1.662% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  19.04 +/- 2.25   0.354% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.41, residual support = 134.1:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  81.466% * 98.5861% (0.99  10.0 10.00   3.41 134.30) =  99.852%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.38 +/- 2.56  11.709% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.144%  kept
          HB3   LYS+  99 - QE    LYS+ 106   9.91 +/- 2.11   2.140% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QE    LYS+ 106   8.44 +/- 1.91   3.046% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QE    LYS+ 106  14.96 +/- 2.82   0.390% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  14.88 +/- 1.70   0.269% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  16.57 +/- 2.08   0.198% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  14.14 +/- 1.68   0.305% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  15.06 +/- 1.78   0.283% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  17.56 +/- 4.02   0.193% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HB    VAL  107 - HA    VAL  107   2.80 +/- 0.27  93.095% * 99.6302% (0.73  10.0 10.00   3.31  60.22) =  99.997%  kept
          QE    LYS+ 112 - HA    VAL  107   9.62 +/- 1.08   2.700% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HA    VAL  107  11.67 +/- 1.36   1.472% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - HA    VAL  107  19.36 +/- 2.35   0.416% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107  10.62 +/- 1.20   1.831% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.81 +/- 1.53   0.187% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.46 +/- 1.21   0.299% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.2:
    * O T HA    VAL  107 - HB    VAL  107   2.80 +/- 0.27  92.626% * 99.7511% (0.73  10.0 10.00   3.31  60.22) =  99.997%  kept
          HA    ALA  110 - HB    VAL  107   8.99 +/- 1.62   4.473% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB    VAL  107  13.44 +/- 1.23   0.952% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    TRP   27 - HB    VAL  107  19.32 +/- 1.02   0.315% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  15.92 +/- 2.61   0.876% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  14.57 +/- 1.10   0.758% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 65.1:
    * O T HB    VAL  108 - HA    VAL  108   2.76 +/- 0.29  92.177% * 99.4465% (1.00  10.0 10.00   3.59  65.12) =  99.993%  kept
          HB2   PRO   93 - HA    VAL  108   8.63 +/- 2.44   5.618% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE  119 - HA    VAL  108  14.40 +/- 2.06   0.809% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    VAL  108  17.76 +/- 2.26   0.439% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  22.24 +/- 1.75   0.205% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.00 +/- 1.31   0.202% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  23.61 +/- 1.47   0.167% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  21.74 +/- 2.58   0.310% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  35.06 +/- 5.50   0.072% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.1:
    * O T QG1   VAL  108 - HA    VAL  108   2.67 +/- 0.11  97.153% * 99.8607% (1.00  10.0 10.00   3.97  65.12) =  99.999%  kept
          HB3   LEU   63 - HA    VAL  108  15.51 +/- 2.41   0.640% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.75 +/- 1.28   0.798% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.13 +/- 2.79   0.937% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  16.83 +/- 2.46   0.472% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.45 +/- 0.48  94.244% * 99.7938% (1.00  10.0 10.00   3.30  65.12) =  99.997%  kept
          HG3   LYS+ 112 - HA    VAL  108   9.45 +/- 1.35   3.612% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HA    VAL  108  11.67 +/- 1.56   1.467% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    VAL  108  14.01 +/- 0.57   0.677% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.96 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.58, residual support = 64.8:
    * O T HA    VAL  108 - HB    VAL  108   2.76 +/- 0.29  85.654% * 96.1481% (1.00  10.0 10.00   3.59  65.12) =  99.498%  kept
          HA1   GLY  109 - HB    VAL  108   5.68 +/- 0.28  11.146% *  3.7058% (0.31   1.0  1.00   2.50   7.41) =   0.499%  kept
          HA    ALA   47 - HB    VAL  108  16.35 +/- 3.54   2.276% *  0.0942% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   50 - HB    VAL  108  18.61 +/- 3.17   0.477% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  20.75 +/- 4.16   0.447% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 65.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  98.222% * 99.8607% (1.00  10.0 10.00   3.75  65.12) =  99.999%  kept
          HB3   LEU   63 - HB    VAL  108  16.65 +/- 2.68   0.291% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  13.70 +/- 1.78   0.487% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.78 +/- 3.37   0.793% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  17.70 +/- 2.37   0.208% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.13 +/- 0.00  98.308% * 99.1471% (1.00  10.0 10.00   3.30  65.12) =  99.995%  kept
        T QD1   ILE  119 - HB    VAL  108  12.81 +/- 1.82   0.567% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - HB    VAL  108  13.18 +/- 0.58   0.428% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  11.76 +/- 1.34   0.697% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.983, support = 3.95, residual support = 63.7:
    * O T HA    VAL  108 - QG1   VAL  108   2.67 +/- 0.11  62.332% * 95.2118% (1.00  10.0 10.00   3.97  65.12) =  97.560%  kept
          HA1   GLY  109 - QG1   VAL  108   3.42 +/- 0.32  31.868% *  4.6436% (0.31   1.0  1.00   3.16   7.41) =   2.433%  kept
          HA    ALA   47 - QG1   VAL  108  13.59 +/- 3.24   4.007% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          HA    CYS   50 - QG1   VAL  108  15.50 +/- 2.91   0.793% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  17.15 +/- 4.01   1.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 65.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  95.213% * 99.4465% (1.00  10.0 10.00   3.75  65.12) =  99.996%  kept
          HB2   PRO   93 - QG1   VAL  108   9.14 +/- 2.15   3.195% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - QG1   VAL  108  13.99 +/- 2.13   0.565% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG1   VAL  108  16.72 +/- 2.02   0.268% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.25 +/- 1.29   0.136% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  20.10 +/- 1.66   0.121% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.07 +/- 3.15   0.360% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  21.28 +/- 1.39   0.100% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  31.05 +/- 4.73   0.041% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.08 +/- 0.02  97.844% * 99.7938% (1.00  10.0 10.00   3.44  65.12) =  99.999%  kept
          QD1   ILE  119 - QG1   VAL  108  11.55 +/- 1.47   0.707% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QG1   VAL  108  12.94 +/- 0.48   0.415% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108   9.99 +/- 1.11   1.034% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 3.29, residual support = 64.8:
    * O T HA    VAL  108 - QG2   VAL  108   2.45 +/- 0.48  81.815% * 96.3200% (1.00  10.0 10.00   3.30  65.12) =  99.387%  kept
          HA1   GLY  109 - QG2   VAL  108   5.11 +/- 0.25  13.656% *  3.5337% (0.31   1.0  1.00   2.38   7.41) =   0.609%  kept
          HA    ALA   47 - QG2   VAL  108  13.08 +/- 2.82   2.835% *  0.0944% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HA    CYS   50 - QG2   VAL  108  15.22 +/- 2.66   0.820% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.90 +/- 3.47   0.874% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.13 +/- 0.00  95.903% * 98.6316% (1.00  10.0 10.00   3.30  65.12) =  99.987%  kept
        T HB    ILE  119 - QG2   VAL  108  13.32 +/- 2.42   1.134% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.011%
          HB2   PRO   93 - QG2   VAL  108   8.73 +/- 1.76   1.912% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - QG2   VAL  108  16.52 +/- 1.85   0.244% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.26 +/- 1.25   0.192% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  18.30 +/- 1.99   0.170% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  19.50 +/- 1.65   0.135% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  18.59 +/- 2.70   0.259% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  29.45 +/- 4.67   0.052% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.08 +/- 0.02  97.756% * 99.8607% (1.00  10.0 10.00   3.44  65.12) =  99.999%  kept
          QD1   LEU   40 - QG2   VAL  108  11.27 +/- 1.36   0.786% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  13.75 +/- 2.11   0.433% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.73 +/- 2.25   0.682% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  14.51 +/- 2.19   0.343% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.34:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  98.650% * 98.9563% (1.00  10.0 10.00   2.00   9.34) =  99.995%  kept
        T HB2   TRP   49 - HA1   GLY  109  18.59 +/- 4.52   0.562% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.005%
          HA    THR  118 - HA1   GLY  109  13.56 +/- 3.27   0.472% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.55 +/- 3.27   0.153% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  16.09 +/- 2.38   0.163% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 9.33:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  93.127% * 94.0054% (1.00  10.0 10.00   2.00   9.34) =  99.728%  kept
          HA    VAL  108 - HA2   GLY  109   4.41 +/- 0.04   5.860% *  3.9865% (0.31   1.0  1.00   2.75   7.41) =   0.266%  kept
        T HA    TRP   49 - HA2   GLY  109  18.99 +/- 4.75   0.272% *  0.9072% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HA    CYS   50 - HA2   GLY  109  16.78 +/- 3.41   0.217% *  0.9380% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   47 - HA2   GLY  109  15.65 +/- 3.35   0.440% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.38 +/- 1.25   0.053% *  0.0458% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  26.41 +/- 2.36   0.030% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.02  97.513% * 98.4934% (1.00  10.0 10.00   1.31   9.58) =  99.994%  kept
        T QB    ALA   61 - HA    ALA  110  15.21 +/- 3.01   0.533% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.005%
          QG    LYS+  66 - HA    ALA  110  18.92 +/- 3.83   0.546% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  17.00 +/- 3.16   0.252% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  21.51 +/- 3.63   0.122% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  20.90 +/- 3.32   0.144% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  21.23 +/- 5.08   0.261% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.47 +/- 4.08   0.152% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  21.02 +/- 3.73   0.144% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  25.69 +/- 3.60   0.067% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.60 +/- 1.70   0.191% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.96 +/- 2.11   0.074% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 1.31, residual support = 9.57:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.02  81.402% * 94.7297% (1.00  10.0 10.00   1.31   9.58) =  99.908%  kept
          HA    PHE   55 - QB    ALA   61   9.82 +/- 1.77   1.495% *  4.1962% (0.64   1.0  1.00   1.38   0.02) =   0.081%
        T HA    ALA  110 - QB    ALA   61  15.21 +/- 3.01   0.444% *  0.7010% (0.74   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL  107 - QB    ALA  110   7.48 +/- 1.62   6.933% *  0.0292% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   55 - QB    ALA  110  12.80 +/- 3.69   0.950% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA  110  12.84 +/- 3.26   0.748% *  0.0929% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QB    ALA   61  10.98 +/- 2.80   3.373% *  0.0195% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QB    ALA  110  10.29 +/- 3.71   3.261% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QB    ALA   61  16.65 +/- 2.87   0.225% *  0.0687% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.67 +/- 2.58   0.639% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  15.30 +/- 1.94   0.255% *  0.0263% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.82 +/- 2.86   0.275% *  0.0139% (0.15   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 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.96, residual support = 313.9:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.67 +/- 0.32  81.540% * 97.1987% (1.00  10.0 10.00   7.98 315.10) =  99.629%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.87 +/- 0.58  16.233% *  1.8065% (0.57   1.0  1.00   0.66   1.54) =   0.369%  kept
        T HG3   GLN   30 - HA    LYS+ 111  26.24 +/- 2.35   0.108% *  0.4731% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HA    LYS+ 111  22.07 +/- 3.66   0.324% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+ 111  13.36 +/- 1.12   0.757% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  25.47 +/- 4.03   0.145% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  26.65 +/- 3.62   0.123% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  21.13 +/- 3.78   0.278% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  28.92 +/- 3.75   0.119% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.32 +/- 3.16   0.156% *  0.0473% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.20 +/- 2.35   0.132% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.18 +/- 1.60   0.086% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.3, residual support = 315.1:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.16 +/- 0.45  76.889% * 99.2615% (1.00  10.0 10.00   7.31 315.10) =  99.988%  kept
          HB3   PRO   93 - HA    LYS+ 111   7.92 +/- 3.35  15.545% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HA    LYS+ 111  13.57 +/- 2.19   1.432% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    LYS+ 111  15.04 +/- 2.21   1.067% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HA    LYS+ 111  14.84 +/- 2.43   1.022% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    LYS+ 111  20.48 +/- 3.28   0.362% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  15.51 +/- 2.56   0.824% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.04 +/- 2.63   1.637% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  20.01 +/- 1.36   0.358% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.18 +/- 1.79   0.216% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.62 +/- 2.22   0.374% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  25.65 +/- 2.13   0.164% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.22 +/- 2.53   0.112% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 7.28, residual support = 309.5:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.96 +/- 0.84  80.805% * 89.7226% (1.00  10.0 10.00   7.31 315.10) =  98.040%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.42 +/- 0.86  14.864% *  9.7263% (0.38   1.0  1.00   5.78  28.63) =   1.955%  kept
        T HG2   LYS+  74 - HA    LYS+ 111  18.46 +/- 2.52   0.566% *  0.3367% (0.38   1.0 10.00   0.02   0.02) =   0.003%
          HG12  ILE   89 - HA    LYS+ 111  14.47 +/- 2.62   1.415% *  0.0889% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HA    LYS+ 111  22.51 +/- 5.23   0.893% *  0.0402% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  22.68 +/- 5.47   0.908% *  0.0369% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  23.99 +/- 1.54   0.265% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.78 +/- 3.27   0.283% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 314.9:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.60 +/- 0.70  63.770% * 98.3525% (1.00 10.00   6.21 315.10) =  99.944%  kept
          HG3   PRO   93 - HA    LYS+ 111   7.92 +/- 4.09  20.226% *  0.0853% (0.87  1.00   0.02   0.02) =   0.027%
          HB3   MET   92 - HA    LYS+ 111   9.81 +/- 3.18   8.997% *  0.0964% (0.98  1.00   0.02   0.02) =   0.014%
        T QD    LYS+ 102 - HA    LYS+ 111  21.99 +/- 2.08   0.402% *  0.6756% (0.69 10.00   0.02   0.02) =   0.004%
        T QD    LYS+  65 - HA    LYS+ 111  18.03 +/- 3.39   1.235% *  0.1518% (0.15 10.00   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HA    LYS+ 111  12.79 +/- 1.32   2.150% *  0.0714% (0.73  1.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HA    LYS+ 111  20.08 +/- 5.19   1.297% *  0.0882% (0.90  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HA    LYS+ 111  26.78 +/- 2.58   0.222% *  0.3036% (0.31 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HA    LYS+ 111  18.36 +/- 1.42   0.740% *  0.0882% (0.90  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 111  20.85 +/- 1.99   0.495% *  0.0676% (0.69  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  20.71 +/- 2.43   0.465% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   3.82 +/- 0.84  86.388% * 98.5544% (1.00 10.00   6.21 315.10) =  99.981%  kept
          QB    ALA   57 - HA    LYS+ 111  11.98 +/- 2.61   7.090% *  0.0983% (1.00  1.00   0.02   0.02) =   0.008%
        T QD    LYS+  65 - HA    LYS+ 111  18.03 +/- 3.39   1.607% *  0.2457% (0.25 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  33 - HA    LYS+ 111  26.45 +/- 2.25   0.325% *  0.8839% (0.90 10.00   0.02   0.02) =   0.003%
          HB3   LEU  123 - HA    LYS+ 111  19.57 +/- 1.66   1.068% *  0.0884% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+ 111  19.35 +/- 2.44   1.074% *  0.0823% (0.84  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  15.64 +/- 1.14   1.636% *  0.0274% (0.28  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+ 111  20.71 +/- 2.43   0.813% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.46 +/- 0.44  95.356% * 99.8490% (1.00 10.00   5.62 315.10) =  99.996%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.28 +/- 2.82   4.222% *  0.0945% (0.95  1.00   0.02   0.02) =   0.004%
          HB2   CYS   21 - HA    LYS+ 111  23.72 +/- 2.88   0.422% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.1:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.67 +/- 0.32  94.174% * 99.7221% (1.00  10.0 10.00   7.98 315.10) =  99.996%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.84 +/- 4.52   5.571% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 111 - HG3   GLN   30  26.24 +/- 2.35   0.125% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.47 +/- 2.58   0.130% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 0.997, support = 7.3, residual support = 314.1:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.84 +/- 0.23  78.252% * 94.3659% (1.00  10.0 10.00   7.31 315.10) =  99.625%  kept
          HB2   LEU   31 - HG3   GLN   30   7.39 +/- 0.78   5.927% *  4.6200% (0.20   1.0  1.00   4.92  51.69) =   0.369%  kept
          HB3   PRO   93 - HB2   LYS+ 111   9.60 +/- 2.83   3.869% *  0.0291% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HB2   LYS+ 111  15.55 +/- 1.95   0.655% *  0.0788% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HB2   LYS+ 111  14.70 +/- 1.99   0.712% *  0.0685% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   LYS+ 111  16.00 +/- 2.35   0.575% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  27.50 +/- 2.99   0.104% *  0.1897% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  13.92 +/- 4.15   1.078% *  0.0175% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.00 +/- 2.64   0.204% *  0.0871% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  16.89 +/- 2.27   0.466% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  24.46 +/- 2.80   0.161% *  0.0846% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  19.64 +/- 1.54   0.251% *  0.0534% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  13.92 +/- 1.82   0.824% *  0.0152% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.41 +/- 2.62   0.849% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  15.93 +/- 2.92   0.771% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.19 +/- 1.99   0.863% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.57 +/- 2.10   0.111% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  21.35 +/- 2.48   0.242% *  0.0423% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  23.09 +/- 5.98   0.721% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.77 +/- 2.60   0.445% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  14.72 +/- 3.14   0.766% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.67 +/- 3.10   0.075% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  15.65 +/- 2.88   0.593% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  18.96 +/- 2.78   0.323% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.13 +/- 2.41   0.913% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.99 +/- 2.55   0.249% *  0.0059% (0.06   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 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.996, support = 7.28, residual support = 313.3:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.79 +/- 0.21  68.701% * 88.4829% (1.00  10.0 10.00   7.29 315.10) =  99.388%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.83 +/- 0.86   3.590% * 10.1948% (0.38   1.0  1.00   6.14  28.63) =   0.598%  kept
        T HG2   LYS+  74 - HG3   GLN   30  11.52 +/- 2.86   6.362% *  0.0667% (0.08   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU   71 - HB2   LYS+ 111  23.15 +/- 5.57   0.267% *  0.3638% (0.41   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HB2   LYS+ 111  19.58 +/- 2.46   0.276% *  0.3321% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HG3   GLN   30   6.86 +/- 1.91  13.301% *  0.0035% (0.04   1.0  1.00   0.02   5.59) =   0.001%
          HG12  ILE   89 - HB2   LYS+ 111  15.98 +/- 2.14   0.513% *  0.0877% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG3   GLN   30   9.98 +/- 2.81   3.541% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.50 +/- 3.22   0.112% *  0.1751% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.56 +/- 2.86   0.084% *  0.1779% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   GLN   30  11.17 +/- 2.86   2.042% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.09 +/- 5.23   0.226% *  0.0397% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  19.33 +/- 3.20   0.288% *  0.0176% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  24.27 +/- 2.59   0.127% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  17.04 +/- 2.33   0.407% *  0.0061% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  22.63 +/- 3.35   0.161% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 315.0:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.78 +/- 0.63  70.407% * 97.6852% (1.00  10.0 10.00   6.62 315.10) =  99.972%  kept
          HG3   PRO   93 - HB2   LYS+ 111   9.57 +/- 3.72   7.807% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.010%
          HB3   MET   92 - HB2   LYS+ 111  11.56 +/- 2.91   2.405% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG3   GLN   30  17.71 +/- 4.30   1.469% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HB2   LYS+ 111  22.49 +/- 2.89   0.245% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   73 - HG3   GLN   30   7.61 +/- 3.45   9.125% *  0.0176% (0.18   1.0  1.00   0.02   3.60) =   0.002%
          QD    LYS+ 106 - HB2   LYS+ 111  13.32 +/- 2.30   1.454% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+ 111  18.54 +/- 3.12   0.524% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG3   GLN   30  13.89 +/- 1.94   0.933% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  14.54 +/- 2.50   1.462% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HB2   LYS+ 111  21.15 +/- 4.95   0.489% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB2   LYS+ 111  27.13 +/- 3.02   0.131% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   PRO   93 - HG3   GLN   30  22.80 +/- 2.67   0.204% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB2   LYS+ 111  17.89 +/- 1.49   0.366% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.29 +/- 3.19   0.118% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  21.06 +/- 2.91   0.304% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.43 +/- 6.02   0.425% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.51 +/- 2.20   0.525% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.20 +/- 2.06   0.243% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  19.06 +/- 1.81   0.272% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.77 +/- 2.08   0.186% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.79 +/- 4.46   0.906% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.976, support = 6.44, residual support = 305.7:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.03 +/- 0.41  56.417% * 91.4621% (1.00  10.0 10.00   6.62 315.10) =  97.014%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.72 +/- 1.05  22.894% *  6.9077% (0.18   1.0 10.00   0.84   0.47) =   2.973%  kept
          HD2   LYS+  74 - HG3   GLN   30  11.59 +/- 3.23  13.896% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.004%
          QB    ALA   57 - HB2   LYS+ 111  12.28 +/- 2.88   1.965% *  0.0913% (1.00   1.0  1.00   0.02   0.02) =   0.003%
        T QD    LYS+  65 - HB2   LYS+ 111  18.54 +/- 3.12   0.347% *  0.2281% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HB2   LYS+ 111  27.13 +/- 2.62   0.084% *  0.8203% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   GLN   30  14.54 +/- 2.50   0.648% *  0.0458% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HB2   LYS+ 111  19.09 +/- 1.66   0.283% *  0.0820% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  20.43 +/- 2.29   0.237% *  0.0764% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  26.10 +/- 6.33   0.830% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.71 +/- 3.11   0.072% *  0.1838% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  15.56 +/- 1.76   0.516% *  0.0254% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.94 +/- 2.82   0.321% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.79 +/- 4.46   0.934% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.20 +/- 2.06   0.158% *  0.0181% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  23.08 +/- 4.85   0.398% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.1:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.28 +/- 0.87  65.665% * 99.6189% (1.00 10.00   6.05 315.10) =  99.991%  kept
          HB2   CYS   21 - HG3   GLN   30   5.43 +/- 1.59  31.655% *  0.0113% (0.11  1.00   0.02   0.02) =   0.005%
          HB2   PHE   45 - HB2   LYS+ 111  13.90 +/- 2.36   1.585% *  0.0942% (0.95  1.00   0.02   0.02) =   0.002%
        T QE    LYS+ 111 - HG3   GLN   30  25.48 +/- 2.37   0.225% *  0.2002% (0.20 10.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB2   LYS+ 111  24.76 +/- 2.91   0.289% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  17.48 +/- 2.26   0.581% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.1:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.16 +/- 0.45  94.240% * 99.9354% (1.00  10.0 10.00   7.31 315.10) =  99.996%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.94 +/- 5.00   5.760% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 7.26, residual support = 312.4:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.84 +/- 0.23  74.629% * 96.2866% (1.00  10.0 10.00   7.31 315.10) =  99.137%  kept
          QB    GLU- 114 - HG2   LYS+ 111   5.73 +/- 1.55  22.859% *  2.7279% (0.57   1.0  1.00   1.00   1.54) =   0.860%  kept
          HB3   PRO   68 - HG2   LYS+ 111  23.30 +/- 4.25   0.582% *  0.0835% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG2   LYS+ 111  27.50 +/- 2.99   0.099% *  0.4687% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HG2   LYS+ 111  22.35 +/- 4.44   0.488% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  26.72 +/- 4.24   0.154% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+ 111  14.50 +/- 1.19   0.603% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  27.75 +/- 4.02   0.119% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  29.96 +/- 4.31   0.123% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.68 +/- 3.49   0.139% *  0.0469% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.46 +/- 2.82   0.117% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  28.21 +/- 2.81   0.087% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 6.98, residual support = 314.8:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  98.263% * 89.2937% (1.00  10.0 10.00   6.98 315.10) =  99.882%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.37 +/- 1.01   1.111% *  9.0871% (0.38   1.0  1.00   5.42  28.63) =   0.115%  kept
        T HG12  ILE   89 - HG2   LYS+ 111  15.63 +/- 2.58   0.236% *  0.8850% (0.99   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.77 +/- 3.02   0.104% *  0.3351% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.96 +/- 2.99   0.042% *  0.3046% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  24.01 +/- 5.94   0.110% *  0.0367% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  23.91 +/- 5.61   0.096% *  0.0400% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.13 +/- 3.57   0.037% *  0.0177% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 315.0:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.79 +/- 0.25  73.213% * 97.1375% (1.00  10.0 10.00   6.21 315.10) =  99.952%  kept
          HB3   MET   92 - HG2   LYS+ 111  11.13 +/- 3.62  16.214% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.022%
        T QD    LYS+ 106 - HG2   LYS+ 111  13.62 +/- 2.79   1.156% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.011%
          HG3   PRO   93 - HG2   LYS+ 111   9.26 +/- 4.01   7.648% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.009%
        T QD    LYS+  99 - HG2   LYS+ 111  21.69 +/- 3.23   0.227% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG2   LYS+ 111  22.91 +/- 3.27   0.171% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+ 111  19.23 +/- 3.09   0.348% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+ 111  21.54 +/- 5.25   0.505% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HG2   LYS+ 111  27.80 +/- 3.28   0.092% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  19.23 +/- 1.65   0.257% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.95 +/- 2.82   0.169% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.1:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.53 +/- 0.26  97.144% * 97.8296% (1.00  10.0 10.00   6.21 315.10) =  99.994%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  20.72 +/- 2.87   0.237% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG2   LYS+ 111  13.01 +/- 2.99   1.288% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+ 111  19.23 +/- 3.09   0.385% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG2   LYS+ 111  27.51 +/- 2.87   0.107% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HG2   LYS+ 111  20.41 +/- 1.74   0.223% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  16.80 +/- 1.70   0.407% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.95 +/- 2.82   0.209% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.80 +/- 0.49  98.288% * 99.8490% (1.00  10.0 10.00   5.62 315.10) =  99.998%  kept
          HB2   PHE   45 - HG2   LYS+ 111  13.69 +/- 2.75   1.513% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+ 111  25.01 +/- 3.41   0.199% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.1:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.96 +/- 0.84  90.518% * 99.8218% (1.00  10.0 10.00   7.31 315.10) =  99.994%  kept
          HA    PRO   52 - HG3   LYS+ 111  13.35 +/- 4.91   7.025% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+ 111 - HG2   LYS+  74  18.46 +/- 2.52   0.643% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   52 - HG2   LYS+  74  16.14 +/- 3.19   1.814% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 0.999, support = 7.28, residual support = 314.8:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.79 +/- 0.21  58.744% * 98.0611% (1.00  10.0 10.00   7.29 315.10) =  99.913%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.61 +/- 1.51  17.624% *  0.2417% (0.57   1.0  1.00   0.09   1.54) =   0.074%
        T HG3   GLN   30 - HG2   LYS+  74  11.52 +/- 2.86   5.208% *  0.0510% (0.05   1.0 10.00   0.02   0.02) =   0.005%
        T HB    ILE   19 - HG2   LYS+  74   9.18 +/- 3.36   4.320% *  0.0510% (0.05   1.0 10.00   0.02   8.38) =   0.004%
          HB3   PRO   68 - HG3   LYS+ 111  23.29 +/- 4.38   0.494% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG3   LYS+ 111  25.80 +/- 3.38   0.088% *  0.4773% (0.49   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HG3   LYS+ 111  27.56 +/- 2.86   0.067% *  0.4773% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG2   LYS+  74  14.56 +/- 3.74   2.591% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  19.58 +/- 2.46   0.240% *  0.1048% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  22.33 +/- 4.62   0.434% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  11.96 +/- 4.09   1.341% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.46 +/- 3.24   5.355% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  26.87 +/- 4.12   0.100% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  14.64 +/- 1.24   0.432% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  27.84 +/- 3.85   0.075% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  14.47 +/- 2.54   0.655% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.00 +/- 3.93   0.058% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.40 +/- 2.96   0.506% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  14.61 +/- 2.31   0.611% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.82 +/- 2.44   0.390% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.01 +/- 2.93   0.063% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  26.50 +/- 2.63   0.075% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.35 +/- 3.25   0.365% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.43 +/- 2.81   0.165% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.1:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  88.667% * 98.9181% (1.00  10.0 10.00   6.98 315.10) =  99.998%  kept
          HB3   PRO   93 - HG3   LYS+ 111   9.46 +/- 3.04   1.202% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+  74   7.07 +/- 2.58   3.816% *  0.0077% (0.08   1.0  1.00   0.02   5.16) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.11 +/- 2.32   0.185% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.55 +/- 2.56   0.148% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.77 +/- 3.02   0.094% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.04 +/- 2.83   1.115% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  20.72 +/- 3.53   0.111% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  15.31 +/- 2.31   0.178% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.66 +/- 2.45   0.083% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.69 +/- 2.01   0.604% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.62 +/- 3.13   0.060% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  16.29 +/- 2.42   0.145% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.07 +/- 2.76   0.301% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  14.67 +/- 2.72   0.356% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.96 +/- 3.27   0.040% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.85 +/- 1.60   0.057% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  21.59 +/- 3.05   0.064% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.81 +/- 2.54   0.028% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.72 +/- 1.20   1.364% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  11.99 +/- 2.70   0.553% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.31 +/- 3.45   0.019% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.69 +/- 1.38   0.334% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  16.01 +/- 2.91   0.230% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.85 +/- 2.08   0.179% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.90 +/- 3.57   0.068% *  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 = 0.997, support = 5.39, residual support = 314.3:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.72 +/- 0.22  65.124% * 94.6581% (1.00  10.0 10.00   5.40 315.10) =  99.726%  kept
          HB2   LEU   73 - HG2   LYS+  74   6.45 +/- 0.85   6.585% *  2.1623% (0.10   1.0  1.00   4.77  41.36) =   0.230%  kept
          HB3   MET   92 - HG3   LYS+ 111  10.91 +/- 3.56   9.718% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.015%
        T QD    LYS+ 106 - HG3   LYS+ 111  13.33 +/- 2.88   0.976% *  0.6874% (0.73   1.0 10.00   0.02   0.02) =   0.011%
          HG3   PRO   93 - HG3   LYS+ 111   9.16 +/- 4.04   7.383% *  0.0821% (0.87   1.0  1.00   0.02   0.02) =   0.010%
        T QD    LYS+  99 - HG3   LYS+ 111  21.53 +/- 3.34   0.164% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.73 +/- 3.29   0.143% *  0.6502% (0.69   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  65 - HG2   LYS+  74   9.66 +/- 3.02   3.960% *  0.0156% (0.02   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG3   LYS+ 111  21.56 +/- 5.15   0.487% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.37 +/- 3.19   0.253% *  0.1461% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 106 - HG2   LYS+  74  16.74 +/- 1.87   0.350% *  0.0735% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.35 +/- 2.27   0.368% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.73 +/- 3.42   0.073% *  0.2922% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.66 +/- 2.42   0.200% *  0.1012% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  19.40 +/- 1.70   0.208% *  0.0849% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.06 +/- 2.75   0.215% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  13.42 +/- 3.18   1.571% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  19.26 +/- 2.81   0.337% *  0.0312% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.74 +/- 3.01   0.716% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.76 +/- 2.51   0.152% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.58 +/- 2.14   0.836% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.33 +/- 3.80   0.181% *  0.0091% (0.10   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.93, support = 5.41, residual support = 305.3:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.80 +/- 0.27  47.909% * 89.7666% (1.00  10.0 10.00   5.40 315.10) =  92.361%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.88 +/- 0.13  44.331% *  8.0133% (0.09  10.0 10.00   5.54 186.67) =   7.629%  kept
        T HD2   LYS+  74 - HG3   LYS+ 111  20.84 +/- 2.55   0.142% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG2   LYS+  74  13.89 +/- 2.93   0.949% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG3   LYS+ 111  13.32 +/- 2.98   0.772% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG2   LYS+  74   9.66 +/- 3.02   2.579% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HG3   LYS+ 111  19.37 +/- 3.19   0.211% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - HG3   LYS+ 111  27.54 +/- 2.82   0.058% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.94 +/- 2.74   0.152% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74  11.44 +/- 3.53   1.312% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.58 +/- 1.82   0.126% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  16.85 +/- 1.81   0.249% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.76 +/- 2.51   0.132% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.58 +/- 2.14   0.724% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.20 +/- 3.97   0.130% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.83 +/- 3.48   0.223% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.1:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.54 +/- 0.43  87.652% * 99.7265% (1.00  10.0 10.00   5.44 315.10) =  99.998%  kept
          HB2   PHE   45 - HG3   LYS+ 111  13.58 +/- 2.65   0.837% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HG2   LYS+  74   8.64 +/- 2.79   8.499% *  0.0060% (0.06   1.0  1.00   0.02   8.01) =   0.001%
        T QE    LYS+ 111 - HG2   LYS+  74  18.64 +/- 2.23   0.308% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74  10.01 +/- 2.14   2.577% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  25.10 +/- 3.24   0.127% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.1:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.60 +/- 0.70  87.702% * 99.4172% (1.00 10.00   6.21 315.10) =  99.990%  kept
          HA    PRO   52 - HD2   LYS+ 111  13.78 +/- 5.14   5.778% *  0.0643% (0.65  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 111 - QD    LYS+  65  18.03 +/- 3.39   1.686% *  0.1523% (0.15 10.00   0.02   0.02) =   0.003%
        T HA    LYS+ 111 - QD    LYS+ 102  21.99 +/- 2.08   0.554% *  0.2599% (0.26 10.00   0.02   0.02) =   0.002%
          HA    PRO   52 - QD    LYS+  65  15.65 +/- 3.34   3.393% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  26.78 +/- 2.58   0.307% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.92 +/- 2.34   0.306% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  28.67 +/- 3.53   0.274% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 314.9:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.78 +/- 0.63  38.435% * 97.7622% (1.00  10.0 10.00   6.62 315.10) =  99.926%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.86 +/- 1.25   8.544% *  0.2410% (0.57   1.0  1.00   0.09   1.54) =   0.055%
        T HG3   GLN   30 - QD    LYS+ 102  17.71 +/- 4.30   0.803% *  0.1244% (0.13   1.0 10.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QD    LYS+  65   8.66 +/- 3.10   6.125% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - HD2   LYS+ 111  23.62 +/- 4.70   0.638% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - QD    LYS+  65  14.54 +/- 2.50   0.637% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD    LYS+  65  11.05 +/- 2.31   6.284% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  18.54 +/- 3.12   0.253% *  0.1498% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD    LYS+  65  11.90 +/- 3.31   2.438% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   9.48 +/- 1.89   2.569% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+ 102  22.49 +/- 2.89   0.114% *  0.2556% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  65   9.34 +/- 2.41   4.481% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   7.05 +/- 3.20  12.448% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD2   LYS+ 111  28.29 +/- 3.19   0.050% *  0.4759% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HD2   LYS+ 111  22.69 +/- 4.79   0.412% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  13.89 +/- 1.94   0.452% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.02 +/- 3.41   2.520% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   8.17 +/- 1.72   2.223% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.20 +/- 4.75   2.046% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  20.02 +/- 4.58   0.336% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  14.96 +/- 1.37   0.331% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  12.62 +/- 4.54   0.975% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  27.43 +/- 4.13   0.071% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  16.80 +/- 3.66   0.788% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  28.29 +/- 4.07   0.055% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.84 +/- 4.84   0.202% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  30.79 +/- 4.41   0.052% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.13 +/- 3.02   0.060% *  0.0736% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.81 +/- 3.22   1.445% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.89 +/- 3.36   0.156% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.55 +/- 4.11   0.285% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.39 +/- 2.54   0.159% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  17.66 +/- 2.51   0.231% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.49 +/- 3.53   0.064% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.70 +/- 2.27   0.323% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.78 +/- 3.03   0.180% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.63 +/- 1.92   0.631% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  19.60 +/- 2.54   0.178% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.98 +/- 1.84   0.501% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.66 +/- 2.72   0.049% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  15.57 +/- 2.99   0.355% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.22 +/- 2.89   0.055% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.82 +/- 2.47   0.140% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.83 +/- 3.29   0.139% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.07 +/- 1.38   0.437% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.86 +/- 2.58   0.111% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.84 +/- 2.34   0.110% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  21.93 +/- 3.65   0.109% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.914, support = 6.16, residual support = 306.3:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.79 +/- 0.25  27.562% * 90.8110% (1.00  10.0 10.00   6.21 315.10) =  90.884%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.33 +/- 0.15  45.463% *  5.4729% (0.06  10.0 10.00   5.75 220.28) =   9.034%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  10.36 +/- 3.57   4.072% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.041%
        T HG2   LYS+  38 - QD    LYS+ 102  13.32 +/- 3.59   2.003% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.014%
        T HG2   LYS+  99 - QD    LYS+  38   7.52 +/- 2.58   3.495% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  99 - QD    LYS+ 102   9.25 +/- 1.31   0.917% *  0.2129% (0.23   1.0 10.00   0.02   1.62) =   0.007%
          HB2   LEU   31 - QD    LYS+ 102  12.77 +/- 5.37   2.225% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.57 +/- 2.95   0.042% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    LYS+  65   7.74 +/- 1.19   2.159% *  0.0116% (0.13   1.0  1.00   0.02   3.06) =   0.001%
          HG    LEU   98 - QD    LYS+ 102   7.55 +/- 1.33   1.795% *  0.0106% (0.12   1.0  1.00   0.02   2.15) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.23 +/- 3.09   0.121% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  20.05 +/- 2.93   0.150% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.85 +/- 3.71   0.022% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+ 111  16.02 +/- 2.56   0.233% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+ 102  22.91 +/- 3.27   0.063% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65  11.20 +/- 3.45   1.309% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  19.35 +/- 2.55   0.098% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  17.24 +/- 2.19   0.135% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.78 +/- 2.09   1.427% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.98 +/- 2.77   0.212% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  22.59 +/- 3.51   0.068% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.09 +/- 2.87   0.154% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  21.12 +/- 1.74   0.067% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  13.37 +/- 2.44   0.321% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.85 +/- 2.27   0.243% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.09 +/- 2.53   1.107% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  17.65 +/- 3.26   0.145% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.52 +/- 2.83   0.033% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  22.37 +/- 2.85   0.063% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  16.79 +/- 2.09   0.140% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.97 +/- 2.93   0.301% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.30 +/- 3.13   0.184% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.80 +/- 3.28   0.031% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.81 +/- 3.34   0.956% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.77 +/- 2.11   0.102% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.52 +/- 3.81   0.433% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  19.40 +/- 5.68   0.131% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.22 +/- 2.20   0.118% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.31 +/- 2.61   0.201% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.79 +/- 3.20   0.243% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.28 +/- 2.86   0.175% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  17.73 +/- 2.66   0.159% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.69 +/- 3.88   0.132% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  18.30 +/- 6.53   0.208% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  20.79 +/- 3.53   0.107% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.45 +/- 2.26   0.164% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.52 +/- 1.90   0.074% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  18.43 +/- 1.18   0.097% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.32 +/- 1.59   0.072% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  19.91 +/- 2.84   0.092% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.01 +/- 2.78   0.132% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.43 +/- 1.79   0.041% *  0.0021% (0.02   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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 314.3:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.72 +/- 0.22  65.999% * 90.8319% (1.00  10.0 10.00   5.40 315.10) =  99.713%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   9.10 +/- 1.05   2.176% *  7.4597% (0.38   1.0  1.00   4.38  28.63) =   0.270%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.91 +/- 2.55  11.410% *  0.0233% (0.03   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  99 - QD    LYS+ 102   9.18 +/- 1.60   2.726% *  0.0810% (0.09   1.0 10.00   0.02   1.62) =   0.004%
        T HG2   LYS+  74 - QD    LYS+  65   9.66 +/- 3.02   3.992% *  0.0522% (0.06   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.66 +/- 2.42   0.189% *  0.3409% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD2   LYS+ 111  16.36 +/- 2.62   0.495% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.37 +/- 3.19   0.258% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.73 +/- 3.29   0.144% *  0.2375% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.35 +/- 2.74   0.091% *  0.3098% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.06 +/- 2.75   0.216% *  0.0891% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.34 +/- 2.77   0.291% *  0.0475% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  15.14 +/- 2.58   0.510% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  24.46 +/- 5.82   0.243% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  19.26 +/- 2.81   0.344% *  0.0257% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  24.53 +/- 6.06   0.225% *  0.0373% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  13.98 +/- 3.27   1.180% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.59 +/- 2.65   0.570% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  19.12 +/- 4.31   0.422% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.98 +/- 2.39   2.087% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.73 +/- 3.42   0.073% *  0.0684% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.89 +/- 2.77   0.511% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.66 +/- 1.53   0.776% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.05 +/- 2.27   1.541% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.03 +/- 1.25   0.672% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.98 +/- 2.08   1.361% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.88 +/- 3.51   0.087% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  21.58 +/- 2.31   0.160% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.61 +/- 4.27   0.297% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.90 +/- 2.27   0.151% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  14.66 +/- 3.27   0.693% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  24.66 +/- 3.17   0.110% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.1:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.38 +/- 0.12  95.374% * 99.2899% (1.00  10.0 10.00   4.97 315.10) =  99.998%  kept
          HB2   PHE   45 - HD2   LYS+ 111  14.60 +/- 3.22   0.787% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.16 +/- 3.22   0.359% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+ 102  21.01 +/- 2.76   0.171% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  14.98 +/- 4.10   1.120% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.21 +/- 2.28   0.959% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.60 +/- 2.72   0.100% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.67 +/- 1.94   0.278% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.87 +/- 3.48   0.098% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.44 +/- 4.05   0.327% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  17.52 +/- 2.12   0.295% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.90 +/- 1.49   0.132% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 315.0:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.82 +/- 0.84  79.019% * 98.7339% (1.00 10.00   6.21 315.10) =  99.979%  kept
          HA    PRO   52 - HD3   LYS+ 111  13.54 +/- 5.45  14.926% *  0.0639% (0.65  1.00   0.02   0.02) =   0.012%
        T HA    LYS+ 111 - QD    LYS+  65  18.03 +/- 3.39   1.481% *  0.2444% (0.25 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 111 - QD    LYS+  33  26.45 +/- 2.25   0.298% *  0.8848% (0.90 10.00   0.02   0.02) =   0.003%
          HA    PRO   52 - QD    LYS+  65  15.65 +/- 3.34   3.965% *  0.0158% (0.16  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QD    LYS+  33  26.13 +/- 1.91   0.311% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.958, support = 6.19, residual support = 292.2:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.03 +/- 0.41  32.853% * 81.7636% (1.00  10.0 10.00   6.62 315.10) =  92.722%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.72 +/- 1.05  13.471% * 14.9423% (0.44   1.0 10.00   0.84   0.47) =   6.948%  kept
          HB2   GLN   30 - QD    LYS+  33   5.02 +/- 0.93  10.590% *  0.6834% (0.20   1.0  1.00   0.84   0.47) =   0.250%  kept
          QB    GLU- 114 - HD3   LYS+ 111   6.36 +/- 1.37   6.026% *  0.2015% (0.57   1.0  1.00   0.09   1.54) =   0.042%
          QB    GLU-  15 - QD    LYS+  33   8.56 +/- 3.21   2.809% *  0.0726% (0.89   1.0  1.00   0.02   0.02) =   0.007%
          HB    ILE   19 - QD    LYS+  33   7.85 +/- 2.28   3.331% *  0.0357% (0.44   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - QD    LYS+  65  11.90 +/- 3.31   5.762% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - QD    LYS+  33  11.83 +/- 2.64   0.988% *  0.0726% (0.89   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD    LYS+  65   8.66 +/- 3.10   3.556% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD    LYS+  65   9.48 +/- 1.89   3.454% *  0.0176% (0.21   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QD    LYS+  33  15.80 +/- 3.72   1.822% *  0.0301% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD    LYS+  33  15.77 +/- 3.38   0.847% *  0.0636% (0.78   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QD    LYS+  65   9.34 +/- 2.41   5.603% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QD    LYS+  65  14.54 +/- 2.50   0.458% *  0.0985% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD    LYS+  33  12.05 +/- 1.48   0.678% *  0.0657% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE   19 - QD    LYS+  65  11.05 +/- 2.31   4.194% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  65  18.54 +/- 3.12   0.201% *  0.2024% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 111 - QD    LYS+  33  27.13 +/- 2.62   0.048% *  0.7327% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   PRO   68 - HD3   LYS+ 111  24.13 +/- 4.68   0.257% *  0.0709% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLN   30 - HD3   LYS+ 111  28.71 +/- 3.11   0.042% *  0.3980% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  33  14.14 +/- 3.54   0.500% *  0.0204% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  23.23 +/- 4.73   0.173% *  0.0336% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  15.21 +/- 1.42   0.297% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  27.71 +/- 4.34   0.059% *  0.0810% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  19.78 +/- 3.03   0.223% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.72 +/- 2.39   0.091% *  0.0415% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  28.64 +/- 4.06   0.047% *  0.0810% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  15.70 +/- 2.27   0.303% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  31.11 +/- 4.47   0.042% *  0.0733% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.98 +/- 1.84   0.501% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.79 +/- 3.62   0.055% *  0.0398% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.83 +/- 3.67   0.128% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  14.63 +/- 1.92   0.400% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  29.45 +/- 2.68   0.039% *  0.0227% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.65 +/- 2.88   0.047% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.84 +/- 2.34   0.105% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 314.6:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.53 +/- 0.26  69.685% * 94.0147% (1.00  10.0 10.00   6.21 315.10) =  99.845%  kept
          HB2   LEU   31 - QD    LYS+  33   7.69 +/- 0.58   2.908% *  3.1385% (0.89   1.0  1.00   0.75   1.01) =   0.139%  kept
          QB    ALA  124 - QD    LYS+  33  20.97 +/- 6.26   2.440% *  0.0477% (0.51   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HD3   LYS+ 111  10.71 +/- 3.39   3.791% *  0.0290% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD    LYS+  65   7.74 +/- 1.19   4.996% *  0.0194% (0.21   1.0  1.00   0.02   3.06) =   0.001%
          HG2   LYS+  38 - QD    LYS+  33   9.97 +/- 1.07   1.421% *  0.0675% (0.72   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  33  27.51 +/- 2.87   0.076% *  0.8425% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - QD    LYS+  65  19.23 +/- 3.09   0.273% *  0.2327% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD    LYS+  65  11.20 +/- 3.45   3.238% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  38 - QD    LYS+  65  20.05 +/- 2.93   0.253% *  0.1864% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  65  19.35 +/- 2.55   0.216% *  0.2087% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    LYS+  33  14.38 +/- 2.63   0.492% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD3   LYS+ 111  16.40 +/- 2.51   0.442% *  0.0683% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  16.07 +/- 3.78   0.382% *  0.0778% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.60 +/- 2.35   0.327% *  0.0785% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.96 +/- 2.79   0.582% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.74 +/- 1.94   0.305% *  0.0704% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.80 +/- 1.30   0.343% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  16.40 +/- 2.77   0.361% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.02 +/- 3.51   0.134% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  15.60 +/- 2.84   0.853% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.41 +/- 2.84   0.302% *  0.0321% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  16.90 +/- 2.65   0.313% *  0.0287% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  14.97 +/- 2.93   0.632% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  26.36 +/- 2.98   0.093% *  0.0843% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  21.28 +/- 1.70   0.144% *  0.0532% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.11 +/- 2.54   0.483% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  19.36 +/- 2.02   0.184% *  0.0378% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.30 +/- 3.13   0.319% *  0.0215% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.06 +/- 2.79   0.071% *  0.0932% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.52 +/- 3.81   0.907% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  23.09 +/- 2.84   0.138% *  0.0421% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  18.22 +/- 2.20   0.237% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.81 +/- 3.34   1.419% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.28 +/- 2.86   0.391% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.20 +/- 2.32   0.148% *  0.0260% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.52 +/- 3.50   0.047% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  16.79 +/- 3.20   0.409% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.69 +/- 3.88   0.246% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 0.998, support = 5.39, residual support = 314.1:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.80 +/- 0.27  65.099% * 90.2545% (1.00  10.0 10.00   5.40 315.10) =  99.654%  kept
          HD2   LYS+ 112 - HD3   LYS+ 111   9.27 +/- 1.26   2.528% *  7.4175% (0.38   1.0  1.00   4.38  28.63) =   0.318%  kept
        T HG2   LYS+  74 - QD    LYS+  33  13.89 +/- 2.93   1.527% *  0.3035% (0.34   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  74 - QD    LYS+  65   9.66 +/- 3.02   4.134% *  0.0839% (0.09   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LEU   71 - QD    LYS+  33   9.16 +/- 3.73   4.481% *  0.0363% (0.40   1.0  1.00   0.02   0.02) =   0.003%
          HG    LEU   71 - QD    LYS+  33   9.94 +/- 3.67   4.311% *  0.0333% (0.37   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE   19 - QD    LYS+  33   7.73 +/- 2.57   8.551% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.002%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.94 +/- 2.74   0.215% *  0.3387% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  33  27.54 +/- 2.82   0.084% *  0.8088% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 111 - QD    LYS+  65  19.37 +/- 3.19   0.303% *  0.2234% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HD3   LYS+ 111  16.87 +/- 2.70   0.572% *  0.0895% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QD    LYS+  65  19.34 +/- 2.77   0.255% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  14.72 +/- 2.28   0.570% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  20.39 +/- 2.52   0.191% *  0.0802% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.98 +/- 2.39   3.201% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  13.98 +/- 3.27   1.154% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  19.12 +/- 4.31   0.431% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.66 +/- 1.53   0.886% *  0.0100% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.01 +/- 5.78   0.219% *  0.0405% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  25.10 +/- 6.02   0.239% *  0.0371% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.03 +/- 1.25   0.713% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  23.39 +/- 2.88   0.140% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  26.17 +/- 2.74   0.100% *  0.0308% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.21 +/- 3.63   0.095% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.1:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.38 +/- 0.13  93.800% * 98.5534% (1.00  10.0 10.00   4.97 315.10) =  99.996%  kept
          HB2   CYS   21 - QD    LYS+  33   9.03 +/- 1.53   2.385% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  65  18.16 +/- 3.22   0.377% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 111 - QD    LYS+  33  25.38 +/- 2.41   0.087% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HD3   LYS+ 111  15.01 +/- 3.11   0.667% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - QD    LYS+  65  14.98 +/- 4.10   1.164% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  19.12 +/- 1.94   0.204% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.21 +/- 2.28   1.226% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.16 +/- 3.49   0.092% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.46 +/- 0.44  89.865% * 99.9354% (1.00 10.00   5.62 315.10) =  99.993%  kept
          HA    PRO   52 - QE    LYS+ 111  12.53 +/- 4.62  10.135% *  0.0646% (0.65  1.00   0.02   0.02) =   0.007%
    Distance limit 3.43 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.0:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.28 +/- 0.87  74.441% * 98.9314% (1.00 10.00   6.05 315.10) =  99.979%  kept
          QB    GLU- 114 - QE    LYS+ 111   6.04 +/- 1.57  19.071% *  0.0560% (0.57  1.00   0.02   1.54) =   0.015%
          HB3   PRO   68 - QE    LYS+ 111  21.75 +/- 3.97   1.800% *  0.0858% (0.87  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - QE    LYS+ 111  25.48 +/- 2.37   0.274% *  0.4816% (0.49 10.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QE    LYS+ 111  20.93 +/- 4.18   1.292% *  0.0407% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QE    LYS+ 111  27.45 +/- 4.17   0.405% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  24.90 +/- 3.43   0.357% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  25.65 +/- 3.25   0.293% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QE    LYS+ 111  14.32 +/- 1.35   1.183% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.95 +/- 2.83   0.339% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.54 +/- 2.31   0.319% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.01 +/- 2.42   0.225% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.1:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.80 +/- 0.49  86.945% * 99.2615% (1.00  10.0 10.00   5.62 315.10) =  99.994%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.27 +/- 3.27   5.989% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QE    LYS+ 111  14.04 +/- 2.69   1.471% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QE    LYS+ 111  14.50 +/- 2.17   0.866% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QE    LYS+ 111  16.04 +/- 1.95   0.581% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - QE    LYS+ 111  14.99 +/- 2.86   0.983% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  20.02 +/- 3.40   0.359% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.10 +/- 2.63   1.736% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  19.62 +/- 1.69   0.341% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.34 +/- 2.48   0.188% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  24.78 +/- 2.32   0.152% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  20.31 +/- 2.54   0.294% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.90 +/- 2.68   0.095% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.44, residual support = 314.1:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.54 +/- 0.43  94.176% * 91.1871% (1.00  10.0 10.00   5.44 315.10) =  99.664%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   8.55 +/- 0.86   3.483% *  8.2528% (0.38   1.0  1.00   4.82  28.63) =   0.334%  kept
        T HG2   LYS+  74 - QE    LYS+ 111  18.64 +/- 2.23   0.331% *  0.3422% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - QE    LYS+ 111  14.42 +/- 2.73   1.050% *  0.0904% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - QE    LYS+ 111  22.40 +/- 4.81   0.322% *  0.0375% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  22.35 +/- 4.57   0.282% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.15 +/- 2.40   0.211% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.36 +/- 2.80   0.146% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.38 +/- 0.12  78.909% * 98.3525% (1.00  10.0 10.00   4.97 315.10) =  99.974%  kept
          HG3   PRO   93 - QE    LYS+ 111   8.80 +/- 4.18  11.294% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.012%
          HB3   MET   92 - QE    LYS+ 111  10.20 +/- 3.68   7.514% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.009%
        T QD    LYS+ 102 - QE    LYS+ 111  21.01 +/- 2.76   0.143% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QE    LYS+ 111  12.60 +/- 2.24   0.879% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.16 +/- 3.22   0.297% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QE    LYS+ 111  20.15 +/- 4.63   0.346% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.60 +/- 2.72   0.083% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  18.54 +/- 1.67   0.191% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.17 +/- 2.66   0.188% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.19 +/- 2.53   0.157% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.1:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.38 +/- 0.13  97.463% * 98.5544% (1.00  10.0 10.00   4.97 315.10) =  99.997%  kept
          QB    ALA   57 - QE    LYS+ 111  12.68 +/- 2.53   1.024% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  65 - QE    LYS+ 111  18.16 +/- 3.22   0.392% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  33 - QE    LYS+ 111  25.38 +/- 2.41   0.090% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - QE    LYS+ 111  19.57 +/- 1.88   0.206% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  19.41 +/- 2.17   0.208% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  16.31 +/- 2.02   0.419% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.19 +/- 2.53   0.199% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 237.1:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.76 +/- 0.19  79.633% * 98.3538% (1.00  10.0 10.00   6.00 237.18) =  99.976%  kept
        T HB    VAL   42 - HA    LYS+ 112  14.48 +/- 2.64   0.865% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.010%
          HB3   PRO   93 - HA    LYS+ 112   6.69 +/- 2.22  11.530% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    LYS+ 112  17.28 +/- 5.04   2.473% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HA    LYS+ 112  13.32 +/- 0.97   0.763% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    LYS+ 112  15.81 +/- 3.16   0.759% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 112  10.64 +/- 1.74   1.910% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  14.90 +/- 1.75   0.566% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  22.72 +/- 1.48   0.156% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  15.85 +/- 1.04   0.446% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  18.42 +/- 1.81   0.307% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  25.84 +/- 2.27   0.112% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  17.51 +/- 1.28   0.352% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  26.39 +/- 3.54   0.128% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.1:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   3.30 +/- 0.47  85.837% * 99.8441% (1.00  10.0 10.00   6.07 237.18) =  99.987%  kept
          QB    ALA   47 - HA    LYS+ 112   9.36 +/- 2.02   9.047% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.008%
          QG1   VAL   42 - HA    LYS+ 112  10.57 +/- 2.06   5.116% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.005%
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 237.2:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.50 +/- 0.54  89.199% * 99.8009% (1.00  10.0 10.00   5.75 237.18) =  99.993%  kept
          HG    LEU   63 - HA    LYS+ 112  11.43 +/- 2.78   5.387% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          QG2   VAL  108 - HA    LYS+ 112   8.84 +/- 0.93   4.564% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HA    LYS+ 112  18.69 +/- 2.79   0.407% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  16.46 +/- 0.90   0.443% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.86, support = 6.07, residual support = 235.1:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.85 +/- 0.20  56.338% * 40.8048% (0.76  10.0 10.00   6.54 237.18) =  56.647%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   3.71 +/- 0.78  32.205% * 53.3934% (1.00   1.0 10.00   5.44 237.18) =  42.373%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.49 +/- 0.68   6.959% *  5.6897% (0.38   1.0  1.00   5.68  28.63) =   0.976%  kept
          QG2   THR   94 - HA    LYS+ 112   8.48 +/- 1.01   2.667% *  0.0428% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   LEU   71 - HA    LYS+ 112  19.28 +/- 5.26   1.147% *  0.0529% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   89 - HA    LYS+ 112  13.79 +/- 2.13   0.684% *  0.0165% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 237.1:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.76 +/- 0.19  88.539% * 98.8850% (1.00  10.0 10.00   6.00 237.18) =  99.983%  kept
        T HA    LYS+ 112 - HB    VAL   42  14.48 +/- 2.64   0.963% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.009%
          HB    THR   46 - HB2   LYS+ 112   9.95 +/- 2.84   4.912% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          HB2   HIS  122 - HB    VAL   42  12.61 +/- 5.27   3.934% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB2   HIS  122 - HB2   LYS+ 112  15.84 +/- 2.28   0.631% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  12.75 +/- 1.11   1.022% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 5.54, residual support = 157.2:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  60.410% * 40.6012% (0.70  10.0 10.00   4.54  89.71) =  54.192%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.58 +/- 0.26  35.929% * 57.6594% (1.00  10.0 10.00   6.74 237.18) =  45.772%  kept
        T QB    ALA   47 - HB2   LYS+ 112   9.07 +/- 2.06   1.953% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.018%
        T QG1   VAL   42 - HB2   LYS+ 112  11.48 +/- 2.49   1.049% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   LYS+ 112 - HB    VAL   42  15.03 +/- 3.27   0.463% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.005%
        T QB    ALA   47 - HB    VAL   42  14.59 +/- 0.78   0.195% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 237.1:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.85 +/- 0.19  79.602% * 98.8037% (1.00  10.0 10.00   5.75 237.18) =  99.974%  kept
        T HG3   LYS+ 112 - HB    VAL   42  14.64 +/- 2.87   1.300% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.014%
          HG    LEU   63 - HB    VAL   42   8.43 +/- 2.07   7.218% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   63 - HB2   LYS+ 112  11.62 +/- 3.13   3.200% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU  104 - HB    VAL   42   8.91 +/- 1.27   3.525% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   LYS+ 112  10.61 +/- 1.10   1.834% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB    VAL   42  12.47 +/- 1.60   1.238% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB    VAL   42  11.92 +/- 1.48   1.300% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB2   LYS+ 112  19.38 +/- 3.34   0.401% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  18.02 +/- 1.64   0.381% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.81, support = 7.0, residual support = 236.5:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  78.752% * 39.6851% (0.76  10.0 10.00   7.23 237.18) =  80.175%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.49 +/- 0.60  14.643% * 51.9283% (1.00  10.0 10.00   6.14 237.18) =  19.506%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   7.39 +/- 0.63   1.138% *  5.4933% (0.38   1.0  1.00   5.64  28.63) =   0.160%  kept
          HB3   LEU   71 - HB    VAL   42   6.90 +/- 2.12   3.034% *  1.9469% (0.84   1.0  1.00   0.90   1.70) =   0.152%  kept
        T HD2   LYS+ 112 - HB    VAL   42  14.65 +/- 3.04   0.266% *  0.4378% (0.84   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LYS+ 112 - HB    VAL   42  16.14 +/- 3.12   0.253% *  0.3346% (0.64   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   94 - HB    VAL   42   9.24 +/- 1.08   0.627% *  0.0351% (0.68   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HB2   LYS+ 112   9.95 +/- 1.18   0.500% *  0.0416% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HB2   LYS+ 112  20.10 +/- 5.44   0.332% *  0.0515% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  15.36 +/- 2.53   0.161% *  0.0160% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  13.41 +/- 1.21   0.190% *  0.0135% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  18.82 +/- 3.50   0.103% *  0.0164% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 237.1:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   3.30 +/- 0.47  79.918% * 99.8459% (1.00  10.0 10.00   6.07 237.18) =  99.983%  kept
          HB    THR   46 - HG2   LYS+ 112   8.59 +/- 2.82  19.090% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.015%
          HB2   HIS  122 - HG2   LYS+ 112  16.39 +/- 2.43   0.992% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 237.1:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.58 +/- 0.26  69.820% * 98.3538% (1.00  10.0 10.00   6.74 237.18) =  99.966%  kept
          HB3   PRO   93 - HG2   LYS+ 112   6.31 +/- 2.70  21.875% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.015%
        T HB    VAL   42 - HG2   LYS+ 112  15.03 +/- 3.27   0.852% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.012%
          HB3   LEU   73 - HG2   LYS+ 112  16.93 +/- 5.39   3.018% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HG2   LYS+ 112  15.08 +/- 4.05   0.953% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HG2   LYS+ 112  15.19 +/- 1.64   0.377% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG2   LYS+ 112  10.36 +/- 2.24   1.675% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  14.77 +/- 1.84   0.392% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  24.15 +/- 2.15   0.094% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  16.81 +/- 1.87   0.283% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  19.47 +/- 2.96   0.218% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  25.92 +/- 3.15   0.081% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  18.43 +/- 2.27   0.270% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  25.72 +/- 4.05   0.093% *  0.0517% (0.53   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 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 237.2:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  96.181% * 99.8009% (1.00  10.0 10.00   6.98 237.18) =  99.997%  kept
          HG    LEU   63 - HG2   LYS+ 112  11.44 +/- 3.58   3.041% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HG2   LYS+ 112  10.61 +/- 1.32   0.540% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  18.47 +/- 3.48   0.139% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.03 +/- 1.70   0.100% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.892, support = 6.76, residual support = 236.6:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.65 +/- 0.29  45.980% * 53.0038% (1.00  10.0 10.00   6.53 237.18) =  54.493%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.56 +/- 0.24  49.946% * 40.5070% (0.76  10.0 10.00   7.03 237.18) =  45.236%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   8.11 +/- 1.14   1.890% *  6.3778% (0.38   1.0  1.00   6.41  28.63) =   0.270%  kept
          QG2   THR   94 - HG2   LYS+ 112   9.32 +/- 1.26   1.312% *  0.0424% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   LYS+ 112  19.52 +/- 5.22   0.419% *  0.0525% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  14.39 +/- 2.53   0.453% *  0.0164% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 237.2:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.50 +/- 0.54  87.305% * 99.8459% (1.00  10.0 10.00   5.75 237.18) =  99.990%  kept
          HB    THR   46 - HG3   LYS+ 112   8.55 +/- 2.91  12.201% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          HB2   HIS  122 - HG3   LYS+ 112  16.19 +/- 2.04   0.494% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 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 = 5.75, residual support = 237.1:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.85 +/- 0.19  63.657% * 98.3538% (1.00  10.0 10.00   5.75 237.18) =  99.955%  kept
          HB3   PRO   93 - HG3   LYS+ 112   5.87 +/- 2.69  25.868% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.020%
        T HB    VAL   42 - HG3   LYS+ 112  14.64 +/- 2.87   1.095% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.016%
          HB3   LEU   73 - HG3   LYS+ 112  16.70 +/- 5.36   3.091% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  65 - HG3   LYS+ 112  15.24 +/- 3.77   1.193% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HG3   LYS+ 112  14.38 +/- 1.41   0.545% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HG3   LYS+ 112  10.07 +/- 2.33   2.617% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HG3   LYS+ 112  14.37 +/- 1.76   0.573% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  23.50 +/- 1.50   0.122% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  16.27 +/- 1.39   0.397% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  25.66 +/- 2.83   0.115% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  18.89 +/- 2.45   0.298% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  18.34 +/- 1.78   0.295% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  25.78 +/- 4.00   0.134% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 237.2:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  97.353% * 99.8441% (1.00  10.0 10.00   6.98 237.18) =  99.998%  kept
          QB    ALA   47 - HG3   LYS+ 112   7.97 +/- 2.05   1.795% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   42 - HG3   LYS+ 112  10.67 +/- 2.25   0.852% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.906, support = 6.13, residual support = 236.5:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.57 +/- 0.24  51.609% * 53.1878% (1.00  10.0 10.00   5.56 237.18) =  60.697%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.74 +/- 0.27  43.347% * 40.6476% (0.76  10.0  1.00   7.03 237.18) =  38.960%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.41 +/- 0.90   2.546% *  6.0529% (0.38   1.0  1.00   6.06  28.63) =   0.341%  kept
          QG2   THR   94 - HG3   LYS+ 112   8.68 +/- 1.25   1.651% *  0.0426% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG3   LYS+ 112  19.28 +/- 5.16   0.395% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  13.72 +/- 2.21   0.452% *  0.0164% (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 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 237.1:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   3.71 +/- 0.78  75.695% * 99.8459% (1.00 10.00   5.44 237.18) =  99.979%  kept
          HB    THR   46 - HD2   LYS+ 112   8.18 +/- 3.08  23.012% *  0.0646% (0.65  1.00   0.02   0.02) =   0.020%
          HB2   HIS  122 - HD2   LYS+ 112  16.27 +/- 2.49   1.293% *  0.0895% (0.90  1.00   0.02   0.02) =   0.002%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 0.999, support = 6.13, residual support = 237.0:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.49 +/- 0.60  51.040% * 98.3538% (1.00  10.0 10.00   6.14 237.18) =  99.925%  kept
        T HB    VAL   42 - HD2   LYS+ 112  14.65 +/- 3.04   1.400% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.026%
          HB3   PRO   93 - HD2   LYS+ 112   6.10 +/- 2.39  26.078% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.025%
          HB3   LEU   73 - HD2   LYS+ 112  16.33 +/- 5.87   6.975% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.013%
          HG3   LYS+  65 - HD2   LYS+ 112  14.74 +/- 3.71   2.131% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HD2   LYS+ 112   9.85 +/- 2.67   8.565% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HD2   LYS+ 112  14.85 +/- 1.87   0.825% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   84 - HD2   LYS+ 112  14.23 +/- 2.17   0.902% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HD2   LYS+ 112  16.46 +/- 2.18   0.686% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  23.85 +/- 2.21   0.187% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  25.36 +/- 3.24   0.170% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  19.08 +/- 2.90   0.409% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  18.56 +/- 2.04   0.443% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  25.39 +/- 4.01   0.190% *  0.0517% (0.53   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 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.53, residual support = 237.2:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.65 +/- 0.29  91.041% * 99.8441% (1.00  10.0 10.00   6.53 237.18) =  99.992%  kept
          QB    ALA   47 - HD2   LYS+ 112   7.78 +/- 1.99   5.451% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   42 - HD2   LYS+ 112  10.66 +/- 2.36   3.508% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 237.2:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.57 +/- 0.24  86.292% * 99.8009% (1.00  10.0 10.00   5.56 237.18) =  99.989%  kept
          HG    LEU   63 - HD2   LYS+ 112  11.14 +/- 3.16  10.900% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.010%
          QG2   VAL  108 - HD2   LYS+ 112  10.37 +/- 1.50   1.968% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HD2   LYS+ 112  17.88 +/- 3.66   0.522% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  17.72 +/- 2.32   0.318% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T QB    ASP- 113 - HA    ASP- 113   2.42 +/- 0.14 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.37) = 100.000%  kept
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.4:
    * O T HA    ASP- 113 - QB    ASP- 113   2.42 +/- 0.14  93.719% * 99.1713% (1.00  10.0 10.00   2.00  14.37) =  99.988%  kept
        T HA    PHE   59 - QB    ASP- 113  10.53 +/- 1.40   1.355% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.008%
          HA    ILE   56 - QB    ASP- 113   9.10 +/- 3.01   4.295% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HA    LEU  123 - QB    ASP- 113  15.51 +/- 1.04   0.397% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.04 +/- 1.43   0.159% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.01 +/- 2.31   0.075% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.874, support = 3.8, residual support = 52.0:
    * O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.12  48.663% * 56.5460% (0.97  10.0 10.00   3.53  43.39) =  86.914%  kept
        T QB    GLU- 114 - HA    LEU  115   4.37 +/- 0.32   7.656% * 26.0231% (0.44   1.0 10.00   5.22  21.68) =   6.293%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.61 +/- 0.25  33.747% *  5.3364% (0.09  10.0 10.00   6.32 222.74) =   5.688%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.86 +/- 0.36   2.996% * 11.5954% (0.20   1.0 10.00   4.52  21.68) =   1.097%  kept
          HB2   LYS+ 111 - HA    GLU- 114   6.06 +/- 1.16   3.678% *  0.0425% (0.73   1.0  1.00   0.02   1.54) =   0.005%
          HB2   LYS+ 111 - HA    LEU  115   8.62 +/- 1.17   1.153% *  0.0196% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLU- 114  18.85 +/- 3.62   0.136% *  0.0508% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  15.89 +/- 2.76   0.194% *  0.0234% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.38 +/- 2.04   0.713% *  0.0060% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.13 +/- 1.54   0.324% *  0.0130% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.08 +/- 3.22   0.052% *  0.0541% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  20.03 +/- 3.14   0.093% *  0.0241% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.59 +/- 3.19   0.046% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.45 +/- 2.70   0.082% *  0.0249% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  25.52 +/- 3.14   0.040% *  0.0469% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  21.33 +/- 2.84   0.071% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.03 +/- 2.35   0.136% *  0.0111% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  30.27 +/- 2.76   0.023% *  0.0554% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  22.52 +/- 2.69   0.057% *  0.0216% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  26.89 +/- 2.53   0.032% *  0.0255% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.10 +/- 3.31   0.043% *  0.0079% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.37 +/- 2.99   0.065% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.862, support = 3.96, residual support = 37.9:
    * O T QG    GLU- 114 - HA    GLU- 114   3.05 +/- 0.38  55.400% * 68.1764% (1.00  10.0 10.00   3.65  43.39) =  74.738%  kept
        T QG    GLU- 114 - HA    LEU  115   4.11 +/- 1.26  40.684% * 31.3756% (0.46   1.0 10.00   4.86  21.68) =  25.259%  kept
          HG2   PRO   52 - HA    GLU- 114  14.73 +/- 3.51   0.885% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    GLU- 114  16.09 +/- 2.28   0.497% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - HA    LEU  115  14.67 +/- 1.87   0.753% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.65 +/- 2.98   0.990% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  23.81 +/- 2.03   0.136% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  20.31 +/- 2.61   0.255% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  32.51 +/- 3.53   0.056% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.89 +/- 3.01   0.074% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  31.76 +/- 3.04   0.054% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  31.17 +/- 4.01   0.058% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  28.40 +/- 2.79   0.077% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  28.33 +/- 4.02   0.080% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.935, support = 3.7, residual support = 41.2:
    * O T HA    GLU- 114 - QB    GLU- 114   2.27 +/- 0.12  84.360% * 59.0968% (0.97  10.0 10.00   3.53  43.39) =  89.910%  kept
        T HA    LEU  115 - QB    GLU- 114   4.37 +/- 0.32  13.780% * 40.5940% (0.66   1.0 10.00   5.22  21.68) =  10.088%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.27 +/- 1.24   0.534% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    GLU- 114  11.31 +/- 1.73   0.921% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  21.04 +/- 1.55   0.119% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.78 +/- 2.73   0.108% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.03 +/- 1.87   0.107% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.24 +/- 2.33   0.072% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.84, residual support = 43.4:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.04  98.181% * 99.1187% (0.96  10.0 10.00   3.84  43.39) =  99.998%  kept
          HG2   PRO   52 - QB    GLU- 114  12.80 +/- 3.16   1.001% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HG2   MET   92 - QB    GLU- 114  13.15 +/- 2.11   0.555% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   GLU-  25 - QB    GLU- 114  27.48 +/- 2.68   0.049% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  20.25 +/- 1.83   0.117% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  28.60 +/- 3.21   0.044% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  27.86 +/- 3.85   0.052% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.893, support = 4.06, residual support = 36.1:
    * O T HA    GLU- 114 - QG    GLU- 114   3.05 +/- 0.38  55.876% * 59.1519% (1.00  10.0 10.00   3.65  43.39) =  66.472%  kept
        T HA    LEU  115 - QG    GLU- 114   4.11 +/- 1.26  41.029% * 40.6319% (0.69   1.0 10.00   4.86  21.68) =  33.527%  kept
          HA    CYS   53 - QG    GLU- 114  10.80 +/- 1.67   1.633% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  20.67 +/- 1.09   0.188% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  12.86 +/- 1.22   0.831% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.41 +/- 1.93   0.161% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.51 +/- 1.57   0.169% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.72 +/- 1.84   0.113% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.953, support = 3.83, residual support = 42.7:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.04  65.778% * 90.7272% (0.96  10.0 10.00   3.84  43.39) =  97.964%  kept
          HB2   LYS+ 111 - QG    GLU- 114   4.33 +/- 1.43  21.196% *  3.0796% (0.72   1.0  1.00   0.90   1.54) =   1.071%  kept
          HB2   LEU  115 - QG    GLU- 114   4.50 +/- 1.20  11.939% *  4.9127% (0.20   1.0  1.00   5.28  21.68) =   0.963%  kept
        T HB3   GLU-  25 - QG    GLU- 114  25.63 +/- 2.29   0.040% *  0.8893% (0.94   1.0 10.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLU- 114  17.16 +/- 3.17   0.174% *  0.0815% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG    GLU- 114  12.51 +/- 1.75   0.434% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  20.75 +/- 2.41   0.078% *  0.0868% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  21.75 +/- 2.82   0.088% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  18.14 +/- 2.74   0.149% *  0.0386% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  22.54 +/- 2.67   0.064% *  0.0753% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.35 +/- 2.17   0.061% *  0.0127% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.65, support = 5.81, residual support = 187.6:
    * O T HB2   LEU  115 - HA    LEU  115   2.61 +/- 0.25  25.436% * 53.9301% (0.84  10.0 10.00   6.32 222.74) =  73.371%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.63 +/- 0.22  24.756% *  8.4071% (0.13  10.0  1.00   4.76 169.89) =  11.132%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.12  36.158% *  4.5543% (0.07  10.0 10.00   3.53  43.39) =   8.808%  kept
        T QB    GLU- 114 - HA    LEU  115   4.37 +/- 0.32   5.539% * 16.6454% (0.26   1.0 10.00   5.22  21.68) =   4.931%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.86 +/- 0.36   2.182% * 14.7556% (0.23   1.0 10.00   4.52  21.68) =   1.722%  kept
        T HB2   LEU  115 - HA    ARG+  54  11.22 +/- 2.04   0.393% *  1.2836% (0.47   1.0 10.00   0.08   0.02) =   0.027%
          HG3   PRO   58 - HA    ARG+  54   8.35 +/- 1.92   2.221% *  0.0302% (0.47   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - HA    LEU  115  11.38 +/- 2.04   0.490% *  0.0538% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QB    GLU- 114 - HA    ARG+  54  13.27 +/- 1.24   0.210% *  0.0933% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LEU  115  15.15 +/- 3.29   0.331% *  0.0432% (0.67   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    ARG+  54  17.42 +/- 3.57   0.245% *  0.0242% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  15.73 +/- 3.84   0.368% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  18.05 +/- 5.82   0.370% *  0.0136% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  15.89 +/- 2.76   0.147% *  0.0242% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.13 +/- 1.54   0.227% *  0.0147% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  17.22 +/- 2.57   0.100% *  0.0284% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.69 +/- 1.46   0.148% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  18.73 +/- 3.64   0.155% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  18.88 +/- 3.49   0.158% *  0.0113% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.45 +/- 2.70   0.061% *  0.0202% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  18.85 +/- 3.62   0.104% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  16.12 +/- 1.42   0.110% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.70 +/- 2.40   0.055% *  0.0078% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.08 +/- 3.22   0.039% *  0.0055% (0.09   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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.482, support = 6.26, residual support = 215.3:
    * O T HG    LEU  115 - HA    LEU  115   3.60 +/- 0.36  20.672% * 55.7174% (0.72  10.0 10.00   6.20 222.74) =  48.807%  kept
      O T HB3   LEU  115 - HA    LEU  115   2.43 +/- 0.18  56.553% * 19.8253% (0.26  10.0 10.00   6.50 222.74) =  47.509%  kept
        T HG    LEU  115 - HA    GLU- 114   6.09 +/- 0.86   4.384% * 15.2446% (0.20   1.0 10.00   4.04  21.68) =   2.832%  kept
        T HB3   LEU  115 - HA    GLU- 114   6.31 +/- 0.32   3.316% *  5.4243% (0.07   1.0 10.00   3.85  21.68) =   0.762%  kept
        T HB3   LEU  115 - HA    ARG+  54  11.23 +/- 2.24   0.852% *  1.0012% (0.14   1.0 10.00   0.18   0.02) =   0.036%
        T HG    LEU  115 - HA    ARG+  54  10.38 +/- 1.66   0.958% *  0.3124% (0.41   1.0 10.00   0.02   0.02) =   0.013%
        T HG    LEU   67 - HA    LEU  115  14.73 +/- 3.43   0.872% *  0.2641% (0.34   1.0 10.00   0.02   0.02) =   0.010%
        T HB3   LEU   40 - HA    LEU  115  16.21 +/- 2.51   0.252% *  0.6366% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T HG    LEU   67 - HA    ARG+  54  17.02 +/- 4.21   0.921% *  0.1481% (0.19   1.0 10.00   0.02   0.02) =   0.006%
          QB    ALA  120 - HA    LEU  115   7.72 +/- 0.52   1.810% *  0.0557% (0.72   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - HA    LEU  115  14.47 +/- 2.44   0.366% *  0.1983% (0.26   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   LEU   40 - HA    ARG+  54  20.98 +/- 4.48   0.175% *  0.3570% (0.46   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU   40 - HA    ARG+  54  19.66 +/- 4.56   0.231% *  0.1112% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   THR   26 - HA    LEU  115  20.37 +/- 2.32   0.116% *  0.2191% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA  120 - HA    GLU- 114   8.12 +/- 0.79   1.651% *  0.0152% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   40 - HA    GLU- 114  19.74 +/- 2.91   0.141% *  0.1742% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  115   8.56 +/- 1.49   1.682% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HA    ARG+  54  14.38 +/- 3.18   0.992% *  0.0218% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HA    GLU- 114  18.04 +/- 2.78   0.191% *  0.0542% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  17.01 +/- 2.98   0.265% *  0.0390% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  14.62 +/- 1.69   0.294% *  0.0312% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.05 +/- 3.57   0.600% *  0.0100% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.61 +/- 2.15   0.262% *  0.0179% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.38 +/- 2.58   0.076% *  0.0599% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114  10.81 +/- 2.33   1.092% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  18.21 +/- 3.90   0.570% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  17.81 +/- 3.22   0.274% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  18.98 +/- 2.77   0.178% *  0.0123% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.73 +/- 2.72   0.116% *  0.0107% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  18.80 +/- 2.26   0.138% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.792, support = 6.16, residual support = 207.9:
    *   T QD1   LEU  115 - HA    LEU  115   3.66 +/- 0.65  63.969% * 76.4398% (0.84 10.00   6.32 222.74) =  92.700%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.12 +/- 0.79  16.977% * 20.9144% (0.23 10.00   4.44  21.68) =   6.731%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.16 +/- 1.76  11.791% *  2.5132% (0.47 10.00   0.12   0.02) =   0.562%  kept
          QG1   VAL   75 - HA    LEU  115  11.89 +/- 1.63   2.552% *  0.0723% (0.79  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    ARG+  54  12.54 +/- 2.76   3.583% *  0.0405% (0.44  1.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    GLU- 114  14.95 +/- 1.42   1.127% *  0.0198% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.761, support = 7.19, residual support = 206.4:
    *   T QD2   LEU  115 - HA    LEU  115   3.29 +/- 0.54  37.548% * 74.0594% (0.81 10.00   7.46 222.74) =  91.971%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.50 +/- 0.86  10.886% * 20.2631% (0.22 10.00   4.43  21.68) =   7.295%  kept
        T QD2   LEU  115 - HA    ARG+  54   8.29 +/- 1.40   3.514% *  4.8073% (0.45 10.00   0.23   0.02) =   0.559%  kept
          QD1   LEU   63 - HA    LEU  115   7.69 +/- 2.67  11.011% *  0.3395% (0.79  1.00   0.09   0.02) =   0.124%  kept
          QD1   LEU   73 - HA    LEU  115  14.65 +/- 3.95   9.391% *  0.0726% (0.79  1.00   0.02   0.02) =   0.023%
          QD1   LEU   63 - HA    ARG+  54   9.58 +/- 3.36  10.960% *  0.0407% (0.44  1.00   0.02   0.02) =   0.015%
          QD2   LEU   63 - HA    LEU  115   8.76 +/- 2.56   3.661% *  0.0288% (0.31  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HA    ARG+  54  10.82 +/- 3.42   4.430% *  0.0161% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HA    LEU  115  12.72 +/- 2.07   0.813% *  0.0586% (0.64  1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HA    ARG+  54  14.62 +/- 3.46   0.997% *  0.0407% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114  10.62 +/- 2.78   1.865% *  0.0199% (0.22  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    LEU  115  16.85 +/- 1.80   0.337% *  0.0726% (0.79  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HA    ARG+  54  16.86 +/- 2.28   0.448% *  0.0407% (0.44  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    ARG+  54  19.41 +/- 3.93   0.465% *  0.0329% (0.36  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HA    GLU- 114  17.84 +/- 3.99   0.716% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  11.73 +/- 2.70   1.241% *  0.0079% (0.09  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  15.94 +/- 1.83   0.400% *  0.0237% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  15.08 +/- 1.86   0.432% *  0.0160% (0.17  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.90 +/- 3.09   0.451% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  19.86 +/- 1.61   0.200% *  0.0199% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  18.76 +/- 1.56   0.235% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.815, support = 6.24, residual support = 214.6:
    * O T HA    LEU  115 - HB2   LEU  115   2.61 +/- 0.25  88.244% * 68.5118% (0.84  10.0 10.00   6.32 222.74) =  95.955%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.86 +/- 0.36   8.912% * 27.9789% (0.34   1.0 10.00   4.52  21.68) =   3.957%  kept
        T HA    ARG+  54 - HB2   LEU  115  11.22 +/- 2.04   1.699% *  3.2143% (0.92   1.0 10.00   0.08   0.02) =   0.087%
          HA    ALA  124 - HB2   LEU  115  17.67 +/- 1.24   0.348% *  0.0685% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  21.47 +/- 2.19   0.167% *  0.0711% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  22.20 +/- 2.15   0.152% *  0.0563% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  19.41 +/- 1.54   0.238% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  21.78 +/- 1.40   0.164% *  0.0399% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  27.97 +/- 2.39   0.076% *  0.0253% (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 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 = 0.581, support = 6.15, residual support = 222.7:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  73.304% * 25.8976% (0.31  10.0 10.00   6.19 222.74) =  51.268%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.59 +/- 0.28  24.790% * 72.7830% (0.87  10.0 10.00   6.10 222.74) =  48.726%  kept
        T HB3   LEU   40 - HB2   LEU  115  16.40 +/- 2.04   0.108% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - HB2   LEU  115   9.09 +/- 0.89   0.600% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   40 - HB2   LEU  115  14.66 +/- 1.99   0.161% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   LEU  115  14.35 +/- 2.86   0.241% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.43 +/- 1.44   0.411% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  15.83 +/- 2.67   0.139% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  14.68 +/- 2.55   0.185% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  19.66 +/- 2.31   0.060% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 222.7:
    * O T QD1   LEU  115 - HB2   LEU  115   2.57 +/- 0.39  98.339% * 99.9055% (1.00  10.0 10.00   6.12 222.74) =  99.998%  kept
          QG1   VAL   75 - HB2   LEU  115  10.85 +/- 1.47   1.661% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 7.27, residual support = 222.5:
    * O T QD2   LEU  115 - HB2   LEU  115   2.81 +/- 0.40  69.169% * 99.2019% (0.97  10.0 10.00   7.28 222.74) =  99.883%  kept
          QD1   LEU   63 - HB2   LEU  115   7.27 +/- 2.67  14.916% *  0.4547% (0.95   1.0  1.00   0.09   0.02) =   0.099%
          QD1   LEU   73 - HB2   LEU  115  13.96 +/- 3.86   9.596% *  0.0972% (0.95   1.0  1.00   0.02   0.02) =   0.014%
          QD2   LEU   63 - HB2   LEU  115   8.40 +/- 2.38   4.393% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   LEU  115  13.42 +/- 1.43   0.763% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU  115  15.98 +/- 1.81   0.562% *  0.0972% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   LEU  115  15.29 +/- 1.87   0.601% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.683, support = 5.99, residual support = 203.2:
    * O T HA    LEU  115 - HG    LEU  115   3.60 +/- 0.36  62.139% * 69.7478% (0.72  10.0 10.00   6.20 222.74) =  90.290%  kept
        T HA    GLU- 114 - HG    LEU  115   6.09 +/- 0.86  16.220% * 28.4836% (0.30   1.0 10.00   4.04  21.68) =   9.625%  kept
        T HA    ARG+  54 - HG    LEU  115  10.38 +/- 1.66   4.039% *  0.7708% (0.80   1.0 10.00   0.02   0.02) =   0.065%
        T HA    LEU  115 - HG    LEU   40  14.47 +/- 2.44   1.355% *  0.2369% (0.25   1.0 10.00   0.02   0.02) =   0.007%
        T HA    ARG+  54 - HG    LEU   40  19.66 +/- 4.56   1.013% *  0.2618% (0.27   1.0 10.00   0.02   0.02) =   0.006%
          HA    ALA   34 - HG    LEU   40   9.13 +/- 1.38   5.058% *  0.0195% (0.20   1.0  1.00   0.02   0.37) =   0.002%
        T HA    GLU- 114 - HG    LEU   40  18.04 +/- 2.78   0.711% *  0.0967% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HG    LEU   40  10.71 +/- 1.96   3.303% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU  115  17.95 +/- 1.41   0.568% *  0.0697% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU   40  13.69 +/- 1.55   1.343% *  0.0246% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  124 - HG    LEU   40  18.16 +/- 6.45   1.099% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - HG    LEU  115  21.67 +/- 2.41   0.339% *  0.0724% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG    LEU  115  22.57 +/- 2.40   0.295% *  0.0574% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  19.66 +/- 2.06   0.461% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.54 +/- 1.82   0.289% *  0.0406% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.18 +/- 0.82   1.124% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  20.27 +/- 2.85   0.497% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  28.41 +/- 2.61   0.147% *  0.0258% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.861, support = 6.08, residual support = 220.6:
    * O T HB2   LEU  115 - HG    LEU  115   2.59 +/- 0.28  73.515% * 92.1278% (0.87  10.0 10.00   6.10 222.74) =  98.947%  kept
          QB    GLU- 114 - HG    LEU  115   5.40 +/- 0.89  11.195% *  6.2374% (0.27   1.0  1.00   4.39  21.68) =   1.020%  kept
        T HB2   LEU   67 - HG    LEU   40   8.34 +/- 1.93   5.349% *  0.2506% (0.24   1.0 10.00   0.02   0.02) =   0.020%
        T HB2   LEU   67 - HG    LEU  115  15.18 +/- 2.36   0.609% *  0.7377% (0.69   1.0 10.00   0.02   0.02) =   0.007%
          HG3   PRO   58 - HG    LEU  115  10.24 +/- 1.59   1.864% *  0.0919% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HB2   LEU  115 - HG    LEU   40  14.66 +/- 1.99   0.495% *  0.3129% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG    LEU   40  10.39 +/- 1.60   1.705% *  0.0140% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.18 +/- 1.37   0.799% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  11.76 +/- 2.82   1.146% *  0.0165% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  16.37 +/- 2.54   0.376% *  0.0485% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  16.07 +/- 2.41   0.417% *  0.0413% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.70 +/- 2.42   1.002% *  0.0117% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  18.55 +/- 3.26   0.345% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.68 +/- 2.77   0.208% *  0.0346% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.81 +/- 2.77   0.617% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  21.16 +/- 5.25   0.359% *  0.0087% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.01, residual support = 222.7:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  97.323% * 99.5358% (0.87  10.0 10.00   6.01 222.74) =  99.996%  kept
        T QD1   LEU  115 - HG    LEU   40  11.97 +/- 2.14   0.800% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   75 - HG    LEU  115  11.13 +/- 1.56   0.779% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HG    LEU   40  10.71 +/- 1.61   1.098% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.11, residual support = 222.7:
    * O T QD2   LEU  115 - HG    LEU  115   2.11 +/- 0.02  74.944% * 98.7216% (0.84  10.0 10.00   7.11 222.74) =  99.960%  kept
          QD1   LEU   63 - HG    LEU  115   7.44 +/- 1.94   4.016% *  0.4525% (0.82   1.0  1.00   0.09   0.02) =   0.025%
          QD1   LEU   73 - HG    LEU  115  14.08 +/- 3.97   5.659% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.007%
        T QD2   LEU  115 - HG    LEU   40  12.33 +/- 1.74   0.494% *  0.3353% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HG    LEU   40   6.59 +/- 1.57   4.491% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HG    LEU   40   8.00 +/- 1.78   3.239% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   8.62 +/- 1.79   1.622% *  0.0384% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU   40   7.18 +/- 1.34   2.607% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   9.73 +/- 1.46   0.959% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.96 +/- 1.97   0.348% *  0.0782% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  13.22 +/- 2.80   0.674% *  0.0329% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  16.22 +/- 1.87   0.202% *  0.0968% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  15.67 +/- 1.68   0.211% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  12.66 +/- 2.38   0.535% *  0.0107% (0.09   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 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.788, support = 6.07, residual support = 200.9:
    *   T HA    LEU  115 - QD1   LEU  115   3.66 +/- 0.65  65.616% * 67.6822% (0.84 10.00   6.32 222.74) =  89.247%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.12 +/- 0.79  17.429% * 27.6401% (0.34 10.00   4.44  21.68) =   9.681%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.16 +/- 1.76  12.096% *  4.3863% (0.92 10.00   0.12   0.02) =   1.066%  kept
          HA    ALA  124 - QD1   LEU  115  15.44 +/- 1.18   1.029% *  0.0677% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD1   LEU  115  17.14 +/- 1.99   0.936% *  0.0703% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD1   LEU  115  17.95 +/- 2.09   0.791% *  0.0557% (0.69  1.00   0.02   0.02) =   0.001%
          HA    LYS+  81 - QD1   LEU  115  15.59 +/- 1.60   1.103% *  0.0333% (0.41  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QD1   LEU  115  18.16 +/- 2.06   0.640% *  0.0394% (0.49  1.00   0.02   0.02) =   0.001%
          HA    GLU-  36 - QD1   LEU  115  22.85 +/- 2.24   0.359% *  0.0250% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 0.985, support = 6.08, residual support = 217.8:
    * O T HB2   LEU  115 - QD1   LEU  115   2.57 +/- 0.39  69.599% * 90.1460% (1.00  10.0 10.00   6.12 222.74) =  97.586%  kept
          QB    GLU- 114 - QD1   LEU  115   5.24 +/- 1.03  19.798% *  7.0799% (0.31   1.0  1.00   5.09  21.68) =   2.180%  kept
          HG3   PRO   58 - QD1   LEU  115   8.41 +/- 1.52   5.813% *  2.5552% (1.00   1.0  1.00   0.57   0.02) =   0.231%  kept
          HB2   LEU   67 - QD1   LEU  115  11.99 +/- 1.79   0.975% *  0.0722% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   LEU  115  12.89 +/- 2.61   0.959% *  0.0474% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.65 +/- 1.58   1.646% *  0.0251% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU  115  12.93 +/- 2.03   0.694% *  0.0404% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.47 +/- 2.41   0.516% *  0.0338% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.749, support = 6.07, residual support = 222.7:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  54.638% * 72.7830% (0.87  10.0 10.00   6.01 222.74) =  78.853%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.38 +/- 0.33  41.162% * 25.8976% (0.31  10.0 10.00   6.31 222.74) =  21.137%  kept
        T HB3   LEU   40 - QD1   LEU  115  13.45 +/- 1.99   0.265% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - QD1   LEU  115  11.97 +/- 2.14   0.418% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD1   LEU  115   8.40 +/- 0.84   1.006% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD1   LEU  115  12.29 +/- 2.07   0.388% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  11.65 +/- 2.18   0.537% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.65 +/- 2.50   0.684% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.54 +/- 1.17   0.738% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  15.59 +/- 2.02   0.165% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.25, residual support = 222.5:
    * O T QD2   LEU  115 - QD1   LEU  115   2.06 +/- 0.05  74.061% * 99.2019% (0.97  10.0 10.00   7.26 222.74) =  99.887%  kept
          QD1   LEU   63 - QD1   LEU  115   5.72 +/- 1.99  17.111% *  0.4547% (0.95   1.0  1.00   0.09   0.02) =   0.106%  kept
          QD1   LEU   73 - QD1   LEU  115  10.98 +/- 3.03   3.077% *  0.0972% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          QD2   LEU   63 - QD1   LEU  115   6.71 +/- 1.78   4.348% *  0.0386% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QD1   LEU  115  11.26 +/- 1.77   0.654% *  0.0786% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD1   LEU  115  12.72 +/- 1.56   0.373% *  0.0972% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  12.40 +/- 1.45   0.375% *  0.0317% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.758, support = 7.07, residual support = 199.5:
    *   T HA    LEU  115 - QD2   LEU  115   3.29 +/- 0.54  69.970% * 64.9083% (0.81 10.00   7.46 222.74) =  88.565%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.50 +/- 0.86  19.983% * 26.5073% (0.33 10.00   4.43  21.68) =  10.330%  kept
        T HA    ARG+  54 - QD2   LEU  115   8.29 +/- 1.40   6.805% *  8.3049% (0.89 10.00   0.23   0.02) =   1.102%  kept
          HA    ALA  124 - QD2   LEU  115  14.27 +/- 1.32   0.950% *  0.0649% (0.81  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QD2   LEU  115  17.95 +/- 1.88   0.508% *  0.0674% (0.84  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - QD2   LEU  115  18.48 +/- 1.85   0.469% *  0.0534% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  16.55 +/- 1.74   0.666% *  0.0319% (0.40  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.65 +/- 1.51   0.424% *  0.0378% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.35 +/- 2.05   0.226% *  0.0240% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.95, support = 7.21, residual support = 217.5:
    * O T HB2   LEU  115 - QD2   LEU  115   2.81 +/- 0.40  66.363% * 90.2788% (0.97  10.0 10.00   7.28 222.74) =  97.419%  kept
          QB    GLU- 114 - QD2   LEU  115   5.18 +/- 1.10  19.764% *  7.0561% (0.30   1.0  1.00   5.06  21.68) =   2.268%  kept
          HG3   PRO   58 - QD2   LEU  115   7.58 +/- 1.48   7.773% *  2.4459% (0.96   1.0  1.00   0.54   0.02) =   0.309%  kept
          HB2   LEU   67 - QD2   LEU  115  12.09 +/- 1.98   1.186% *  0.0723% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD2   LEU  115   9.87 +/- 1.24   2.131% *  0.0251% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD2   LEU  115  12.85 +/- 2.14   1.242% *  0.0405% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD2   LEU  115  13.16 +/- 2.20   0.999% *  0.0475% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD2   LEU  115  16.02 +/- 2.02   0.542% *  0.0339% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.747, support = 7.15, residual support = 222.5:
    * O T HG    LEU  115 - QD2   LEU  115   2.11 +/- 0.02  60.341% * 70.4918% (0.84  10.0 10.00   7.11 222.74) =  83.109%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.68 +/- 0.43  34.202% * 25.0823% (0.30  10.0 10.00   7.44 222.74) =  16.762%  kept
          QB    ALA  120 - QD2   LEU  115   7.27 +/- 1.02   1.927% *  3.2185% (0.84   1.0  1.00   0.91   0.02) =   0.121%  kept
        T HB3   LEU   40 - QD2   LEU  115  13.72 +/- 1.79   0.275% *  0.8055% (0.96   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   40 - QD2   LEU  115  12.33 +/- 1.74   0.406% *  0.2508% (0.30   1.0 10.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QD2   LEU  115   8.80 +/- 1.61   1.409% *  0.0181% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  12.81 +/- 2.19   0.345% *  0.0493% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.77 +/- 2.19   0.451% *  0.0334% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.63 +/- 1.51   0.489% *  0.0226% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.18 +/- 1.96   0.156% *  0.0277% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.26, residual support = 222.7:
    * O T QD1   LEU  115 - QD2   LEU  115   2.06 +/- 0.05  98.479% * 99.9055% (0.97  10.0 10.00   7.26 222.74) =  99.999%  kept
          QG1   VAL   75 - QD2   LEU  115   9.17 +/- 1.56   1.521% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 110.4:
    * O T HB2   GLN  116 - HA    GLN  116   2.84 +/- 0.17  94.447% * 98.6426% (1.00  10.0 10.00   5.15 110.41) =  99.994%  kept
          HB2   PRO   58 - HA    GLN  116   8.90 +/- 1.24   3.671% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.002%
        T HB2   GLU- 100 - HA    GLN  116  23.72 +/- 2.23   0.179% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLN  116  13.19 +/- 2.26   1.236% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLN   32 - HA    GLN  116  25.61 +/- 2.75   0.156% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  20.75 +/- 2.86   0.311% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 4.78, residual support = 110.3:
    * O T HG2   GLN  116 - HA    GLN  116   2.59 +/- 0.55  96.365% * 97.3249% (1.00  10.0 10.00   4.79 110.41) =  99.901%  kept
          HB3   PHE   95 - HA    GLN  116   8.88 +/- 1.41   3.502% *  2.6480% (0.99   1.0  1.00   0.55   0.78) =   0.099%
          HG2   GLU-  25 - HA    GLN  116  28.90 +/- 3.95   0.133% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 110.4:
    * O T HA    GLN  116 - HB2   GLN  116   2.84 +/- 0.17  97.801% * 98.1197% (1.00  10.0 10.00   5.15 110.41) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLN  116  29.40 +/- 3.27   0.111% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   GLN  116  28.88 +/- 3.02   0.112% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB2   GLN  116  17.69 +/- 3.54   0.619% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLN  116  19.60 +/- 2.73   0.353% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  17.51 +/- 1.97   0.497% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  26.94 +/- 2.05   0.123% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  26.49 +/- 3.13   0.147% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  22.86 +/- 3.42   0.236% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.999, support = 5.3, residual support = 110.3:
    * O T HG2   GLN  116 - HB2   GLN  116   2.70 +/- 0.22  97.902% * 95.5219% (1.00  10.0 10.00   5.30 110.41) =  99.904%  kept
          HB3   PHE   95 - HB2   GLN  116  10.13 +/- 1.02   2.020% *  4.4515% (0.99   1.0  1.00   0.94   0.78) =   0.096%
          HG2   GLU-  25 - HB2   GLN  116  30.37 +/- 3.99   0.079% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 110.4:
    * O T HA    GLN  116 - HG2   GLN  116   2.59 +/- 0.55  97.439% * 99.5202% (1.00  10.0 10.00   4.79 110.41) =  99.998%  kept
          HA    VAL   70 - HG2   GLN  116  16.82 +/- 3.23   0.824% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLN  116  18.54 +/- 2.41   0.444% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  17.11 +/- 2.53   0.461% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  28.56 +/- 3.09   0.127% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  28.16 +/- 2.91   0.128% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  25.50 +/- 3.14   0.173% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  26.74 +/- 2.03   0.113% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  21.71 +/- 3.12   0.290% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 110.4:
    * O T HB2   GLN  116 - HG2   GLN  116   2.70 +/- 0.22  94.043% * 99.6852% (1.00  10.0 10.00   5.30 110.41) =  99.996%  kept
          HB2   PRO   58 - HG2   GLN  116   8.76 +/- 2.24   4.776% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG2   GLN  116  14.72 +/- 1.95   0.734% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG2   GLN  116  25.13 +/- 2.00   0.129% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  21.45 +/- 2.69   0.214% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  26.71 +/- 2.39   0.103% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 15.3:
    * O T QB    SER  117 - HA    SER  117   2.43 +/- 0.08  88.259% * 93.1049% (1.00  10.0 10.00   1.27  15.36) =  99.671%  kept
          HA    ALA  120 - HA    SER  117   5.94 +/- 0.45   6.467% *  2.8707% (0.41   1.0  1.00   1.50   5.10) =   0.225%  kept
          HA    LYS+ 121 - HA    SER  117   7.48 +/- 0.86   3.544% *  2.3014% (0.84   1.0  1.00   0.59   0.02) =   0.099%
        T HA2   GLY   51 - HA    SER  117  19.61 +/- 2.19   0.197% *  0.8350% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QB    SER   48 - HA    SER  117  20.07 +/- 2.63   0.213% *  0.6023% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    PHE   60 - HA    SER  117  12.19 +/- 1.63   0.819% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HA    SER  117  16.40 +/- 0.96   0.302% *  0.0712% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.78 +/- 1.31   0.088% *  0.1437% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  24.14 +/- 3.90   0.111% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.27, residual support = 15.4:
    * O T HA    SER  117 - QB    SER  117   2.43 +/- 0.08  92.298% * 99.1287% (1.00  10.0 10.00   1.27  15.36) =  99.996%  kept
        T HA1   GLY   51 - QB    SER   48   8.90 +/- 0.65   2.004% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER  117 - QB    SER   48  20.07 +/- 2.63   0.223% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER  117  17.56 +/- 2.13   0.293% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.26 +/- 1.43   0.671% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  12.32 +/- 1.49   0.823% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  17.11 +/- 5.16   0.917% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.78 +/- 1.31   0.092% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  15.57 +/- 3.93   0.964% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  25.20 +/- 2.88   0.101% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.38 +/- 2.88   0.811% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  17.35 +/- 4.41   0.345% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  21.80 +/- 2.79   0.152% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  22.71 +/- 3.50   0.173% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  22.24 +/- 2.52   0.134% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.74, residual support = 270.4:
    * O T HB    ILE  119 - HA    ILE  119   3.01 +/- 0.01  89.234% * 99.2403% (0.87  10.0 10.00   6.74 270.40) =  99.991%  kept
          HB3   PRO   68 - HA    ILE  119  14.03 +/- 4.41   3.078% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    ILE  119  21.29 +/- 4.70   1.125% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    ILE  119  20.21 +/- 4.50   0.951% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    ILE  119  15.31 +/- 3.20   1.196% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    ILE  119  15.90 +/- 2.71   1.014% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HA    ILE  119  14.48 +/- 1.04   0.856% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - HA    ILE  119  21.30 +/- 4.54   0.338% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  14.02 +/- 1.92   1.103% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  18.48 +/- 3.70   0.523% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  19.79 +/- 3.51   0.410% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  27.37 +/- 3.78   0.174% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 270.4:
    * O T QG2   ILE  119 - HA    ILE  119   2.43 +/- 0.10  87.686% * 99.7168% (1.00  10.0 10.00   6.95 270.40) =  99.993%  kept
          QD2   LEU   71 - HA    ILE  119  13.20 +/- 4.94   4.006% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE  103 - HA    ILE  119  14.73 +/- 3.36   0.824% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    ILE  119  10.58 +/- 3.55   3.467% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119  11.29 +/- 3.87   2.295% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  12.81 +/- 3.58   1.356% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.99 +/- 3.30   0.366% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 7.23, residual support = 270.4:
    * O T HG12  ILE  119 - HA    ILE  119   2.89 +/- 0.42  87.882% * 99.4466% (1.00  10.0 10.00   7.23 270.40) =  99.992%  kept
          HB3   PHE   72 - HA    ILE  119  13.18 +/- 3.85   3.779% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HA    ILE  119  12.27 +/- 2.76   1.751% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    ILE  119  10.85 +/- 4.49   3.083% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - HA    ILE  119  19.02 +/- 3.04   1.280% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    ILE  119  25.52 +/- 4.71   0.371% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  21.28 +/- 3.75   0.390% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  20.27 +/- 2.57   0.311% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  19.16 +/- 3.33   0.417% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  20.62 +/- 3.06   0.513% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  25.85 +/- 4.17   0.223% *  0.0153% (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 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.996, support = 7.03, residual support = 269.0:
    * O T HG13  ILE  119 - HA    ILE  119   2.98 +/- 0.52  69.702% * 94.3189% (1.00  10.0 10.00   7.05 270.40) =  99.457%  kept
          HG2   LYS+ 121 - HA    ILE  119   7.14 +/- 0.32   6.039% *  4.7619% (0.31   1.0  1.00   3.27   6.98) =   0.435%  kept
          QG1   VAL  107 - HA    ILE  119   8.04 +/- 2.75  10.347% *  0.6573% (0.15   1.0  1.00   0.90   0.02) =   0.103%  kept
          QG2   VAL  107 - HA    ILE  119   8.91 +/- 2.43  10.283% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 112 - HA    ILE  119  11.58 +/- 1.86   1.865% *  0.0496% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HA    ILE  119  16.51 +/- 3.63   0.915% *  0.0648% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HA    ILE  119  20.43 +/- 4.30   0.401% *  0.0941% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    ILE  119  20.30 +/- 3.95   0.446% *  0.0388% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.14, residual support = 270.4:
    *   T QD1   ILE  119 - HA    ILE  119   3.29 +/- 0.64  93.326% * 99.2846% (0.97 10.00   6.14 270.40) =  99.988%  kept
        T HB    VAL   75 - HA    ILE  119  15.21 +/- 2.41   1.281% *  0.5824% (0.57 10.00   0.02   0.02) =   0.008%
          HB2   LEU  104 - HA    ILE  119  13.40 +/- 4.88   3.201% *  0.0747% (0.73  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - HA    ILE  119  13.09 +/- 2.94   2.192% *  0.0582% (0.57  1.00   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 6.68, residual support = 244.0:
    * O T HA    ILE  119 - HB    ILE  119   3.01 +/- 0.01  84.953% * 50.8167% (0.87  10.0 10.00   6.74 270.40) =  87.284%  kept
        T HA    THR  118 - HB    ILE  119   5.66 +/- 0.12  12.823% * 49.0416% (0.84   1.0 10.00   6.28  62.66) =  12.715%  kept
          HA2   GLY  109 - HB    ILE  119  14.80 +/- 2.43   0.975% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    ILE  119  19.27 +/- 3.82   0.618% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB    ILE  119  22.27 +/- 2.26   0.234% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  18.76 +/- 2.11   0.397% *  0.0089% (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 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 = 6.43, residual support = 270.4:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  96.363% * 99.7168% (0.87  10.0 10.00   6.43 270.40) =  99.998%  kept
          QD2   LEU   71 - HB    ILE  119  14.69 +/- 4.75   0.989% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB    ILE  119  16.16 +/- 2.68   0.308% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  119  11.91 +/- 3.21   1.016% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  14.19 +/- 2.78   0.460% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  13.11 +/- 3.26   0.660% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.03 +/- 3.15   0.204% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 6.35, residual support = 270.4:
    * O T HG12  ILE  119 - HB    ILE  119   2.54 +/- 0.20  94.855% * 99.4466% (0.87  10.0 10.00   6.35 270.40) =  99.997%  kept
          HB3   PHE   72 - HB    ILE  119  14.96 +/- 3.65   0.957% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB    ILE  119  13.31 +/- 2.69   1.047% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HB    ILE  119  12.24 +/- 3.57   1.478% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  18.67 +/- 3.31   0.575% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  20.60 +/- 2.56   0.225% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.53 +/- 3.84   0.180% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  20.63 +/- 3.23   0.233% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.35 +/- 4.47   0.144% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  21.64 +/- 3.11   0.196% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  26.95 +/- 4.12   0.111% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 6.12, residual support = 269.7:
    * O T HG13  ILE  119 - HB    ILE  119   2.72 +/- 0.35  84.741% * 95.5992% (0.87  10.0 10.00   6.14 270.40) =  99.740%  kept
        T QG1   VAL  107 - HB    ILE  119   8.11 +/- 2.15   5.115% *  3.9731% (0.13   1.0 10.00   0.54   0.02) =   0.250%  kept
        T QG2   VAL  107 - HB    ILE  119   8.98 +/- 1.98   3.198% *  0.1475% (0.13   1.0 10.00   0.02   0.02) =   0.006%
          HD3   LYS+ 112 - HB    ILE  119  10.66 +/- 2.10   2.720% *  0.0503% (0.46   1.0  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HB    ILE  119   8.76 +/- 0.33   2.832% *  0.0295% (0.27   1.0  1.00   0.02   6.98) =   0.001%
          QB    ALA   20 - HB    ILE  119  17.47 +/- 3.65   0.746% *  0.0657% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    ILE  119  22.48 +/- 3.71   0.242% *  0.0954% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  21.41 +/- 3.90   0.407% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 270.3:
    * O T QD1   ILE  119 - HB    ILE  119   2.67 +/- 0.34  94.929% * 99.2846% (0.84  10.0 10.00   5.56 270.40) =  99.977%  kept
        T QG2   VAL  108 - HB    ILE  119  13.32 +/- 2.42   3.625% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.022%
          HB2   LEU  104 - HB    ILE  119  15.32 +/- 3.92   0.831% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB    ILE  119  16.48 +/- 2.29   0.615% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.999, support = 6.93, residual support = 266.4:
    * O T HA    ILE  119 - QG2   ILE  119   2.43 +/- 0.10  91.711% * 77.0006% (1.00  10.0 10.00   6.95 270.40) =  98.083%  kept
          HA    THR  118 - QG2   ILE  119   6.06 +/- 0.05   6.052% * 22.7846% (0.97   1.0  1.00   6.13  62.66) =   1.915%  kept
          HB2   TRP   49 - QG2   ILE  119  16.11 +/- 3.82   0.950% *  0.0763% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   ILE  119  13.94 +/- 1.94   0.614% *  0.0559% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  18.97 +/- 2.14   0.225% *  0.0691% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  15.32 +/- 1.95   0.449% *  0.0135% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.42, residual support = 270.4:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  91.111% * 99.2403% (0.87  10.0 10.00   6.43 270.40) =  99.992%  kept
          HB3   PRO   68 - QG2   ILE  119  11.65 +/- 4.47   4.226% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HG3   GLN   30 - QG2   ILE  119  18.41 +/- 3.97   0.625% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QG2   ILE  119  17.57 +/- 3.90   0.694% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   ILE  119  12.48 +/- 2.39   0.802% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - QG2   ILE  119  14.29 +/- 2.07   0.412% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  12.50 +/- 0.95   0.470% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.25 +/- 2.04   0.737% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  15.11 +/- 3.62   0.392% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  19.30 +/- 3.47   0.152% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  16.49 +/- 3.26   0.269% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  23.50 +/- 3.38   0.108% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 270.4:
    * O T HG12  ILE  119 - QG2   ILE  119   3.15 +/- 0.14  82.856% * 99.4466% (1.00  10.0 10.00   6.61 270.40) =  99.988%  kept
          HB3   PHE   72 - QG2   ILE  119  11.78 +/- 3.04   3.293% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HG3   MET   92 - QG2   ILE  119  16.24 +/- 3.24   3.482% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ASP-  44 - QG2   ILE  119  10.98 +/- 2.42   3.145% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ASP- 105 - QG2   ILE  119  10.99 +/- 2.97   3.044% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QG2   ILE  119  22.03 +/- 4.12   0.826% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   ILE  119  17.59 +/- 3.46   0.720% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE  119  16.02 +/- 3.09   0.899% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QG2   ILE  119  17.87 +/- 2.21   0.546% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QG2   ILE  119  17.78 +/- 2.90   0.740% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  21.23 +/- 3.67   0.448% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 270.4:
    * O T HG13  ILE  119 - QG2   ILE  119   2.60 +/- 0.26  81.790% * 99.6771% (1.00  10.0 10.00   6.41 270.40) =  99.992%  kept
          HD3   LYS+ 112 - QG2   ILE  119   9.86 +/- 1.98   4.576% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QG2   ILE  119   7.70 +/- 0.34   3.551% *  0.0308% (0.31   1.0  1.00   0.02   6.98) =   0.001%
          QB    ALA   20 - QG2   ILE  119  13.77 +/- 3.23   1.388% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  107 - QG2   ILE  119   7.94 +/- 1.67   4.164% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QG2   ILE  119   8.61 +/- 1.57   3.546% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG2   ILE  119  18.28 +/- 3.46   0.386% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  17.57 +/- 3.44   0.599% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 270.4:
    *   T QD1   ILE  119 - QG2   ILE  119   1.87 +/- 0.16  98.339% * 99.8078% (0.97 10.00   5.85 270.40) =  99.999%  kept
          QG2   VAL  108 - QG2   ILE  119  12.18 +/- 1.97   0.750% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   ILE  119  12.99 +/- 3.52   0.555% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  13.50 +/- 2.05   0.355% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 7.11, residual support = 240.0:
    * O T HA    ILE  119 - HG12  ILE  119   2.89 +/- 0.42  82.761% * 50.8167% (1.00  10.0 10.00   7.23 270.40) =  85.366%  kept
        T HA    THR  118 - HG12  ILE  119   5.41 +/- 0.17  14.699% * 49.0416% (0.97   1.0 10.00   6.42  62.66) =  14.632%  kept
          HA2   GLY  109 - HG12  ILE  119  13.62 +/- 2.39   1.115% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG12  ILE  119  18.06 +/- 3.18   0.580% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG12  ILE  119  20.17 +/- 2.30   0.302% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  16.71 +/- 2.04   0.542% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.35, residual support = 270.4:
    * O T HB    ILE  119 - HG12  ILE  119   2.54 +/- 0.20  93.186% * 98.6651% (0.87  10.0 10.00   6.35 270.40) =  99.989%  kept
        T HB2   ARG+  54 - HG12  ILE  119  14.02 +/- 2.07   0.990% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.007%
          HB3   PRO   68 - HG12  ILE  119  14.81 +/- 3.58   1.180% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG12  ILE  119  14.05 +/- 2.46   0.797% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG12  ILE  119  12.21 +/- 1.02   0.972% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG12  ILE  119  11.95 +/- 2.11   1.469% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG12  ILE  119  21.44 +/- 3.86   0.289% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.38 +/- 3.68   0.293% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.21 +/- 3.39   0.179% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  18.74 +/- 3.41   0.314% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  20.35 +/- 3.05   0.234% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  26.97 +/- 3.42   0.098% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 270.4:
    * O T QG2   ILE  119 - HG12  ILE  119   3.15 +/- 0.14  84.911% * 99.7168% (1.00  10.0 10.00   6.61 270.40) =  99.992%  kept
          QD2   LEU   71 - HG12  ILE  119  13.55 +/- 4.50   4.043% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          QD1   ILE  103 - HG12  ILE  119  14.76 +/- 2.62   1.126% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  119  10.70 +/- 2.95   4.437% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG12  ILE  119  12.87 +/- 2.75   1.946% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG12  ILE  119  11.95 +/- 2.96   2.703% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG12  ILE  119  16.23 +/- 2.92   0.833% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.14 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 = 6.94, residual support = 270.4:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  92.139% * 99.6771% (1.00  10.0 10.00   6.94 270.40) =  99.998%  kept
          QG1   VAL  107 - HG12  ILE  119   6.82 +/- 2.22   3.450% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HG12  ILE  119   9.32 +/- 1.78   0.972% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  119   7.57 +/- 2.03   2.369% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.21 +/- 0.37   0.646% *  0.0308% (0.31   1.0  1.00   0.02   6.98) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.15 +/- 3.43   0.221% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.66 +/- 3.45   0.076% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  19.73 +/- 3.81   0.128% *  0.0410% (0.41   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 270.4:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  97.830% * 99.8078% (0.97  10.0 10.00   5.90 270.40) =  99.999%  kept
          QG2   VAL  108 - HG12  ILE  119  11.98 +/- 2.29   1.174% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HG12  ILE  119  13.98 +/- 3.62   0.570% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  14.39 +/- 2.28   0.425% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 6.96, residual support = 246.9:
    * O T HA    ILE  119 - HG13  ILE  119   2.98 +/- 0.52  85.470% * 50.8167% (1.00  10.0 10.00   7.05 270.40) =  88.668%  kept
        T HA    THR  118 - HG13  ILE  119   6.20 +/- 0.56  11.316% * 49.0416% (0.97   1.0 10.00   6.23  62.66) =  11.329%  kept
          HA2   GLY  109 - HG13  ILE  119  14.52 +/- 2.26   1.369% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HG13  ILE  119  17.98 +/- 3.33   0.774% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HG13  ILE  119  20.58 +/- 2.03   0.355% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  16.63 +/- 2.06   0.717% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 270.4:
    * O T HB    ILE  119 - HG13  ILE  119   2.72 +/- 0.35  90.427% * 99.2403% (0.87  10.0 10.00   6.14 270.40) =  99.992%  kept
          HB3   PRO   68 - HG13  ILE  119  14.20 +/- 3.59   2.619% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HG13  ILE  119  21.12 +/- 4.12   0.758% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG13  ILE  119  13.74 +/- 2.27   1.046% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG13  ILE  119  20.12 +/- 3.89   0.653% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG13  ILE  119  12.80 +/- 1.39   0.962% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HG13  ILE  119  12.39 +/- 2.09   1.645% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL  108 - HG13  ILE  119  14.98 +/- 2.15   0.622% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG13  ILE  119  18.07 +/- 3.51   0.535% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  22.41 +/- 3.24   0.219% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  19.88 +/- 3.13   0.345% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  26.77 +/- 3.66   0.169% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 270.4:
    * O T QG2   ILE  119 - HG13  ILE  119   2.60 +/- 0.26  89.820% * 99.7168% (1.00  10.0 10.00   6.41 270.40) =  99.995%  kept
          QD2   LEU   71 - HG13  ILE  119  13.35 +/- 4.43   3.036% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD1   ILE  103 - HG13  ILE  119  15.22 +/- 2.45   0.727% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG13  ILE  119  10.45 +/- 2.89   3.203% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG13  ILE  119  13.44 +/- 2.49   1.143% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  12.06 +/- 2.92   1.481% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.84 +/- 3.10   0.591% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 270.4:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  97.150% * 99.4466% (1.00  10.0 10.00   6.94 270.40) =  99.998%  kept
          HB3   PHE   72 - HG13  ILE  119  12.95 +/- 3.66   0.987% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG13  ILE  119  11.20 +/- 2.48   0.634% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.32 +/- 3.09   0.246% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  11.68 +/- 3.15   0.520% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  19.36 +/- 2.32   0.084% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  21.04 +/- 3.52   0.080% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.36 +/- 4.21   0.065% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  19.28 +/- 2.89   0.090% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  19.55 +/- 3.04   0.099% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  25.57 +/- 4.02   0.046% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 270.4:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  98.240% * 99.8078% (0.97  10.0 10.00   5.69 270.40) =  99.999%  kept
          QG2   VAL  108 - HG13  ILE  119  12.74 +/- 2.06   0.779% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  14.47 +/- 3.52   0.564% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  14.38 +/- 2.19   0.416% *  0.0586% (0.57   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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.963, support = 6.12, residual support = 261.1:
    *   T HA    ILE  119 - QD1   ILE  119   3.29 +/- 0.64  79.665% * 78.0051% (0.97 10.00   6.14 270.40) =  95.507%  kept
          HA    THR  118 - QD1   ILE  119   6.30 +/- 0.21  13.476% * 21.6543% (0.93  1.00   5.75  62.66) =   4.485%  kept
        T HA    VAL   75 - QD1   ILE  119  13.67 +/- 2.09   1.448% *  0.1366% (0.17 10.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QD1   ILE  119  14.38 +/- 3.18   2.341% *  0.0773% (0.96  1.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - QD1   ILE  119  12.31 +/- 1.89   2.290% *  0.0566% (0.70  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD1   ILE  119  17.15 +/- 2.33   0.781% *  0.0700% (0.87  1.00   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.56, residual support = 270.3:
    * O T HB    ILE  119 - QD1   ILE  119   2.67 +/- 0.34  84.492% * 98.5836% (0.84  10.0 10.00   5.56 270.40) =  99.978%  kept
        T HB    VAL  108 - QD1   ILE  119  12.81 +/- 1.82   1.310% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.012%
          HB3   PRO   68 - QD1   ILE  119  12.01 +/- 3.41   3.180% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - QD1   ILE  119  10.82 +/- 1.93   2.202% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - QD1   ILE  119  10.13 +/- 2.12   3.686% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - QD1   ILE  119  10.79 +/- 1.30   1.436% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD1   ILE  119  16.69 +/- 3.41   0.747% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QD1   ILE  119  17.52 +/- 3.44   0.644% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE  119  14.71 +/- 3.42   1.053% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD1   ILE  119  19.06 +/- 2.97   0.401% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD1   ILE  119  16.35 +/- 2.90   0.612% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  22.15 +/- 3.29   0.237% *  0.0283% (0.24   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 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.85, residual support = 270.4:
    *   T QG2   ILE  119 - QD1   ILE  119   1.87 +/- 0.16  93.740% * 99.7168% (0.97 10.00   5.85 270.40) =  99.997%  kept
          QD2   LEU   71 - QD1   ILE  119  11.22 +/- 3.55   1.093% *  0.0865% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD1   ILE  119   8.65 +/- 2.67   2.455% *  0.0197% (0.19  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - QD1   ILE  119  12.94 +/- 2.09   0.414% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.36 +/- 2.50   1.238% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.53 +/- 2.07   0.627% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.98 +/- 2.77   0.432% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 270.4:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  90.414% * 99.4466% (0.97  10.0 10.00   5.90 270.40) =  99.994%  kept
          HB2   ASP-  44 - QD1   ILE  119   9.22 +/- 2.60   2.927% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   72 - QD1   ILE  119  10.74 +/- 3.01   1.883% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HG3   MET   92 - QD1   ILE  119  14.19 +/- 2.95   1.927% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QD1   ILE  119  10.26 +/- 2.43   1.370% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  16.10 +/- 2.33   0.266% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.28 +/- 3.21   0.255% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  15.86 +/- 2.72   0.293% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.06 +/- 3.71   0.174% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.08 +/- 2.93   0.359% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  21.01 +/- 3.33   0.132% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 270.4:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  83.267% * 99.6771% (0.97  10.0 10.00   5.69 270.40) =  99.993%  kept
          HD3   LYS+ 112 - QD1   ILE  119   7.83 +/- 2.06   5.567% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL  107 - QD1   ILE  119   6.71 +/- 1.52   4.372% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   ILE  119  12.79 +/- 3.13   0.934% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD1   ILE  119   7.17 +/- 1.52   4.056% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QD1   ILE  119   9.04 +/- 0.46   1.157% *  0.0308% (0.30   1.0  1.00   0.02   6.98) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  17.34 +/- 3.19   0.233% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  16.27 +/- 3.49   0.413% *  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 = 2.32, residual support = 13.3:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.02  93.036% * 85.5096% (0.95  10.0 10.00   2.31  13.37) =  99.367%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.52 +/- 0.62   3.619% * 13.9474% (0.15   1.0 10.00   4.42   2.69) =   0.630%  kept
          HG    LEU  115 - HA    ALA  120  11.55 +/- 1.28   0.672% *  0.0855% (0.95   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    ALA  120  16.63 +/- 2.71   0.275% *  0.1789% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    ALA  120  17.05 +/- 5.26   0.368% *  0.0902% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.98 +/- 0.95   0.765% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  15.59 +/- 5.39   0.550% *  0.0476% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  16.18 +/- 4.82   0.411% *  0.0372% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  21.08 +/- 3.43   0.120% *  0.0440% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.90 +/- 4.13   0.183% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 2.35, residual support = 13.1:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.02  76.911% * 84.0499% (0.95  10.0 10.00   2.31  13.37) =  97.067%  kept
          HA    LYS+ 121 - QB    ALA  120   3.83 +/- 0.06  13.226% * 13.3261% (0.72   1.0  1.00   4.15   2.69) =   2.647%  kept
          QB    SER  117 - QB    ALA  120   4.61 +/- 0.45   8.656% *  2.1972% (0.39   1.0  1.00   1.27   5.10) =   0.286%  kept
          HA    LYS+  65 - QB    ALA  120  15.05 +/- 2.13   0.267% *  0.0642% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.85 +/- 1.01   0.194% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  18.47 +/- 2.34   0.147% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  19.40 +/- 3.90   0.142% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  18.34 +/- 2.34   0.151% *  0.0577% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.29 +/- 1.32   0.069% *  0.0702% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  17.03 +/- 2.90   0.237% *  0.0166% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.941, support = 7.94, residual support = 297.6:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.97 +/- 0.07  48.259% * 77.1432% (1.00  10.0 10.00   8.30 313.68) =  92.897%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.48 +/- 0.54  32.184% *  4.8312% (0.06   1.0 10.00   4.88 157.75) =   3.880%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.51 +/- 0.58   8.219% * 15.6147% (0.31   1.0 10.00   1.31   2.24) =   3.202%  kept
        T QD    LYS+  65 - HA    LYS+ 121  16.71 +/- 2.85   0.498% *  0.7697% (1.00   1.0 10.00   0.02   0.02) =   0.010%
        T QD    LYS+  38 - HA    LYS+ 121  20.52 +/- 5.46   0.256% *  0.6918% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T QD    LYS+ 102 - HA    LYS+ 121  18.93 +/- 5.97   0.334% *  0.4059% (0.53   1.0 10.00   0.02   0.02) =   0.003%
        T HD3   LYS+ 111 - HA    LYS+ 121  19.18 +/- 1.80   0.200% *  0.2145% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    LYS+ 121  13.62 +/- 2.67   0.906% *  0.0238% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  16.42 +/- 2.41   0.427% *  0.0484% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HA    LYS+  65  17.91 +/- 2.55   0.395% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65   8.78 +/- 3.52   5.366% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.85 +/- 3.54   0.171% *  0.0468% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.27 +/- 3.49   0.098% *  0.0756% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.62 +/- 2.02   0.210% *  0.0263% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  17.16 +/- 3.19   0.316% *  0.0149% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.22 +/- 2.50   0.159% *  0.0255% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  22.19 +/- 3.64   0.233% *  0.0135% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.53 +/- 1.67   1.076% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  18.64 +/- 2.93   0.264% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  17.25 +/- 3.87   0.431% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.34, residual support = 313.7:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.42 +/- 0.34  89.141% * 99.6412% (1.00  10.0 10.00   7.34 313.68) =  99.996%  kept
          QG2   VAL  107 - HA    LYS+ 121  11.13 +/- 2.97   1.765% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  119 - HA    LYS+ 121   8.87 +/- 0.37   2.182% *  0.0308% (0.31   1.0  1.00   0.02   6.98) =   0.001%
          HG13  ILE  103 - HA    LYS+ 121  17.57 +/- 5.78   0.560% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  18.42 +/- 2.88   0.369% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  20.66 +/- 3.72   0.215% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65   9.16 +/- 1.94   3.288% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  23.14 +/- 5.23   0.184% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.35 +/- 1.64   0.552% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  12.74 +/- 1.73   0.935% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  18.92 +/- 2.95   0.363% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  17.01 +/- 2.07   0.447% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.72, residual support = 313.1:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.35 +/- 0.33  75.564% * 97.8803% (1.00  10.0 10.00   6.73 313.68) =  99.806%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.10 +/- 0.46   8.518% *  1.6142% (0.49   1.0  1.00   0.68   2.24) =   0.186%  kept
        T QD2   LEU   73 - HA    LYS+ 121  17.49 +/- 3.23   0.848% *  0.3339% (0.34   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   73 - HA    LYS+  65   8.75 +/- 1.34   6.526% *  0.0210% (0.02   1.0 10.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HA    LYS+ 121  12.49 +/- 1.21   1.765% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HA    LYS+  65  18.12 +/- 3.05   1.204% *  0.0614% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    LYS+ 121  23.36 +/- 5.08   0.484% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  11.79 +/- 1.53   2.248% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  13.74 +/- 3.01   1.809% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  15.72 +/- 2.03   1.035% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.65, support = 7.75, residual support = 301.8:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.74 +/- 0.46  15.529% * 69.2258% (1.00   1.0 10.00   7.73 313.68) =  51.969%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.57 +/- 0.22  39.539% * 21.3664% (0.31  10.0 10.00   8.22 313.68) =  40.841%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.95 +/- 0.70  32.094% *  4.3065% (0.06  10.0 10.00   5.27 157.75) =   6.682%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.33 +/- 0.67   2.744% *  3.4792% (0.05   1.0 10.00   5.66  30.87) =   0.462%  kept
        T QD    LYS+  66 - HA    LYS+ 121  14.05 +/- 4.69   1.345% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.036%
        T HG2   LYS+  65 - HA    LYS+ 121  18.47 +/- 3.07   0.194% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.006%
        T HD3   LYS+  74 - HA    LYS+  65   9.28 +/- 3.50   4.174% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HA    LYS+ 121  15.27 +/- 7.23   0.554% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+ 121  22.23 +/- 3.81   0.085% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HA    LYS+  65  17.03 +/- 2.70   0.183% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.26 +/- 3.89   0.107% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.97 +/- 3.61   0.100% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.88 +/- 2.60   1.553% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  16.15 +/- 5.77   0.414% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  17.16 +/- 2.82   0.216% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.99 +/- 1.94   0.150% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  12.89 +/- 1.83   0.383% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.49 +/- 1.49   0.390% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.91 +/- 2.38   0.116% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.67 +/- 3.02   0.130% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.962, support = 6.61, residual support = 254.1:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.99 +/- 0.89  63.955% * 55.8174% (1.00   6.70 313.68) =  77.036%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.97 +/- 0.24  24.216% * 43.9352% (0.84   6.32  54.35) =  22.960%  kept
          HG2   GLN   30 - HA    LYS+ 121  25.44 +/- 5.14   0.857% *  0.1144% (0.69   0.02   0.02) =   0.002%
          QE    LYS+ 121 - HA    LYS+  65  16.12 +/- 3.15   3.380% *  0.0105% (0.06   0.02   0.02) =   0.001%
          HB3   ASN   28 - HA    LYS+ 121  28.04 +/- 4.72   0.341% *  0.0747% (0.45   0.02   0.02) =   0.001%
          HG2   GLN   30 - HA    LYS+  65  13.98 +/- 2.22   2.982% *  0.0072% (0.04   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    LYS+  65  14.13 +/- 2.93   2.126% *  0.0087% (0.05   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  28.09 +/- 3.24   0.263% *  0.0257% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  19.78 +/- 2.04   0.755% *  0.0047% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  17.92 +/- 3.45   1.126% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 304.3:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.97 +/- 0.07  76.809% * 81.8943% (1.00  10.0 10.00   8.30 313.68) =  96.999%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.68 +/- 0.20  11.115% * 17.4280% (0.76   1.0  1.00   5.57   2.69) =   2.987%  kept
          QB    SER  117 - HB2   LYS+ 121   6.53 +/- 0.88   8.438% *  0.0684% (0.84   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LYS+  65 - HB2   LYS+ 121  16.42 +/- 2.41   0.659% *  0.2793% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   94 - HB2   LYS+ 121  16.50 +/- 2.15   0.508% *  0.0812% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HB2   LYS+ 121  11.80 +/- 1.68   1.490% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LYS+ 121  22.01 +/- 3.18   0.283% *  0.0812% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  21.15 +/- 2.48   0.268% *  0.0775% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  21.47 +/- 3.80   0.265% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  23.82 +/- 2.68   0.165% *  0.0337% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 7.74, residual support = 313.2:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.95 +/- 0.12  84.052% * 98.1221% (1.00  10.0 10.00   7.75 313.68) =  99.859%  kept
          HG13  ILE  119 - HB2   LYS+ 121   7.12 +/- 0.71   6.677% *  1.6337% (0.31   1.0  1.00   1.08   6.98) =   0.132%  kept
          QG2   VAL  107 - HB2   LYS+ 121   9.22 +/- 3.13   6.934% *  0.0906% (0.92   1.0  1.00   0.02   0.02) =   0.008%
          HG13  ILE  103 - HB2   LYS+ 121  15.55 +/- 5.45   1.459% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB2   LYS+ 121  18.87 +/- 3.58   0.492% *  0.0786% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  21.08 +/- 4.73   0.386% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.994, support = 7.11, residual support = 310.2:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.70 +/- 0.19  92.328% * 80.7187% (1.00  10.0 10.00   7.18 313.68) =  98.897%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.87 +/- 0.57   4.368% * 18.9391% (0.49   1.0 10.00   0.96   2.24) =   1.098%  kept
        T QD2   LEU   73 - HB2   LYS+ 121  15.51 +/- 3.26   0.963% *  0.2753% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD1   ILE   56 - HB2   LYS+ 121  10.78 +/- 1.40   1.868% *  0.0490% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   LYS+ 121  21.16 +/- 4.61   0.473% *  0.0180% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.12 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 = 0.739, support = 8.44, residual support = 313.6:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.30 +/- 0.40  33.106% * 74.7463% (1.00  10.0 10.00   8.27 313.68) =  62.238%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  65.056% * 23.0703% (0.31  10.0 10.00   8.74 313.68) =  37.748%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  13.14 +/- 4.14   0.637% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.74 +/- 2.92   0.150% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.63 +/- 3.59   0.081% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.92 +/- 3.64   0.068% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  13.73 +/- 6.73   0.384% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  14.59 +/- 5.20   0.341% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.48 +/- 3.52   0.055% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.25 +/- 1.96   0.124% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 7.02, residual support = 259.0:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.61 +/- 0.39  72.932% * 56.6947% (1.00   7.15 313.68) =  78.926%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.36 +/- 0.45  25.613% * 43.1009% (0.84   6.51  54.35) =  21.072%  kept
          HG2   GLN   30 - HB2   LYS+ 121  23.35 +/- 4.60   0.810% *  0.1089% (0.69   0.02   0.02) =   0.002%
          HB3   ASN   28 - HB2   LYS+ 121  25.81 +/- 4.30   0.357% *  0.0711% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  25.62 +/- 3.17   0.288% *  0.0245% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 7.32, residual support = 311.1:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.42 +/- 0.34  88.818% * 84.3267% (1.00  10.0 10.00   7.34 313.68) =  99.163%  kept
          HA    ALA  120 - HG2   LYS+ 121   6.87 +/- 0.31   4.187% * 14.9755% (0.76   1.0  1.00   4.65   2.69) =   0.830%  kept
          QB    SER  117 - HG2   LYS+ 121   7.88 +/- 1.40   5.071% *  0.0704% (0.84   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HG2   LYS+ 121  18.42 +/- 2.88   0.366% *  0.2876% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG2   LYS+ 121  18.46 +/- 2.66   0.331% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.24 +/- 1.54   0.639% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  24.19 +/- 3.45   0.163% *  0.0836% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  23.10 +/- 2.71   0.142% *  0.0798% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  22.91 +/- 3.96   0.165% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  25.12 +/- 3.24   0.118% *  0.0347% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.75, residual support = 313.7:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.95 +/- 0.12  88.774% * 99.4783% (1.00  10.0 10.00   7.75 313.68) =  99.994%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.58 +/- 0.62   5.589% *  0.0307% (0.31   1.0  1.00   0.02   2.24) =   0.002%
          QD    LYS+  65 - HG2   LYS+ 121  17.04 +/- 3.39   1.335% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HG2   LYS+ 121  13.86 +/- 2.85   1.670% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HG2   LYS+ 121  20.04 +/- 5.24   0.524% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HG2   LYS+ 121  17.92 +/- 6.51   0.849% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+ 121  24.41 +/- 4.07   0.216% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  21.70 +/- 3.58   0.331% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.54 +/- 2.05   0.351% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  19.27 +/- 2.35   0.361% *  0.0277% (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 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 313.7:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  98.588% * 99.3314% (1.00  10.0 10.00   6.31 313.68) =  99.999%  kept
        T QD2   LEU   73 - HG2   LYS+ 121  17.18 +/- 3.16   0.166% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HG2   LYS+ 121   8.68 +/- 0.53   0.853% *  0.0483% (0.49   1.0  1.00   0.02   2.24) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  22.72 +/- 4.83   0.084% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.70 +/- 1.42   0.309% *  0.0602% (0.61   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 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.821, support = 7.33, residual support = 313.6:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.84 +/- 0.13  44.301% * 75.5250% (1.00  10.0 10.00   7.21 313.68) =  74.135%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.72 +/- 0.15  50.009% * 23.3106% (0.31  10.0 10.00   7.69 313.68) =  25.830%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  14.68 +/- 4.68   2.364% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.032%
        T HB3   LYS+ 111 - HG2   LYS+ 121  17.09 +/- 2.70   0.264% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HG2   LYS+ 121  14.21 +/- 7.81   1.546% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG2   LYS+ 121  18.81 +/- 3.50   0.425% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   LYS+ 121  22.06 +/- 3.90   0.135% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  15.78 +/- 5.54   0.710% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.76 +/- 3.68   0.138% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.98 +/- 3.60   0.109% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 6.3, residual support = 309.1:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.62 +/- 0.50  92.254% * 81.5348% (1.00  10.0   6.31 313.68) =  98.246%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.79 +/- 0.59   7.312% * 18.3600% (0.84   1.0   5.39  54.35) =   1.753%  kept
          HG2   GLN   30 - HG2   LYS+ 121  25.06 +/- 4.70   0.205% *  0.0560% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  27.34 +/- 4.56   0.123% *  0.0366% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  27.58 +/- 3.47   0.106% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.996, support = 6.69, residual support = 309.4:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.35 +/- 0.33  58.910% * 85.4504% (1.00  10.0 10.00   6.73 313.68) =  98.620%  kept
          HA    ALA  120 - HG3   LYS+ 121   7.66 +/- 0.22   5.086% * 13.0442% (0.76   1.0  1.00   3.99   2.69) =   1.300%  kept
          HA    PHE   60 - QD2   LEU   73   9.24 +/- 2.51   9.078% *  0.2516% (0.09   1.0  1.00   0.62   1.29) =   0.045%
        T HA    LYS+  65 - QD2   LEU   73   8.75 +/- 1.34   4.891% *  0.0994% (0.12   1.0 10.00   0.02   0.02) =   0.010%
          QB    SER  117 - HG3   LYS+ 121   7.61 +/- 1.12   6.196% *  0.0714% (0.84   1.0  1.00   0.02   0.02) =   0.009%
        T HA    LYS+  65 - HG3   LYS+ 121  18.12 +/- 3.05   0.941% *  0.2915% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T HA    LYS+ 121 - QD2   LEU   73  17.49 +/- 3.23   0.641% *  0.2914% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QB    SER   48 - QD2   LEU   73  12.32 +/- 2.45   3.079% *  0.0276% (0.32   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD2   LEU   73  11.23 +/- 2.03   2.566% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HG3   LYS+ 121  17.55 +/- 2.89   0.560% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD2   LEU   73  15.36 +/- 3.17   1.406% *  0.0243% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HG3   LYS+ 121  13.87 +/- 1.88   1.097% *  0.0238% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD2   LEU   73  11.46 +/- 3.04   2.007% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  16.55 +/- 2.97   0.774% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  22.70 +/- 2.69   0.271% *  0.0808% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  23.98 +/- 3.23   0.242% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  17.20 +/- 3.14   0.639% *  0.0223% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  13.78 +/- 1.73   1.121% *  0.0120% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  22.74 +/- 4.03   0.294% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  24.22 +/- 3.52   0.201% *  0.0351% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.995, support = 7.16, residual support = 311.7:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.70 +/- 0.19  73.053% * 89.4873% (1.00  10.0 10.00   7.18 313.68) =  99.296%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.83 +/- 1.10   6.699% *  5.0413% (0.21   1.0  1.00   5.45  41.36) =   0.513%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.54 +/- 0.56   2.593% *  4.5831% (0.31   1.0 10.00   0.33   2.24) =   0.181%  kept
        T HB2   LYS+ 121 - QD2   LEU   73  15.51 +/- 3.26   0.762% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD    LYS+  65 - HG3   LYS+ 121  16.88 +/- 3.58   1.243% *  0.0893% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   83 - QD2   LEU   73  10.27 +/- 2.70   2.656% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD2   LEU   73   9.78 +/- 1.28   2.068% *  0.0304% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - QD2   LEU   73  10.96 +/- 2.90   3.844% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+ 121  13.75 +/- 2.87   1.083% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  17.16 +/- 6.38   0.563% *  0.0471% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  19.63 +/- 5.05   0.327% *  0.0803% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.55 +/- 1.27   0.870% *  0.0274% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.58 +/- 3.14   1.458% *  0.0161% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  21.10 +/- 3.73   0.277% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  23.49 +/- 4.40   0.163% *  0.0877% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.08 +/- 3.03   1.116% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.89 +/- 2.01   0.236% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  18.78 +/- 2.10   0.251% *  0.0249% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.80 +/- 3.32   0.363% *  0.0094% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.19 +/- 3.87   0.376% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 6.29, residual support = 312.4:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  79.791% * 96.8164% (1.00  10.0 10.00   6.31 313.68) =  99.590%  kept
          QB    ALA   20 - QD2   LEU   73   5.87 +/- 2.01  14.327% *  2.1918% (0.27   1.0  1.00   1.66   0.02) =   0.405%  kept
        T HB3   LEU   31 - QD2   LEU   73   7.76 +/- 2.29   1.493% *  0.0918% (0.09   1.0 10.00   0.02   1.62) =   0.002%
          QG2   VAL  107 - HG3   LYS+ 121  10.08 +/- 3.66   1.032% *  0.0894% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - QD2   LEU   73  17.18 +/- 3.16   0.136% *  0.3301% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - QD2   LEU   73  11.36 +/- 2.39   1.445% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - HG3   LYS+ 121  21.66 +/- 5.01   0.070% *  0.2692% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.63 +/- 0.58   0.502% *  0.0299% (0.31   1.0  1.00   0.02   6.98) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  15.44 +/- 6.39   0.310% *  0.0471% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.53 +/- 2.23   0.371% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  20.19 +/- 3.74   0.074% *  0.0775% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.28 +/- 3.09   0.450% *  0.0102% (0.11   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 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 = 0.747, support = 6.72, residual support = 308.8:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.90 +/- 0.10  27.013% * 67.5727% (1.00  10.0 10.00   6.62 313.68) =  63.681%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.39 +/- 0.19  47.492% * 20.8561% (0.31  10.0 10.00   7.02 313.68) =  34.557%  kept
          HB2   LYS+  74 - QD2   LEU   73   5.59 +/- 1.04   6.114% *  5.3001% (0.26   1.0  1.00   6.02  41.36) =   1.131%  kept
        T HD3   LYS+  74 - QD2   LEU   73   7.72 +/- 1.33   3.262% *  4.5601% (0.07   1.0 10.00   2.90  41.36) =   0.519%  kept
          QG2   THR   26 - QD2   LEU   73   5.99 +/- 2.22   6.848% *  0.2794% (0.33   1.0  1.00   0.25   0.02) =   0.067%
        T QD    LYS+  66 - HG3   LYS+ 121  14.72 +/- 4.60   1.860% *  0.5411% (0.80   1.0 10.00   0.02   0.02) =   0.035%
        T QD    LYS+  66 - QD2   LEU   73  11.48 +/- 1.15   0.469% *  0.1845% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T HD2   LYS+ 121 - QD2   LEU   73  15.91 +/- 3.00   0.278% *  0.2304% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU  104 - HG3   LYS+ 121  13.35 +/- 7.71   1.716% *  0.0209% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HG3   LYS+ 121  18.55 +/- 3.74   0.416% *  0.0670% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU   73  10.17 +/- 1.70   0.941% *  0.0228% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - QD2   LEU   73  16.18 +/- 3.45   0.282% *  0.0711% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG3   LYS+ 121  21.48 +/- 4.00   0.109% *  0.1337% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HG3   LYS+ 121  15.25 +/- 5.49   0.600% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.15 +/- 3.94   0.118% *  0.0516% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   9.04 +/- 1.69   1.361% *  0.0040% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  22.49 +/- 3.64   0.079% *  0.0652% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  12.90 +/- 2.15   0.476% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  16.59 +/- 2.54   0.206% *  0.0150% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.01 +/- 3.70   0.360% *  0.0051% (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 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.997, support = 5.98, residual support = 310.0:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.62 +/- 0.54  71.494% * 81.8969% (1.00  10.0   6.00 313.68) =  98.600%  kept
          HB3   HIS  122 - HG3   LYS+ 121   7.29 +/- 0.43   4.205% * 17.3932% (0.84   1.0   5.09  54.35) =   1.232%  kept
          HG2   GLN   30 - QD2   LEU   73   5.70 +/- 2.55  18.509% *  0.5361% (0.23   1.0   0.56   3.60) =   0.167%  kept
          HB3   ASN   28 - QD2   LEU   73   9.43 +/- 2.51   3.020% *  0.0125% (0.15   1.0   0.02   1.06) =   0.001%
          QE    LYS+ 121 - QD2   LEU   73  14.75 +/- 2.86   0.755% *  0.0279% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  14.40 +/- 3.25   0.752% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  24.46 +/- 4.70   0.163% *  0.0563% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.54 +/- 4.53   0.110% *  0.0367% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  12.72 +/- 1.57   0.886% *  0.0043% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  26.83 +/- 3.57   0.107% *  0.0126% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.961, support = 7.27, residual support = 271.1:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.74 +/- 0.46  28.716% * 54.8045% (1.00 10.00   7.73 313.68) =  86.246%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.52 +/- 0.62   5.533% * 41.8831% (0.76 10.00   4.42   2.69) =  12.699%  kept
        T HA    LYS+  65 - QD    LYS+  66   6.33 +/- 0.67   6.580% *  2.3246% (0.04 10.00   5.66  30.87) =   0.838%  kept
          QB    SER  117 - HD2   LYS+ 121   6.78 +/- 2.10   9.841% *  0.3108% (0.84  1.00   0.14   0.02) =   0.168%  kept
        T HA    LYS+ 121 - QD    LYS+  66  14.05 +/- 4.69   4.024% *  0.0681% (0.12 10.00   0.02   0.02) =   0.015%
        T HA    LYS+  65 - HD3   LYS+  74   9.28 +/- 3.50   7.624% *  0.0292% (0.05 10.00   0.02   0.02) =   0.012%
        T HA    LYS+  65 - HD2   LYS+ 121  17.03 +/- 2.70   0.549% *  0.1869% (0.34 10.00   0.02   0.02) =   0.006%
          QB    SER   48 - HD3   LYS+  74  10.61 +/- 4.69   8.225% *  0.0081% (0.15  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - QD    LYS+  66  16.10 +/- 5.33   7.917% *  0.0064% (0.12  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - QD    LYS+  66  17.18 +/- 5.88   3.715% *  0.0068% (0.12  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - HD2   LYS+ 121  16.90 +/- 2.21   0.337% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HD3   LYS+  74  22.23 +/- 3.81   0.198% *  0.0855% (0.16 10.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    LYS+  66  12.23 +/- 4.66   2.672% *  0.0052% (0.10  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD2   LYS+ 121  12.48 +/- 1.25   0.889% *  0.0152% (0.28  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD3   LYS+  74  15.05 +/- 4.53   1.475% *  0.0085% (0.15  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HD2   LYS+ 121  22.37 +/- 3.67   0.227% *  0.0543% (0.99  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD2   LYS+ 121  21.47 +/- 2.75   0.186% *  0.0518% (0.95  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD    LYS+  66  13.33 +/- 3.23   1.468% *  0.0057% (0.10  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74  10.52 +/- 3.01   3.231% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  13.57 +/- 2.27   0.695% *  0.0085% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  22.00 +/- 3.65   0.214% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.30 +/- 0.59   1.998% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  11.80 +/- 2.38   1.276% *  0.0028% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  17.14 +/- 2.77   0.501% *  0.0068% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.72 +/- 4.16   0.837% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  24.00 +/- 2.80   0.121% *  0.0225% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.82 +/- 2.50   0.278% *  0.0071% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  21.16 +/- 3.82   0.219% *  0.0065% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.44 +/- 1.48   0.311% *  0.0035% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  22.76 +/- 1.79   0.145% *  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 = 0.841, support = 7.42, residual support = 287.6:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.30 +/- 0.40  28.724% * 79.1506% (1.00  10.0 10.00   8.27 313.68) =  82.339%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  56.520% *  7.4880% (0.09  10.0  1.00   3.34 186.67) =  15.328%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.31 +/- 1.50   6.482% *  9.8204% (0.12   1.0 10.00   4.28  30.87) =   2.305%  kept
        T QD    LYS+  65 - HD3   LYS+  74   9.26 +/- 3.76   2.983% *  0.1232% (0.16   1.0 10.00   0.02   0.02) =   0.013%
        T QD    LYS+  65 - HD2   LYS+ 121  15.79 +/- 3.35   0.186% *  0.7897% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HB2   LYS+ 121 - QD    LYS+  66  13.14 +/- 4.14   0.556% *  0.0984% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  38 - HD2   LYS+ 121  19.84 +/- 4.59   0.065% *  0.7098% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HD2   LYS+ 121  17.85 +/- 5.55   0.087% *  0.4164% (0.53   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+  74 - HD2   LYS+ 121  20.06 +/- 3.34   0.059% *  0.4801% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HD2   LYS+ 121   7.56 +/- 0.56   0.748% *  0.0244% (0.31   1.0  1.00   0.02   2.24) =   0.001%
        T HD3   LYS+ 111 - HD2   LYS+ 121  17.80 +/- 2.34   0.068% *  0.2201% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - QD    LYS+  66  16.97 +/- 3.03   0.136% *  0.0883% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.62 +/- 4.12   0.325% *  0.0274% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  12.44 +/- 2.98   0.353% *  0.0244% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  19.92 +/- 3.64   0.059% *  0.1235% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  20.57 +/- 3.47   0.063% *  0.1107% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.67 +/- 2.83   0.038% *  0.0650% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  23.15 +/- 3.41   0.031% *  0.0776% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  20.17 +/- 1.98   0.041% *  0.0518% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66  12.47 +/- 4.94   0.661% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  12.17 +/- 3.15   0.299% *  0.0060% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.84 +/- 1.92   0.062% *  0.0270% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  14.03 +/- 2.37   0.138% *  0.0121% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74  11.57 +/- 3.83   0.404% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  14.00 +/- 3.35   0.299% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  21.79 +/- 2.60   0.036% *  0.0343% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  10.69 +/- 2.00   0.406% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  20.29 +/- 1.66   0.039% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.93 +/- 3.40   0.090% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  21.97 +/- 4.12   0.040% *  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 = 7.21, residual support = 313.6:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.84 +/- 0.13  65.996% * 99.3656% (1.00  10.0 10.00   7.21 313.68) =  99.980%  kept
        T HG2   LYS+ 121 - QD    LYS+  66  14.68 +/- 4.68   3.767% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.007%
          QG2   VAL  107 - HD2   LYS+ 121   9.46 +/- 3.46   4.925% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.007%
          QB    ALA   20 - HD3   LYS+  74   6.29 +/- 2.95  11.711% *  0.0124% (0.12   1.0  1.00   0.02   6.57) =   0.002%
          HG13  ILE  119 - HD2   LYS+ 121   7.86 +/- 0.90   3.480% *  0.0307% (0.31   1.0  1.00   0.02   6.98) =   0.002%
          HG13  ILE  103 - HD2   LYS+ 121  15.74 +/- 5.48   0.823% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HD3   LYS+  74  22.06 +/- 3.90   0.204% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  19.31 +/- 3.44   0.293% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  13.08 +/- 2.40   1.626% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  11.81 +/- 1.83   1.252% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66  10.25 +/- 2.90   2.753% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  14.63 +/- 1.71   0.536% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.49 +/- 4.38   0.221% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.11 +/- 2.71   0.974% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  15.91 +/- 3.34   0.559% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  18.51 +/- 2.78   0.288% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.69 +/- 2.36   0.285% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  18.49 +/- 2.41   0.306% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 313.6:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.90 +/- 0.10  59.862% * 99.1222% (1.00  10.0 10.00   6.62 313.68) =  99.973%  kept
        T HG3   LYS+ 121 - QD    LYS+  66  14.72 +/- 4.60   4.208% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.009%
        T QD2   LEU   73 - HD3   LYS+  74   7.72 +/- 1.33   7.219% *  0.0527% (0.05   1.0 10.00   0.02  41.36) =   0.006%
        T QD2   LEU   73 - HD2   LYS+ 121  15.91 +/- 3.00   0.693% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          QD2   LEU  123 - HD2   LYS+ 121   8.46 +/- 0.46   2.560% *  0.0482% (0.49   1.0  1.00   0.02   2.24) =   0.002%
          QD1   ILE   56 - HD2   LYS+ 121  11.14 +/- 1.68   1.615% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - QD    LYS+  66   9.55 +/- 4.20  13.555% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD    LYS+  66  11.48 +/- 1.15   1.115% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HD3   LYS+  74  11.64 +/- 3.06   4.968% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HD3   LYS+  74  21.48 +/- 4.00   0.266% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD    LYS+  66  10.59 +/- 1.78   1.639% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  21.61 +/- 4.08   0.246% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.12 +/- 2.35   1.157% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  18.01 +/- 3.53   0.390% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  17.78 +/- 2.37   0.508% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.997, support = 6.51, residual support = 308.4:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.24 +/- 0.10  82.007% * 79.9121% (1.00  10.0  1.00   6.52 313.68) =  97.959%  kept
          HB3   HIS  122 - HD2   LYS+ 121   5.97 +/- 1.43   7.064% * 19.2823% (0.84   1.0  1.00   5.78  54.35) =   2.036%  kept
        T HG2   GLN   30 - HD3   LYS+  74  12.50 +/- 3.08   2.293% *  0.0856% (0.11   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   GLN   30 - HD2   LYS+ 121  23.85 +/- 4.06   0.151% *  0.5489% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HB3   HIS  122 - QD    LYS+  66  10.89 +/- 4.27   3.711% *  0.0083% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  13.23 +/- 4.15   1.982% *  0.0099% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  16.84 +/- 2.10   0.279% *  0.0683% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  19.07 +/- 3.80   0.291% *  0.0125% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  26.20 +/- 3.86   0.075% *  0.0358% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  18.49 +/- 3.83   0.238% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.74 +/- 2.03   1.118% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  16.88 +/- 2.53   0.290% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  21.66 +/- 2.94   0.277% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  26.02 +/- 3.24   0.068% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  19.69 +/- 2.72   0.159% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.3:
    * O T HB2   HIS  122 - HA    HIS  122   2.50 +/- 0.20  99.243% * 99.8210% (1.00  10.0 10.00   2.76  71.33) =  99.999%  kept
          HA    LYS+ 112 - HA    HIS  122  16.13 +/- 0.92   0.421% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  19.21 +/- 2.93   0.336% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.79, residual support = 70.4:
    * O T HB3   HIS  122 - HA    HIS  122   2.90 +/- 0.25  68.238% * 87.8794% (1.00  10.0 10.00   3.82  71.33) =  94.320%  kept
          QE    LYS+ 121 - HA    HIS  122   5.43 +/- 1.82  29.990% * 12.0391% (0.84   1.0  1.00   3.28  54.35) =   5.679%  kept
          HG2   GLN   30 - HA    HIS  122  22.81 +/- 5.70   1.325% *  0.0300% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASN   28 - HA    HIS  122  25.92 +/- 5.77   0.322% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  26.88 +/- 3.57   0.126% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 71.3:
    * O T HA    HIS  122 - HB2   HIS  122   2.50 +/- 0.20  97.873% * 99.8702% (1.00  10.0 10.00   2.76  71.33) =  99.999%  kept
          HA    VAL   41 - HB2   HIS  122  15.00 +/- 5.91   1.614% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   45 - HB2   HIS  122  18.18 +/- 2.45   0.315% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.71 +/- 2.68   0.199% *  0.0249% (0.25   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 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 = 3.72, residual support = 71.2:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  94.727% * 85.9471% (1.00  10.0 10.00   3.72  71.33) =  99.275%  kept
          QE    LYS+ 121 - HB2   HIS  122   6.81 +/- 1.87   4.255% * 13.9732% (0.84   1.0  1.00   3.89  54.35) =   0.725%  kept
          HG2   GLN   30 - HB2   HIS  122  21.13 +/- 5.91   0.835% *  0.0293% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.56 +/- 5.95   0.130% *  0.0151% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  25.35 +/- 3.73   0.054% *  0.0353% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.82, residual support = 71.3:
    * O T HA    HIS  122 - HB3   HIS  122   2.90 +/- 0.25  97.148% * 99.8702% (1.00  10.0 10.00   3.82  71.33) =  99.998%  kept
          HA    VAL   41 - HB3   HIS  122  15.31 +/- 5.54   1.908% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   45 - HB3   HIS  122  17.72 +/- 2.32   0.533% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.03 +/- 2.67   0.411% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 71.3:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.597% * 99.8210% (1.00  10.0 10.00   3.72  71.33) = 100.000%  kept
          HB    THR   46 - HB3   HIS  122  17.14 +/- 3.05   0.213% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HB3   HIS  122  14.45 +/- 1.18   0.190% *  0.0895% (0.90   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 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 201.7:
    * O T HB2   LEU  123 - HA    LEU  123   2.94 +/- 0.19  89.705% * 98.5720% (1.00  10.0 10.00   6.13 201.71) =  99.987%  kept
        T QD    LYS+  99 - HA    LEU  123  16.52 +/- 6.58   1.377% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+ 106 - HA    LEU  123  18.39 +/- 4.16   0.484% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HA    LEU  123   7.84 +/- 0.13   4.819% *  0.0304% (0.31   1.0  1.00   0.02   2.24) =   0.002%
          QD    LYS+  65 - HA    LEU  123  14.88 +/- 2.95   1.243% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  21.30 +/- 3.34   0.421% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.24 +/- 3.60   0.434% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  21.65 +/- 5.73   0.359% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  20.69 +/- 6.55   0.519% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  21.85 +/- 1.57   0.242% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  21.76 +/- 3.54   0.266% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  27.04 +/- 3.15   0.131% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 201.7:
    * O T HB3   LEU  123 - HA    LEU  123   2.57 +/- 0.13  95.221% * 99.6484% (1.00  10.0 10.00   5.51 201.71) =  99.996%  kept
          QB    ALA   57 - HA    LEU  123  13.12 +/- 3.34   2.883% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  33 - HA    LEU  123  22.97 +/- 6.30   1.245% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    LEU  123  22.07 +/- 1.59   0.165% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  21.34 +/- 4.00   0.230% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  20.87 +/- 3.64   0.255% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.37, residual support = 200.3:
    * O T HG    LEU  123 - HA    LEU  123   3.37 +/- 0.69  58.205% * 96.8016% (0.69  10.0 10.00   5.41 201.71) =  99.312%  kept
          HG3   PRO   68 - HA    LEU  123  13.71 +/- 7.69  18.404% *  2.0221% (0.92   1.0  1.00   0.31   0.02) =   0.656%  kept
        T HB    ILE   56 - HA    LEU  123  14.28 +/- 3.37   2.332% *  0.2468% (0.18   1.0 10.00   0.02   0.02) =   0.010%
          QB    LYS+  33 - HA    LEU  123  23.56 +/- 6.62   3.158% *  0.1023% (0.73   1.0  1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HA    LEU  123  11.49 +/- 4.83  10.687% *  0.0217% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - HA    LEU  123  20.75 +/- 5.74   2.270% *  0.0968% (0.69   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    LEU  123  15.34 +/- 5.56   1.198% *  0.1177% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HA    LEU  123  17.29 +/- 3.97   1.394% *  0.0741% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HA    LEU  123  20.12 +/- 3.96   0.676% *  0.1222% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    LEU  123  21.21 +/- 5.71   0.378% *  0.1264% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - HA    LEU  123  20.39 +/- 5.59   0.418% *  0.0579% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  20.44 +/- 5.39   0.595% *  0.0392% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  28.76 +/- 2.91   0.141% *  0.0912% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  27.86 +/- 2.81   0.142% *  0.0798% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 201.2:
    *   T QD1   LEU  123 - HA    LEU  123   2.70 +/- 0.64  80.852% * 98.0802% (1.00 10.00   5.98 201.71) =  99.770%  kept
          QG1   VAL   70 - HA    LEU  123  11.49 +/- 5.10  10.874% *  1.6244% (0.92  1.00   0.36   0.02) =   0.222%  kept
          QD1   LEU   71 - HA    LEU  123  15.57 +/- 6.49   4.022% *  0.0981% (1.00  1.00   0.02   0.02) =   0.005%
          QG1   VAL   18 - HA    LEU  123  15.64 +/- 3.69   1.420% *  0.0819% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    LEU  123  17.06 +/- 6.67   0.900% *  0.0819% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  123  13.09 +/- 3.45   1.932% *  0.0335% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 201.7:
    *   T QD2   LEU  123 - HA    LEU  123   2.72 +/- 0.48  96.165% * 99.9316% (1.00 10.00   4.91 201.71) =  99.998%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.38 +/- 0.22   2.904% *  0.0486% (0.49  1.00   0.02   2.24) =   0.001%
          HB3   LEU  104 - HA    LEU  123  17.06 +/- 6.67   0.932% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 6.13, residual support = 201.7:
    * O T HA    LEU  123 - HB2   LEU  123   2.94 +/- 0.19  93.837% * 98.7431% (1.00  10.0 10.00   6.13 201.71) =  99.992%  kept
        T HA    LYS+  99 - HB2   LEU  123  19.84 +/- 5.71   0.478% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HA    ILE   56 - HB2   LEU  123  14.12 +/- 2.96   1.621% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HB2   LEU  123  13.41 +/- 1.71   1.364% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - HB2   LEU  123  13.64 +/- 1.92   1.385% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HB2   LEU  123  19.27 +/- 5.61   0.573% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  25.70 +/- 6.13   0.247% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  23.60 +/- 5.44   0.319% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  28.28 +/- 5.50   0.177% *  0.0337% (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 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 = 201.6:
    * O T HG    LEU  123 - HB2   LEU  123   2.47 +/- 0.28  87.437% * 97.2632% (0.69  10.0 10.00   5.44 201.71) =  99.938%  kept
          HG3   PRO   68 - HB2   LEU  123  14.50 +/- 7.25   5.910% *  0.7533% (0.92   1.0  1.00   0.12   0.02) =   0.052%
        T QB    LYS+ 106 - HB2   LEU  123  16.35 +/- 3.48   0.542% *  0.7450% (0.53   1.0 10.00   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HB2   LEU  123  14.64 +/- 5.02   0.839% *  0.1183% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HB2   LEU  123  21.00 +/- 4.66   0.242% *  0.3937% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   LEU  123  11.91 +/- 4.47   2.113% *  0.0218% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   LEU  123  24.61 +/- 5.99   0.427% *  0.1028% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HB2   LEU  123  20.99 +/- 4.94   0.324% *  0.1270% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  19.79 +/- 4.88   0.400% *  0.0973% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  20.26 +/- 4.92   0.507% *  0.0582% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  19.49 +/- 3.09   0.221% *  0.1228% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  13.25 +/- 2.83   0.890% *  0.0248% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  27.67 +/- 2.79   0.073% *  0.0916% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  27.65 +/- 2.50   0.076% *  0.0802% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 201.7:
    * O T QD1   LEU  123 - HB2   LEU  123   2.55 +/- 0.31  85.961% * 99.6081% (1.00  10.0 10.00   5.98 201.71) =  99.986%  kept
          QG1   VAL   70 - HB2   LEU  123  12.01 +/- 4.78   9.039% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.010%
          QD1   LEU   71 - HB2   LEU  123  16.32 +/- 6.31   2.175% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   18 - HB2   LEU  123  16.17 +/- 3.57   0.782% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB2   LEU  123  13.16 +/- 3.43   1.495% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  16.98 +/- 5.80   0.548% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.03 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 = 5.0, residual support = 200.9:
    * O T QD2   LEU  123 - HB2   LEU  123   3.00 +/- 0.22  94.389% * 92.5098% (1.00  10.0 10.00   5.02 201.71) =  99.610%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.54 +/- 0.56   4.577% *  7.4719% (0.49   1.0 10.00   0.33   2.24) =   0.390%  kept
          HB3   LEU  104 - HB2   LEU  123  16.98 +/- 5.80   1.035% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.41, residual support = 201.7:
    * O T HA    LEU  123 - HG    LEU  123   3.37 +/- 0.69  85.132% * 99.5102% (0.69  10.0 10.00   5.41 201.71) =  99.989%  kept
          HA    ILE   56 - HG    LEU  123  13.18 +/- 3.52   4.913% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.006%
          HA    PRO   58 - HG    LEU  123  12.73 +/- 2.14   4.116% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU  123  13.12 +/- 2.11   2.702% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU  123  20.20 +/- 5.13   0.783% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU  123  19.31 +/- 5.30   0.997% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU  123  25.70 +/- 5.92   0.428% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  22.90 +/- 5.37   0.571% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  27.38 +/- 5.48   0.358% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.44, residual support = 201.7:
    * O T HB2   LEU  123 - HG    LEU  123   2.47 +/- 0.28  93.427% * 96.6014% (0.69  10.0 10.00   5.44 201.71) =  99.986%  kept
        T HG3   PRO   93 - HG    LEU  123  19.46 +/- 3.78   0.482% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+  65 - HG    LEU  123  14.29 +/- 2.59   0.698% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG    LEU  123  22.29 +/- 4.47   0.239% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 111 - HG    LEU  123  19.57 +/- 1.87   0.235% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LYS+ 121 - HG    LEU  123   7.84 +/- 0.53   3.024% *  0.0298% (0.21   1.0  1.00   0.02   2.24) =   0.001%
          HB3   MET   92 - HG    LEU  123  21.60 +/- 4.01   0.496% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  17.45 +/- 5.17   0.515% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  18.00 +/- 3.05   0.347% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  21.89 +/- 5.41   0.246% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.49 +/- 3.65   0.203% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  26.71 +/- 2.87   0.090% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 201.7:
    * O T HB3   LEU  123 - HG    LEU  123   2.67 +/- 0.15  96.138% * 97.8109% (0.69  10.0 10.00   5.12 201.71) =  99.988%  kept
        T QD    LYS+  33 - HG    LEU  123  23.74 +/- 5.32   0.643% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.007%
        T HD3   LYS+ 111 - HG    LEU  123  19.77 +/- 1.84   0.273% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA   57 - HG    LEU  123  11.96 +/- 2.85   2.285% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   ARG+  54 - HG    LEU  123  19.08 +/- 3.31   0.377% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HG    LEU  123  20.75 +/- 3.78   0.285% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.56, residual support = 201.7:
    * O T QD1   LEU  123 - HG    LEU  123   2.11 +/- 0.02  94.833% * 99.6081% (0.69  10.0 10.00   5.56 201.71) =  99.995%  kept
          QG1   VAL   70 - HG    LEU  123  11.76 +/- 4.39   2.151% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HG    LEU  123  16.18 +/- 6.14   1.505% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU  123  15.55 +/- 3.45   0.402% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  12.44 +/- 3.25   0.850% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  17.67 +/- 5.22   0.261% *  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 = 4.59, residual support = 201.7:
    * O T QD2   LEU  123 - HG    LEU  123   2.11 +/- 0.02  98.714% * 99.9316% (0.69  10.0 10.00   4.59 201.71) =  99.999%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.85 +/- 0.59   1.015% *  0.0486% (0.33   1.0  1.00   0.02   2.24) =   0.001%
          HB3   LEU  104 - HG    LEU  123  17.67 +/- 5.22   0.271% *  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 = 5.98, residual support = 201.7:
    *   T HA    LEU  123 - QD1   LEU  123   2.70 +/- 0.64  86.239% * 99.5102% (1.00 10.00   5.98 201.71) =  99.989%  kept
          HA    ILE   56 - QD1   LEU  123  10.34 +/- 3.19   4.479% *  0.0975% (0.98  1.00   0.02   0.02) =   0.005%
          HA    ASP- 113 - QD1   LEU  123  10.80 +/- 1.37   2.285% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD1   LEU  123   9.81 +/- 2.25   2.876% *  0.0373% (0.38  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD1   LEU  123  16.10 +/- 4.27   0.907% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD1   LEU  123  15.32 +/- 4.02   1.289% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU  123  20.61 +/- 4.47   0.527% *  0.0960% (0.97  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU  123  18.14 +/- 4.11   0.896% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  22.02 +/- 4.15   0.501% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 5.97, residual support = 200.7:
    * O T HB2   LEU  123 - QD1   LEU  123   2.55 +/- 0.31  84.443% * 94.5410% (1.00  10.0 10.00   5.98 201.71) =  99.512%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.89 +/- 0.62   7.991% *  4.8499% (0.31   1.0  1.00   3.32   2.24) =   0.483%  kept
          HG3   PRO   93 - QD1   LEU  123  15.87 +/- 2.78   0.880% *  0.0943% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - QD1   LEU  123  17.52 +/- 3.08   1.094% *  0.0757% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  65 - QD1   LEU  123  11.32 +/- 2.37   1.717% *  0.0322% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU  123  14.49 +/- 2.89   1.037% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD1   LEU  123  13.90 +/- 4.29   1.122% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD1   LEU  123  16.08 +/- 1.53   0.393% *  0.0848% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  18.05 +/- 3.72   0.307% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  17.62 +/- 4.16   0.475% *  0.0535% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  17.09 +/- 2.49   0.361% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  21.56 +/- 2.50   0.180% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 201.7:
    * O T HB3   LEU  123 - QD1   LEU  123   2.99 +/- 0.35  82.998% * 99.6484% (1.00  10.0 10.00   5.66 201.71) =  99.983%  kept
          QB    ALA   57 - QD1   LEU  123   9.35 +/- 2.57  13.944% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.015%
          HD3   LYS+ 111 - QD1   LEU  123  16.27 +/- 1.57   0.692% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - QD1   LEU  123  19.02 +/- 3.98   0.477% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - QD1   LEU  123  16.51 +/- 2.87   0.757% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG3   ARG+  54 - QD1   LEU  123  15.37 +/- 2.96   1.133% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.54, residual support = 200.8:
    * O T HG    LEU  123 - QD1   LEU  123   2.11 +/- 0.02  72.261% * 97.0563% (0.69  10.0 10.00   5.56 201.71) =  99.555%  kept
          HG3   PRO   68 - QD1   LEU  123  11.04 +/- 5.67  15.498% *  1.9871% (0.92   1.0  1.00   0.30   0.02) =   0.437%  kept
          HB3   PRO   52 - QD1   LEU  123  15.21 +/- 4.70   1.332% *  0.0971% (0.69   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QD1   LEU  123   8.65 +/- 3.65   5.473% *  0.0218% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD1   LEU  123  12.01 +/- 3.90   0.679% *  0.1180% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - QD1   LEU  123   9.65 +/- 3.03   2.741% *  0.0247% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD1   LEU  123  14.75 +/- 3.21   0.440% *  0.1226% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   LEU  123  13.46 +/- 2.71   0.451% *  0.0743% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  19.58 +/- 4.21   0.320% *  0.1026% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  17.27 +/- 3.77   0.198% *  0.1267% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  16.51 +/- 3.81   0.264% *  0.0581% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  16.62 +/- 3.27   0.193% *  0.0393% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  22.48 +/- 2.63   0.075% *  0.0914% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  22.13 +/- 2.41   0.075% *  0.0800% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 201.7:
    * O T QD2   LEU  123 - QD1   LEU  123   2.06 +/- 0.06  97.345% * 99.7540% (1.00  10.0 10.00   4.98 201.71) =  99.998%  kept
        T HB3   LEU  104 - QD1   LEU  123  14.09 +/- 4.50   0.567% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD1   LEU  123   7.65 +/- 0.79   2.088% *  0.0486% (0.49   1.0  1.00   0.02   2.24) =   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 = 4.91, residual support = 201.7:
    *   T HA    LEU  123 - QD2   LEU  123   2.72 +/- 0.48  90.339% * 99.5102% (1.00 10.00   4.91 201.71) =  99.993%  kept
          HA    ILE   56 - QD2   LEU  123  11.58 +/- 3.33   2.888% *  0.0975% (0.98  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - QD2   LEU  123  12.01 +/- 1.69   1.824% *  0.0524% (0.53  1.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QD2   LEU  123  11.00 +/- 2.30   2.513% *  0.0373% (0.38  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - QD2   LEU  123  17.35 +/- 4.56   0.582% *  0.0863% (0.87  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - QD2   LEU  123  16.51 +/- 4.59   0.782% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  21.67 +/- 5.26   0.311% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  18.93 +/- 4.71   0.493% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  22.50 +/- 4.98   0.268% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 201.7:
    * O T HB2   LEU  123 - QD2   LEU  123   3.00 +/- 0.22  83.866% * 99.0560% (1.00  10.0 10.00   5.02 201.71) =  99.972%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.87 +/- 0.57   5.411% *  0.3057% (0.31   1.0 10.00   0.02   2.24) =   0.020%
          HB3   MET   92 - QD2   LEU  123  18.88 +/- 3.67   1.903% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   93 - QD2   LEU  123  17.21 +/- 3.36   1.451% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - QD2   LEU  123  12.00 +/- 2.53   2.502% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD2   LEU  123  14.90 +/- 4.71   1.729% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - QD2   LEU  123  18.37 +/- 4.86   0.848% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - QD2   LEU  123  17.44 +/- 1.84   0.514% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD2   LEU  123  19.22 +/- 3.72   0.421% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  18.40 +/- 2.89   0.478% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.96 +/- 2.50   0.654% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.00 +/- 2.53   0.222% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 201.7:
    * O T HB3   LEU  123 - QD2   LEU  123   2.26 +/- 0.31  92.991% * 99.6484% (1.00  10.0 10.00   4.58 201.71) =  99.994%  kept
          QB    ALA   57 - QD2   LEU  123  10.33 +/- 2.84   4.114% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          QD    LYS+  33 - QD2   LEU  123  19.91 +/- 4.67   1.951% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - QD2   LEU  123  17.58 +/- 1.91   0.259% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.70 +/- 3.28   0.325% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  16.21 +/- 3.10   0.359% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.58, residual support = 201.3:
    * O T HG    LEU  123 - QD2   LEU  123   2.11 +/- 0.02  78.612% * 97.7262% (0.69  10.0 10.00   4.59 201.71) =  99.797%  kept
          HG3   PRO   68 - QD2   LEU  123  11.71 +/- 6.02  13.738% *  1.0864% (0.92   1.0  1.00   0.17   0.02) =   0.194%  kept
        T HB    ILE   56 - QD2   LEU  123  11.10 +/- 3.01   1.330% *  0.2492% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QB    LYS+  33 - QD2   LEU  123  20.48 +/- 4.96   0.807% *  0.1033% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU  123   9.36 +/- 3.68   3.115% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - QD2   LEU  123  16.42 +/- 4.86   0.668% *  0.0977% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD2   LEU  123  13.70 +/- 3.61   0.425% *  0.1188% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - QD2   LEU  123  15.62 +/- 3.35   0.335% *  0.1234% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD2   LEU  123  15.00 +/- 2.36   0.298% *  0.0749% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.79 +/- 3.59   0.152% *  0.1276% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  18.05 +/- 3.62   0.187% *  0.0585% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  23.95 +/- 3.05   0.080% *  0.0920% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  18.00 +/- 3.63   0.179% *  0.0396% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  23.40 +/- 2.69   0.075% *  0.0805% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 201.7:
    * O T QD1   LEU  123 - QD2   LEU  123   2.06 +/- 0.06  93.454% * 99.6081% (1.00  10.0 10.00   4.98 201.71) =  99.994%  kept
          QG1   VAL   70 - QD2   LEU  123  10.11 +/- 3.67   2.342% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - QD2   LEU  123  13.59 +/- 5.12   2.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD2   LEU  123  13.28 +/- 2.86   0.645% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU  123  10.91 +/- 2.64   1.200% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  15.53 +/- 4.44   0.356% *  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 = 9.13:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  88.358% * 97.4620% (1.00  10.0 10.00   1.00   9.13) =  99.995%  kept
        T HB2   LEU   31 - HA    ALA   34   7.47 +/- 0.33   2.076% *  0.0730% (0.07   1.0 10.00   0.02   9.71) =   0.002%
        T HB2   LEU   31 - HA    ALA  124  27.58 +/- 6.58   0.103% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA  124 - HA    ALA   34  20.89 +/- 6.85   0.439% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ALA  124  26.02 +/- 2.41   0.053% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    ALA  124  16.53 +/- 2.65   0.234% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  18.21 +/- 2.52   0.171% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  22.06 +/- 5.75   0.126% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  21.44 +/- 3.06   0.104% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  11.27 +/- 2.70   0.860% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  20.26 +/- 8.43   0.291% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.15 +/- 2.69   0.089% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.83 +/- 0.57   2.905% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  21.20 +/- 5.29   0.133% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34  10.84 +/- 2.93   1.199% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.86 +/- 1.89   0.067% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.40 +/- 2.25   0.123% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  29.89 +/- 3.13   0.036% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  24.83 +/- 8.28   0.116% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  15.98 +/- 1.06   0.221% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.60 +/- 2.03   0.232% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  24.53 +/- 7.58   0.111% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  17.64 +/- 3.38   0.212% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.49 +/- 2.42   0.729% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  15.01 +/- 3.78   0.594% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  24.67 +/- 3.75   0.071% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  23.22 +/- 2.00   0.075% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.93 +/- 1.75   0.165% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.42 +/- 3.25   0.044% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  25.31 +/- 3.16   0.065% *  0.0028% (0.03   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 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.13:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  98.396% * 98.8388% (1.00  10.0 10.00   1.00   9.13) =  99.997%  kept
        T HA    ALA   34 - QB    ALA  124  20.89 +/- 6.85   0.489% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HA    ASN   28 - QB    ALA  124  24.63 +/- 5.39   0.189% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HA    ARG+  54 - QB    ALA  124  19.09 +/- 2.82   0.182% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.46 +/- 0.76   0.322% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  24.24 +/- 7.32   0.199% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  27.50 +/- 2.77   0.051% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  21.33 +/- 6.43   0.172% *  0.0196% (0.20   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 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 201.7:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00  99.036% * 97.4949% (1.00  10.0 10.00   5.52 201.71) =  99.997%  kept
        T QD    LYS+  33 - HB2   LEU  123  24.07 +/- 5.65   0.183% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+ 111 - HB2   LEU  123  19.89 +/- 1.80   0.078% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LEU  123  12.73 +/- 2.73   0.551% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  21.59 +/- 3.86   0.070% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  20.21 +/- 2.84   0.082% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.52, residual support = 201.7:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  97.923% * 96.4170% (0.99  10.0 10.00   5.52 201.71) =  99.997%  kept
        T QD    LYS+  65 - HB3   LEU  123  15.66 +/- 2.71   0.188% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LEU  123  22.62 +/- 5.09   0.064% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 111 - HB3   LEU  123  20.87 +/- 1.98   0.067% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB3   LEU  123  22.28 +/- 5.95   0.083% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HB3   LEU  123   8.26 +/- 0.47   0.994% *  0.0365% (0.38   1.0  1.00   0.02   2.24) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  27.98 +/- 2.98   0.027% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  21.09 +/- 3.69   0.128% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.18 +/- 3.92   0.124% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  17.81 +/- 5.88   0.202% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  18.71 +/- 3.78   0.146% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.93 +/- 3.65   0.055% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 201.7:
    * O T QD1   LEU  123 - HB3   LEU  123   2.99 +/- 0.35  90.583% * 99.6081% (1.00  10.0 10.00   5.66 201.71) =  99.991%  kept
          QG1   VAL   70 - HB3   LEU  123  12.66 +/- 4.89   5.368% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - HB3   LEU  123  16.88 +/- 6.33   1.215% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  18.07 +/- 5.89   0.773% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HB3   LEU  123  16.65 +/- 3.87   0.730% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HB3   LEU  123  14.03 +/- 3.44   1.332% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.58, residual support = 201.7:
    * O T QD2   LEU  123 - HB3   LEU  123   2.26 +/- 0.31  97.976% * 99.9316% (1.00  10.0 10.00   4.58 201.71) =  99.999%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.87 +/- 0.52   1.628% *  0.0486% (0.49   1.0  1.00   0.02   2.24) =   0.001%
          HB3   LEU  104 - HB3   LEU  123  18.07 +/- 5.89   0.397% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.688, support = 5.09, residual support = 200.5:
    * O T HG    LEU  123 - HB3   LEU  123   2.67 +/- 0.15  86.305% * 90.2373% (0.69  10.0 10.00   5.12 201.71) =  99.397%  kept
        T HG3   PRO   68 - HB3   LEU  123  15.01 +/- 7.52   6.549% *  6.9892% (0.92   1.0 10.00   0.12   0.02) =   0.584%  kept
        T QB    LYS+  33 - HB3   LEU  123  25.16 +/- 6.24   0.888% *  0.9539% (0.73   1.0 10.00   0.02   0.02) =   0.011%
        T HG2   ARG+  54 - HB3   LEU  123  20.08 +/- 3.43   0.291% *  1.1395% (0.87   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HB3   LEU  123  15.94 +/- 4.91   0.659% *  0.1097% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   52 - HB3   LEU  123  20.57 +/- 5.20   0.631% *  0.0902% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   LEU  123  12.38 +/- 4.63   2.235% *  0.0203% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HB3   LEU  123  17.58 +/- 3.67   0.551% *  0.0691% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  22.15 +/- 5.02   0.251% *  0.1178% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  14.17 +/- 3.03   0.891% *  0.0230% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  21.43 +/- 4.92   0.339% *  0.0540% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  21.94 +/- 4.89   0.237% *  0.0365% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  28.90 +/- 3.22   0.089% *  0.0850% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  28.57 +/- 2.88   0.085% *  0.0744% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 201.7:
    * O T HA    LEU  123 - HB3   LEU  123   2.57 +/- 0.13  96.212% * 99.5102% (1.00  10.0 10.00   5.51 201.71) =  99.997%  kept
          HA    ILE   56 - HB3   LEU  123  14.90 +/- 3.25   0.934% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB3   LEU  123  14.53 +/- 1.74   0.658% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.32 +/- 2.14   0.860% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  20.75 +/- 5.97   0.372% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  20.09 +/- 5.84   0.433% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  26.37 +/- 6.48   0.162% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  23.86 +/- 5.85   0.243% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  28.44 +/- 5.89   0.126% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.977, support = 5.66, residual support = 313.7:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  87.024% * 76.1572% (1.00  10.0   5.61 313.68) =  96.712%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.84 +/- 0.38   9.580% * 23.5057% (0.31  10.0   7.03 313.68) =   3.286%  kept
          QD    LYS+  66 - HD3   LYS+ 121  14.55 +/- 4.41   1.146% *  0.0610% (0.80   1.0   0.02   0.02) =   0.001%
          HG    LEU  104 - HD3   LYS+ 121  13.86 +/- 7.50   0.973% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.23 +/- 3.57   0.168% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  15.34 +/- 5.12   0.672% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.83 +/- 3.81   0.109% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  22.34 +/- 3.18   0.056% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  16.18 +/- 3.31   0.186% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  21.12 +/- 3.85   0.086% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 313.7:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.64 +/- 0.33  91.116% * 99.7211% (1.00  10.0   6.28 313.68) =  99.994%  kept
          QG2   VAL  107 - HD3   LYS+ 121   9.92 +/- 3.81   4.172% *  0.0921% (0.92   1.0   0.02   0.02) =   0.004%
          HG13  ILE  119 - HD3   LYS+ 121   9.12 +/- 0.87   2.852% *  0.0308% (0.31   1.0   0.02   6.98) =   0.001%
          HG13  ILE  103 - HD3   LYS+ 121  15.73 +/- 6.13   1.110% *  0.0485% (0.49   1.0   0.02   0.02) =   0.001%
          QB    ALA   20 - HD3   LYS+ 121  19.93 +/- 3.58   0.412% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.76 +/- 4.68   0.337% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 313.6:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.57 +/- 0.29  95.204% * 98.9917% (1.00  10.0 10.00   5.98 313.68) =  99.988%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.96 +/- 1.73   1.231% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T QD2   LEU   73 - HD3   LYS+ 121  16.42 +/- 3.18   0.790% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD3   LYS+ 121   9.35 +/- 0.67   2.510% *  0.0482% (0.49   1.0  1.00   0.02   2.24) =   0.001%
          HG    LEU   31 - HD3   LYS+ 121  21.96 +/- 4.33   0.265% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.11, residual support = 313.7:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.21 +/- 0.31  86.884% * 99.2313% (1.00  10.0  1.00   7.11 313.68) =  99.991%  kept
        T HD3   LYS+ 111 - HD3   LYS+ 121  18.38 +/- 2.89   0.714% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  65 - HD3   LYS+ 121  16.53 +/- 3.62   1.765% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU  123 - HD3   LYS+ 121   8.61 +/- 0.50   5.123% *  0.0306% (0.31   1.0  1.00   0.02   2.24) =   0.002%
          QB    ALA   57 - HD3   LYS+ 121  13.18 +/- 3.08   2.605% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   LYS+ 121  19.84 +/- 4.76   0.639% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD3   LYS+ 121  17.66 +/- 6.13   1.021% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   83 - HD3   LYS+ 121  23.46 +/- 4.07   0.297% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  20.76 +/- 3.61   0.443% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.60 +/- 2.06   0.508% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.76, residual support = 310.6:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.47 +/- 0.12  93.819% * 83.8595% (1.00  10.0   5.77 313.68) =  98.822%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.03 +/- 1.39   5.848% * 16.0324% (0.84   1.0   4.58  54.35) =   1.178%  kept
          HG2   GLN   30 - HD3   LYS+ 121  24.37 +/- 4.13   0.146% *  0.0576% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  26.52 +/- 4.23   0.093% *  0.0376% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  26.57 +/- 3.62   0.094% *  0.0129% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 6.6, residual support = 306.8:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.22 +/- 0.67  59.477% * 88.0956% (1.00 10.00   6.68 313.68) =  97.779%  kept
          HA    ALA  120 - HD3   LYS+ 121   7.68 +/- 0.61  10.436% * 11.1754% (0.76  1.00   3.32   2.69) =   2.176%  kept
          QB    SER  117 - HD3   LYS+ 121   7.43 +/- 2.31  22.498% *  0.0736% (0.84  1.00   0.02   0.02) =   0.031%
        T HA    LYS+  65 - HD3   LYS+ 121  17.80 +/- 2.94   1.349% *  0.3005% (0.34 10.00   0.02   0.02) =   0.008%
          HB    THR   94 - HD3   LYS+ 121  17.38 +/- 2.90   1.165% *  0.0873% (0.99  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - HD3   LYS+ 121  23.34 +/- 3.58   0.836% *  0.0873% (0.99  1.00   0.02   0.02) =   0.001%
          HA    PHE   60 - HD3   LYS+ 121  13.41 +/- 1.60   2.550% *  0.0245% (0.28  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+ 121  22.22 +/- 2.91   0.674% *  0.0833% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HD3   LYS+ 121  22.64 +/- 3.64   0.557% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  24.21 +/- 3.49   0.457% *  0.0362% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.69, residual support = 313.7:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.72 +/- 0.15  89.089% * 99.7211% (0.84  10.0 10.00   7.69 313.68) =  99.993%  kept
          QG2   VAL  107 - HB3   LYS+ 121   9.66 +/- 3.16   3.895% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB3   LYS+ 121  15.81 +/- 5.91   2.626% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB3   LYS+ 121   8.08 +/- 0.47   3.624% *  0.0308% (0.26   1.0  1.00   0.02   6.98) =   0.001%
          QB    ALA   20 - HB3   LYS+ 121  19.57 +/- 3.81   0.369% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  21.56 +/- 5.14   0.397% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.02, residual support = 313.7:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.39 +/- 0.19  95.455% * 99.5295% (0.84  10.0 10.00   7.02 313.68) =  99.996%  kept
        T QD2   LEU   73 - HB3   LYS+ 121  16.18 +/- 3.45   0.574% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU  123 - HB3   LYS+ 121   8.26 +/- 0.64   2.709% *  0.0484% (0.41   1.0  1.00   0.02   2.24) =   0.001%
          QD1   ILE   56 - HB3   LYS+ 121  11.56 +/- 1.06   0.933% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   LYS+ 121  21.71 +/- 5.08   0.329% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.74, residual support = 313.7:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  97.010% * 97.1314% (0.84  10.0 10.00   8.74 313.68) =  99.994%  kept
        T QD    LYS+  65 - HB3   LYS+ 121  15.94 +/- 2.98   0.294% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  38 - HB3   LYS+ 121  19.76 +/- 5.22   0.142% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB3   LYS+ 121  17.74 +/- 5.78   0.173% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU  123 - HB3   LYS+ 121   7.13 +/- 0.42   1.492% *  0.0300% (0.26   1.0  1.00   0.02   2.24) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  18.00 +/- 1.98   0.103% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  12.82 +/- 2.56   0.530% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  20.34 +/- 3.75   0.099% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.33 +/- 3.87   0.054% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  18.07 +/- 2.02   0.104% *  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 = 0.81, support = 6.72, residual support = 266.6:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.98 +/- 0.37  73.867% * 59.0829% (0.84  1.00   6.97 313.68) =  81.867%  kept
          HB3   HIS  122 - HB3   LYS+ 121   6.13 +/- 0.78  24.349% * 39.6513% (0.70  1.00   5.60  54.35) =  18.110%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  24.00 +/- 5.07   0.998% *  1.1638% (0.57 10.00   0.02   0.02) =   0.022%
          HB3   ASN   28 - HB3   LYS+ 121  26.37 +/- 4.73   0.440% *  0.0760% (0.37  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB3   LYS+ 121  26.29 +/- 3.36   0.347% *  0.0261% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 8.16, residual support = 309.2:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.57 +/- 0.22  84.639% * 84.2255% (0.84  10.0 10.00   8.22 313.68) =  98.546%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.06 +/- 0.29   6.933% * 15.0776% (0.64   1.0  1.00   4.68   2.69) =   1.445%  kept
          QB    SER  117 - HB3   LYS+ 121   6.70 +/- 0.92   5.863% *  0.0704% (0.70   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  65 - HB3   LYS+ 121  17.16 +/- 2.82   0.465% *  0.2873% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB3   LYS+ 121  17.13 +/- 2.38   0.402% *  0.0835% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.68 +/- 1.94   1.034% *  0.0234% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  21.88 +/- 2.56   0.207% *  0.0797% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  22.89 +/- 2.81   0.141% *  0.0835% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  22.10 +/- 4.18   0.191% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  24.19 +/- 2.89   0.125% *  0.0346% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.782, support = 8.61, residual support = 313.6:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  65.278% * 55.3563% (0.84  10.0 10.00   8.74 313.68) =  71.722%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.30 +/- 0.40  33.219% * 42.8727% (0.65  10.0 10.00   8.27 313.68) =  28.267%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  13.14 +/- 4.14   0.639% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.74 +/- 2.92   0.150% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.92 +/- 3.64   0.068% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HB2   LYS+ 121  13.73 +/- 6.73   0.385% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.63 +/- 3.59   0.081% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  15.25 +/- 1.96   0.124% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.48 +/- 3.52   0.055% *  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 = 0.769, support = 8.02, residual support = 308.5:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.57 +/- 0.22  39.859% * 52.0655% (0.84  10.0 10.00   8.22 313.68) =  74.390%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.74 +/- 0.46  15.655% * 40.3240% (0.65   1.0 10.00   7.73 313.68) =  22.628%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.95 +/- 0.70  32.354% *  2.2150% (0.04  10.0 10.00   5.27 157.75) =   2.569%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.33 +/- 0.67   2.766% *  3.7757% (0.06   1.0 10.00   5.66  30.87) =   0.374%  kept
        T QD    LYS+  66 - HA    LYS+ 121  14.05 +/- 4.69   1.356% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.029%
        T HD3   LYS+  74 - HA    LYS+  65   9.28 +/- 3.50   4.208% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.004%
        T HG2   LYS+  65 - HA    LYS+ 121  18.47 +/- 3.07   0.196% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.002%
        T HD3   LYS+  74 - HA    LYS+ 121  22.23 +/- 3.81   0.085% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  15.27 +/- 7.23   0.559% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LYS+ 121 - HA    LYS+  65  17.16 +/- 2.82   0.218% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  16.99 +/- 1.94   0.152% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  17.03 +/- 2.70   0.184% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.26 +/- 3.89   0.108% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.97 +/- 3.61   0.101% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   8.88 +/- 2.60   1.565% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  12.89 +/- 1.83   0.386% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.91 +/- 2.38   0.117% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  19.67 +/- 3.02   0.131% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.977, support = 6.64, residual support = 310.0:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.22 +/- 0.67  22.449% * 97.6597% (1.00   1.0 10.00   6.68 313.68) =  97.688%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.20 +/- 0.54  42.288% *  1.2130% (0.01  10.0 10.00   5.27 157.75) =   2.286%  kept
        T HG3   LYS+  33 - HA    LYS+ 121  25.48 +/- 5.83   0.648% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  65 - HA    LYS+ 121  18.06 +/- 3.28   0.783% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.007%
          QB    LEU   98 - HA    LYS+ 121  15.90 +/- 4.87   0.571% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QB    ALA  110 - HA    LYS+ 121  15.28 +/- 1.95   0.508% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 121 - HA    LYS+  65  17.80 +/- 2.94   0.377% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+ 121  22.01 +/- 3.89   0.220% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+  65   9.13 +/- 2.21   3.403% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 121  14.20 +/- 1.31   0.675% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+  65   6.03 +/- 1.07   9.774% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    LYS+ 121  22.77 +/- 4.15   0.296% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  15.53 +/- 4.47   0.722% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+ 121  16.56 +/- 5.16   0.598% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    LYS+  65   6.17 +/- 0.80   7.769% *  0.0012% (0.01   1.0  1.00   0.02   0.45) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  25.35 +/- 3.02   0.099% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  16.35 +/- 2.40   0.443% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  10.35 +/- 2.44   1.719% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.35 +/- 3.98   0.103% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  25.58 +/- 3.63   0.101% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  16.93 +/- 3.22   0.690% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  15.10 +/- 2.13   0.695% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  21.64 +/- 3.56   0.243% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.67 +/- 3.49   0.887% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  16.33 +/- 2.94   0.592% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.96 +/- 1.58   1.399% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  10.67 +/- 1.90   1.586% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  18.05 +/- 2.80   0.365% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 6.19, residual support = 222.3:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  91.631% * 92.4832% (1.00  10.0 10.00   6.19 222.74) =  99.768%  kept
          QB    GLU- 114 - HB3   LEU  115   5.58 +/- 0.47   3.052% *  6.3062% (0.31   1.0  1.00   4.42  21.68) =   0.227%  kept
        T HB2   LEU   67 - HB3   LEU  115  14.28 +/- 2.66   0.272% *  0.7405% (0.80   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LEU   67 - HB3   LEU   40   8.00 +/- 1.63   1.487% *  0.0869% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          HG3   PRO   58 - HB3   LEU  115  10.67 +/- 1.59   0.532% *  0.0923% (1.00   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HB3   LEU   40  16.40 +/- 2.04   0.136% *  0.1085% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.95 +/- 2.72   0.160% *  0.0487% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  15.33 +/- 2.15   0.168% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.11 +/- 1.94   0.270% *  0.0257% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   9.92 +/- 1.66   0.847% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  11.84 +/- 3.22   0.550% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  19.14 +/- 2.70   0.090% *  0.0347% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.63 +/- 3.14   0.463% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  19.67 +/- 2.94   0.091% *  0.0108% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  17.40 +/- 2.84   0.133% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  22.42 +/- 5.32   0.118% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 7.23, residual support = 237.2:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  93.216% * 98.3538% (1.00  10.0 10.00   7.23 237.18) =  99.993%  kept
        T HB    VAL   42 - HB3   LYS+ 112  16.14 +/- 3.12   0.299% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - HB3   LYS+ 112   7.28 +/- 2.72   4.688% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU   73 - HB3   LYS+ 112  18.23 +/- 5.28   0.375% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  16.03 +/- 3.62   0.309% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  15.60 +/- 1.43   0.151% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  15.71 +/- 2.10   0.153% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  11.79 +/- 1.82   0.422% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  24.89 +/- 2.11   0.036% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  20.42 +/- 2.62   0.085% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  17.65 +/- 1.66   0.104% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  27.10 +/- 3.07   0.031% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  18.38 +/- 1.86   0.097% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  26.68 +/- 4.11   0.035% *  0.0517% (0.53   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 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 = 4.51, residual support = 236.9:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  78.642% * 54.1487% (0.95  10.0   4.31 237.18) =  84.657%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.17 +/- 0.55  18.494% * 41.3820% (0.72  10.0   5.65 237.18) =  15.214%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.05 +/- 1.48   1.477% *  4.3556% (0.36   1.0   4.29  28.63) =   0.128%  kept
          QG2   THR   94 - HD3   LYS+ 112   9.17 +/- 1.58   0.766% *  0.0434% (0.76   1.0   0.02   0.02) =   0.001%
          HB3   LEU   71 - HD3   LYS+ 112  19.43 +/- 5.66   0.424% *  0.0537% (0.94   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  14.35 +/- 2.72   0.198% *  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 = 0.997, support = 6.8, residual support = 312.8:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  78.778% * 96.6770% (1.00  10.0   6.84 315.10) =  99.264%  kept
          QB    GLU- 114 - HB3   LYS+ 111   4.53 +/- 1.48  20.476% *  2.7570% (0.57   1.0   1.01   1.54) =   0.736%  kept
          HB3   PRO   68 - HB3   LYS+ 111  21.70 +/- 3.82   0.162% *  0.0839% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  20.71 +/- 4.10   0.152% *  0.0397% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   LYS+ 111  12.76 +/- 0.96   0.216% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  25.21 +/- 4.03   0.044% *  0.0958% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  26.38 +/- 3.66   0.031% *  0.0958% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.16 +/- 3.64   0.024% *  0.0867% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  24.29 +/- 3.08   0.036% *  0.0471% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.24 +/- 2.66   0.027% *  0.0471% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.85 +/- 2.74   0.025% *  0.0269% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.17 +/- 2.40   0.030% *  0.0215% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 60.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.34 +/- 0.39  95.081% * 99.5482% (1.00  10.0 10.00   4.61  60.22) =  99.997%  kept
          HD3   LYS+ 112 - HA    VAL  107  10.42 +/- 1.35   1.792% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - HA    VAL  107  17.81 +/- 1.89   0.320% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    VAL  107  18.73 +/- 1.93   0.270% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  11.40 +/- 2.17   1.216% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  13.08 +/- 2.67   1.085% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.16 +/- 1.71   0.235% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.70 +/- 0.34  89.804% * 99.7501% (1.00  10.0 10.00   3.63  60.22) =  99.992%  kept
          HG2   LYS+ 121 - HA    VAL  107  12.49 +/- 5.37   5.821% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.006%
          HG13  ILE  103 - HA    VAL  107  10.78 +/- 1.60   1.787% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HA    VAL  107  11.40 +/- 2.17   1.935% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.86 +/- 2.17   0.353% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.16 +/- 1.71   0.299% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.993, support = 3.3, residual support = 41.0:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.94 +/- 0.09  64.900% * 84.0285% (1.00  10.0 10.00   3.25  41.92) =  94.521%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.39 +/- 0.29  20.565% * 15.3362% (0.87   1.0  1.00   4.21  24.63) =   5.466%  kept
          HB    ILE  103 - HA    ASP- 105   6.68 +/- 0.63   6.141% *  0.0833% (0.99   1.0  1.00   0.02   3.20) =   0.009%
          HG12  ILE  103 - HA    ASP- 105   7.10 +/- 0.83   5.218% *  0.0130% (0.15   1.0  1.00   0.02   3.20) =   0.001%
          HG3   PRO   68 - HA    ASP- 105  17.23 +/- 3.35   0.455% *  0.0824% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    ASP- 105  19.39 +/- 2.19   0.308% *  0.0824% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  18.28 +/- 2.15   0.315% *  0.0795% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  20.03 +/- 2.14   0.233% *  0.0754% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  16.98 +/- 2.30   0.437% *  0.0377% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  17.00 +/- 3.96   0.468% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  22.96 +/- 2.46   0.153% *  0.0838% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.89 +/- 1.77   0.320% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  21.52 +/- 2.49   0.205% *  0.0287% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.67 +/- 1.88   0.281% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 41.9:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  97.074% * 99.5527% (0.95  10.0 10.00   3.42  41.92) =  99.999%  kept
          HB2   MET   96 - HB3   ASP- 105   8.02 +/- 0.88   1.192% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HB3   ASP- 105  13.39 +/- 1.24   0.239% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  11.16 +/- 3.58   0.721% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  12.00 +/- 2.76   0.491% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  19.85 +/- 1.89   0.075% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  19.32 +/- 1.29   0.076% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.65 +/- 1.52   0.047% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.96 +/- 2.05   0.085% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 5.03, residual support = 140.8:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  48.088% * 66.9933% (1.00  10.0  1.00   4.93 134.30) =  67.311%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  48.088% * 32.5339% (0.49  10.0  1.00   5.23 154.33) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  14.47 +/- 2.65   0.124% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  10.06 +/- 4.17   2.392% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  17.50 +/- 2.42   0.061% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  10.79 +/- 1.76   0.268% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  16.63 +/- 3.69   0.350% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.27 +/- 3.04   0.108% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  20.13 +/- 3.63   0.046% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.31 +/- 2.06   0.034% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  20.29 +/- 3.64   0.051% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.82 +/- 2.32   0.033% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  20.92 +/- 3.42   0.078% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.73 +/- 2.36   0.033% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.97 +/- 4.19   0.079% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  19.20 +/- 2.26   0.044% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  24.33 +/- 3.17   0.022% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.10 +/- 3.43   0.064% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  28.50 +/- 2.99   0.013% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.79 +/- 2.96   0.024% *  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  94.672% * 81.2382% (0.80  10.0 10.00   4.30 138.77) =  99.227%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.15 +/- 0.89   3.273% * 18.2476% (0.73   1.0  1.00   4.95  23.64) =   0.770%  kept
          HB    VAL   41 - HG13  ILE  103   8.84 +/- 1.79   1.173% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG13  ILE  103  13.80 +/- 2.42   0.281% *  0.0574% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.86 +/- 2.28   0.124% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.90 +/- 1.47   0.113% *  0.0937% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  17.50 +/- 3.02   0.159% *  0.0615% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  20.87 +/- 4.20   0.152% *  0.0534% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  22.91 +/- 3.03   0.054% *  0.0534% (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 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 = 186.7:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  94.852% * 99.4757% (0.80  10.0   5.64 186.67) =  99.997%  kept
          QG2   THR   26 - HB3   LYS+  74   8.61 +/- 2.35   1.121% *  0.0654% (0.53   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HB3   LYS+  74  10.26 +/- 2.99   1.251% *  0.0557% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   LEU   40 - HB3   LYS+  74  14.07 +/- 2.90   0.420% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  10.82 +/- 3.21   1.380% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  15.95 +/- 2.83   0.208% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.61 +/- 2.94   0.101% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  13.56 +/- 2.26   0.314% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  15.48 +/- 3.13   0.242% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.14 +/- 3.70   0.110% *  0.0466% (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 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 = 5.14, residual support = 216.0:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  98.538% * 99.3078% (1.00  10.0 10.00   5.14 215.96) =  99.999%  kept
          HG3   LYS+ 111 - HG13  ILE   89  15.12 +/- 2.71   0.434% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  18.99 +/- 1.58   0.083% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  13.49 +/- 3.19   0.383% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG13  ILE   89  13.80 +/- 2.12   0.234% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  19.23 +/- 3.05   0.113% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  18.43 +/- 2.95   0.136% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  20.47 +/- 3.30   0.080% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.1:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.02  94.772% * 99.6237% (1.00  10.0 10.00   2.81  24.14) =  99.997%  kept
          HA1   GLY   51 - QB    ALA   57   9.64 +/- 1.93   1.766% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER  117 - QB    ALA   57  11.28 +/- 1.73   0.881% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  18.14 +/- 4.45   0.300% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  15.03 +/- 4.07   0.791% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  18.37 +/- 2.96   0.229% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57  11.15 +/- 1.50   0.808% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.78 +/- 2.79   0.244% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  20.60 +/- 2.35   0.122% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  23.67 +/- 3.26   0.087% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  98.812% * 97.5263% (1.00  10.0 10.00   2.81  10.18) =  99.998%  kept
          HA    ALA   57 - HA2   GLY   51  11.00 +/- 0.92   0.435% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  28.11 +/- 4.25   0.034% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  23.35 +/- 2.61   0.049% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.05 +/- 2.96   0.035% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  20.23 +/- 4.44   0.200% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  19.61 +/- 2.19   0.081% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  16.32 +/- 3.24   0.169% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.76 +/- 1.72   0.158% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  31.98 +/- 6.47   0.028% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 62.8:
    * O T QG2   VAL   24 - QG1   VAL   24   2.05 +/- 0.04  97.565% * 99.5951% (1.00  10.0 10.00   2.70  62.83) =  99.997%  kept
          HG    LEU   63 - QG1   VAL   24  16.16 +/- 3.86   1.860% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
        T QG1   VAL  107 - QG1   VAL   24  15.67 +/- 2.21   0.293% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QG1   VAL   24  18.46 +/- 3.78   0.282% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 159.2:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  96.861% * 99.4743% (1.00  10.0 10.00   6.56 159.18) =  99.998%  kept
          HB3   ASN   28 - HG3   GLN   30   8.25 +/- 0.72   1.023% *  0.0918% (0.92   1.0  1.00   0.02  18.90) =   0.001%
          HB3   HIS  122 - HG3   GLN   30  21.08 +/- 6.02   1.263% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.08 +/- 2.69   0.030% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.88 +/- 3.10   0.076% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  21.62 +/- 3.63   0.083% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  15.03 +/- 2.42   0.207% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  15.62 +/- 1.53   0.152% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  18.01 +/- 1.07   0.093% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.42 +/- 2.30   0.025% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.09 +/- 3.06   0.060% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  17.02 +/- 2.13   0.127% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.996, support = 4.66, residual support = 153.5:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.88 +/- 0.46  65.458% * 96.1230% (1.00  10.0   4.68 154.33) =  99.460%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.17 +/- 1.49  11.057% *  3.0150% (0.31   1.0   2.03   0.65) =   0.527%  kept
          HB2   ASN   28 - HG2   LYS+  33   9.61 +/- 0.94   2.287% *  0.0942% (0.98   1.0   0.02   0.02) =   0.003%
          HB2   ASN   35 - HG2   LYS+  33   8.23 +/- 0.73   3.485% *  0.0328% (0.34   1.0   0.02   5.55) =   0.002%
          HB2   ASP-  86 - QG    LYS+  81   9.18 +/- 0.62   2.375% *  0.0316% (0.33   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - HG2   LYS+  33  17.25 +/- 2.76   0.796% *  0.0862% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HG2   LYS+ 106  12.98 +/- 2.95   1.624% *  0.0400% (0.42   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   8.05 +/- 1.15   4.612% *  0.0102% (0.11   1.0   0.02   0.02) =   0.001%
          HB2   ASN   28 - QG    LYS+  81  14.57 +/- 4.52   0.783% *  0.0451% (0.47   1.0   0.02   0.02) =   0.001%
          QE    LYS+  65 - QG    LYS+  81  18.88 +/- 3.77   0.735% *  0.0413% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  15.33 +/- 3.39   2.035% *  0.0148% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  19.27 +/- 4.09   0.320% *  0.0660% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  21.14 +/- 3.70   0.329% *  0.0622% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.94 +/- 3.51   0.401% *  0.0460% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  19.91 +/- 2.49   0.304% *  0.0523% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.09 +/- 2.50   0.258% *  0.0583% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.53 +/- 3.02   0.262% *  0.0571% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  17.04 +/- 3.37   0.621% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.33 +/- 2.42   0.242% *  0.0377% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.16 +/- 4.75   0.530% *  0.0157% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  17.90 +/- 4.52   0.662% *  0.0090% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.65 +/- 2.61   0.273% *  0.0199% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  18.96 +/- 2.33   0.342% *  0.0130% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  23.83 +/- 3.35   0.211% *  0.0071% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 154.3:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.28 +/- 0.10  94.459% * 98.2551% (1.00  10.0 10.00   5.63 154.33) =  99.994%  kept
          HD3   LYS+  74 - QB    LYS+  33  15.86 +/- 3.62   3.975% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QG    LYS+  81 - QB    LYS+  33  18.42 +/- 2.99   0.228% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+ 106 - QB    LYS+  33  19.56 +/- 1.94   0.168% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  33  22.89 +/- 5.38   0.627% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.90 +/- 2.57   0.476% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.75 +/- 2.98   0.067% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.975, support = 4.8, residual support = 214.9:
    *     QE    LYS+  38 - HA    LYS+  38   4.22 +/- 0.80  33.215% * 93.8593% (1.00  1.00   4.84 220.28) =  97.093%  kept
          QE    LYS+  99 - HA    GLU- 100   5.61 +/- 0.96  19.067% *  4.3915% (0.05  1.00   4.18  39.18) =   2.608%  kept
          QE    LYS+  99 - HA    LYS+  38   7.17 +/- 1.97  12.049% *  0.3481% (0.90  1.00   0.02   0.02) =   0.131%  kept
          QE    LYS+ 102 - HA    LYS+  38  12.52 +/- 3.82  11.131% *  0.3583% (0.92  1.00   0.02   0.02) =   0.124%  kept
        T HB3   TRP   27 - HA    LYS+  38  15.20 +/- 1.45   0.992% *  0.8641% (0.22 10.00   0.02   0.02) =   0.027%
          QE    LYS+  38 - HA    GLU- 100   7.44 +/- 2.68  14.899% *  0.0235% (0.06  1.00   0.02   0.02) =   0.011%
          QE    LYS+ 102 - HA    GLU- 100   8.97 +/- 0.94   5.156% *  0.0216% (0.06  1.00   0.02   0.02) =   0.003%
          HB2   PHE   97 - HA    LYS+  38  14.73 +/- 1.42   0.957% *  0.0768% (0.20  1.00   0.02   0.02) =   0.002%
        T HB3   TRP   27 - HA    GLU- 100  16.78 +/- 3.10   0.750% *  0.0522% (0.01 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    GLU- 100  11.62 +/- 0.51   1.784% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.904, support = 4.75, residual support = 156.3:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.43 +/- 0.38  48.453% * 54.8141% (1.00  10.0 10.00   4.34 157.75) =  57.616%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.55 +/- 0.58  46.012% * 42.4513% (0.77  10.0 10.00   5.31 154.33) =  42.373%  kept
        T QE    LYS+  33 - HG3   LYS+ 102  17.29 +/- 4.18   0.237% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HG3   LYS+  65  16.93 +/- 2.56   0.183% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+  65 - HG3   LYS+  33  17.49 +/- 2.52   0.165% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG3   LYS+  33   7.56 +/- 0.37   1.491% *  0.0287% (0.52   1.0  1.00   0.02   5.55) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.61 +/- 1.14   0.778% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 106  19.45 +/- 2.60   0.104% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  65 - HG3   LYS+ 102  23.69 +/- 2.61   0.053% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  33 - HG3   LYS+ 106  19.55 +/- 2.33   0.094% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  13.51 +/- 4.53   0.548% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  15.15 +/- 3.55   0.228% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  12.56 +/- 2.55   0.428% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  20.98 +/- 2.96   0.134% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.90 +/- 5.01   0.140% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  19.23 +/- 3.93   0.111% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  18.38 +/- 4.05   0.161% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  22.61 +/- 3.32   0.065% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  21.19 +/- 4.08   0.134% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  24.99 +/- 4.23   0.139% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.09 +/- 2.65   0.065% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.87 +/- 2.87   0.092% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.12 +/- 2.47   0.105% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  20.86 +/- 2.38   0.080% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 91.9:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.31 +/- 0.08  96.480% * 99.1144% (1.00  10.0 10.00   4.42  91.92) =  99.998%  kept
        T QG    GLN   90 - HG3   GLU-  29  21.58 +/- 3.76   0.156% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - HG3   GLU-  29  14.69 +/- 3.90   0.865% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  14.64 +/- 3.72   1.111% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  16.62 +/- 3.59   0.389% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  15.51 +/- 1.80   0.360% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.88 +/- 3.58   0.091% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  19.97 +/- 3.71   0.192% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  26.49 +/- 2.85   0.071% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  24.45 +/- 1.40   0.085% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  18.67 +/- 1.83   0.199% *  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 = 4.13, residual support = 91.9:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00  99.563% * 99.6674% (1.00  10.0 10.00   4.13  91.92) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  18.07 +/- 5.36   0.143% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  20.53 +/- 2.95   0.074% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  24.26 +/- 2.98   0.059% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  23.97 +/- 3.08   0.047% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  20.01 +/- 3.19   0.080% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  25.33 +/- 1.03   0.034% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 85.3:
    * O T QG    GLN   17 - HB3   GLN   17   2.36 +/- 0.11  97.368% * 98.5118% (0.76  10.0 10.00   4.31  85.28) =  99.983%  kept
        T HB    VAL   70 - HB3   GLN   17  10.91 +/- 2.82   1.395% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.016%
          HB2   GLU-  25 - HB3   GLN   17  18.69 +/- 2.92   0.383% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  19.27 +/- 3.52   0.219% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.32 +/- 4.15   0.331% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  21.29 +/- 3.78   0.175% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  22.01 +/- 1.79   0.128% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 3.99, residual support = 85.1:
    * O T HA    GLN   17 - HB3   GLN   17   2.79 +/- 0.20  68.003% * 98.6729% (1.00  10.0 10.00   4.00  85.28) =  99.801%  kept
          HA    GLU-  15 - HB3   GLN   17   5.36 +/- 0.82  13.208% *  0.9260% (0.57   1.0  1.00   0.33   0.02) =   0.182%  kept
          HA    SER   13 - HB3   GLN   17   8.98 +/- 2.03  14.250% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.012%
          HA    SER   37 - HB3   GLN   17  15.61 +/- 4.40   1.783% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          HA    PRO   58 - HB3   GLN   17  15.50 +/- 3.76   1.515% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB3   GLN   17  15.79 +/- 3.04   0.457% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  19.87 +/- 4.03   0.248% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  15.19 +/- 2.67   0.534% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 85.1:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  94.347% * 89.5699% (1.00  10.0 10.00   4.17  85.28) =  99.762%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.35 +/- 0.59   2.166% *  8.9675% (1.00   1.0 10.00   0.20   0.02) =   0.229%  kept
        T HB3   PRO   68 - HB3   GLN   17  11.51 +/- 3.15   0.693% *  0.7172% (0.80   1.0 10.00   0.02   0.02) =   0.006%
        T HG3   GLN   30 - HB3   GLN   17  11.93 +/- 1.86   0.420% *  0.3682% (0.41   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HB3   GLN   17   7.69 +/- 0.61   1.180% *  0.0507% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HB3   GLN   17  12.30 +/- 2.61   0.433% *  0.0436% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  19.34 +/- 2.92   0.163% *  0.0847% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  12.27 +/- 1.80   0.345% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  26.20 +/- 3.92   0.047% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  22.29 +/- 2.86   0.056% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  20.01 +/- 3.75   0.088% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  22.03 +/- 3.74   0.062% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.852, support = 3.3, residual support = 46.0:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.86 +/- 0.19  48.603% * 72.0932% (1.00  10.0 10.00   3.09  45.49) =  76.310%  kept
      O T HG3   MET   11 - HA    MET   11   3.20 +/- 0.69  40.420% * 26.7625% (0.37  10.0 10.00   4.00  47.75) =  23.558%  kept
        T HG3   MET   11 - HA    GLU-  14   9.65 +/- 2.52   8.064% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.120%  kept
        T HB3   GLU-  14 - HA    MET   11  10.14 +/- 1.93   1.834% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.011%
          HB2   LEU   40 - HA    GLU-  14  17.23 +/- 3.21   0.268% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.74 +/- 3.57   0.102% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.72 +/- 3.69   0.275% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.14 +/- 5.09   0.186% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.97 +/- 5.65   0.060% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  27.50 +/- 4.61   0.094% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  29.59 +/- 3.64   0.051% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  33.95 +/- 6.64   0.042% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 61.2:
    * O T HB2   MET   92 - HA    MET   92   2.89 +/- 0.19  87.661% * 99.5277% (1.00  10.0 10.00   3.87  61.21) =  99.994%  kept
          HB    ILE   56 - HA    MET   92  14.11 +/- 4.35   3.218% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   GLN   90 - HA    MET   92   8.16 +/- 0.54   4.168% *  0.0197% (0.20   1.0  1.00   0.02   0.12) =   0.001%
          QB    LYS+  81 - HA    MET   92  11.36 +/- 2.73   2.645% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - HA    MET   92  18.33 +/- 3.28   0.476% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    MET   92  13.00 +/- 0.89   1.024% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  20.50 +/- 2.51   0.278% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.50 +/- 1.18   0.096% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  32.99 +/- 6.87   0.151% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.58 +/- 1.59   0.174% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.54 +/- 4.17   0.111% *  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 = 0.992, support = 4.25, residual support = 59.3:
    * O T HB3   MET   92 - HA    MET   92   2.83 +/- 0.16  79.272% * 83.8400% (1.00  10.0 10.00   4.23  61.21) =  96.792%  kept
          HG3   PRO   93 - HA    MET   92   5.27 +/- 0.73  14.150% * 15.5419% (0.76   1.0  1.00   4.85   1.93) =   3.203%  kept
          HD2   LYS+ 111 - HA    MET   92  13.42 +/- 4.01   2.337% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   73 - HA    MET   92  15.42 +/- 2.69   0.694% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    MET   92  14.01 +/- 1.44   0.760% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - HA    MET   92  11.96 +/- 3.12   2.030% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  26.33 +/- 1.67   0.105% *  0.1867% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.29 +/- 2.98   0.256% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  21.77 +/- 1.35   0.189% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.42 +/- 1.97   0.208% *  0.0475% (0.57   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 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 61.2:
    * O T HG2   MET   92 - HA    MET   92   2.51 +/- 0.50  91.904% * 99.5593% (1.00  10.0 10.00   2.49  61.21) =  99.993%  kept
          HG2   PRO   52 - HA    MET   92  11.20 +/- 4.33   4.383% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HA    MET   92  12.92 +/- 3.31   1.761% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    MET   92  11.90 +/- 2.09   1.529% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HA    MET   92  23.30 +/- 3.71   0.213% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  30.91 +/- 1.69   0.068% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  28.98 +/- 6.09   0.140% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.2:
    * O T HG3   MET   92 - HA    MET   92   3.07 +/- 0.54  81.477% * 99.3565% (1.00  10.0 10.00   3.97  61.21) =  99.984%  kept
        T HB2   ASP-  44 - HA    MET   92  11.18 +/- 1.39   2.935% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.007%
          HB3   ASP-  76 - HA    MET   92  11.71 +/- 4.62   5.370% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - HA    MET   92   7.67 +/- 0.74   7.243% *  0.0339% (0.34   1.0  1.00   0.02   0.12) =   0.003%
          HG12  ILE  119 - HA    MET   92  16.43 +/- 2.38   0.871% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HA    MET   92  17.24 +/- 1.19   0.549% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    MET   92  24.16 +/- 2.75   0.233% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.41 +/- 1.54   0.688% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  26.66 +/- 1.32   0.157% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  24.95 +/- 4.05   0.269% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  24.47 +/- 2.80   0.209% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.922, support = 1.9, residual support = 5.8:
          HB    VAL  108 - QB    LYS+ 106   4.43 +/- 0.29  73.307% * 80.2683% (0.92  1.00   1.91   5.86) =  99.003%  kept
          HB    ILE  119 - QB    LYS+ 106  13.54 +/- 2.65   5.195% *  6.6875% (1.00  1.00   0.15   0.02) =   0.585%  kept
        T HB2   GLN   30 - QB    LYS+ 106  16.90 +/- 2.03   1.653% *  9.0889% (1.00 10.00   0.02   0.02) =   0.253%  kept
          HB2   PRO   93 - QB    LYS+ 106  11.12 +/- 0.85   5.062% *  0.5146% (0.57  1.00   0.02   0.02) =   0.044%
          HB3   GLU- 100 - QB    LYS+ 106  14.21 +/- 1.45   2.862% *  0.9008% (0.99  1.00   0.02   0.02) =   0.043%
          HB3   PRO   68 - QB    LYS+ 106  17.74 +/- 2.78   2.700% *  0.4424% (0.49  1.00   0.02   0.02) =   0.020%
          HB2   LYS+ 111 - QB    LYS+ 106  12.25 +/- 1.83   5.011% *  0.2024% (0.22  1.00   0.02   0.02) =   0.017%
          HG3   GLN   30 - QB    LYS+ 106  18.32 +/- 1.76   1.209% *  0.7884% (0.87  1.00   0.02   0.02) =   0.016%
          HB2   ARG+  54 - QB    LYS+ 106  18.76 +/- 1.83   1.065% *  0.7884% (0.87  1.00   0.02   0.02) =   0.014%
          QB    GLU-  15 - QB    LYS+ 106  20.68 +/- 2.80   1.044% *  0.1592% (0.18  1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QB    LYS+ 106  21.14 +/- 2.28   0.892% *  0.1592% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 1 structures by 0.98 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   2.22 +/- 0.06  97.416% * 99.8873% (0.76  10.0   4.64  26.37) =  99.998%  kept
          HN    HIS   22 - HA    VAL   75   9.78 +/- 2.92   2.367% *  0.0636% (0.49   1.0   0.02   0.02) =   0.002%
          HN    VAL  108 - HA    VAL   75  17.39 +/- 1.70   0.217% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.21, residual support = 82.6:
      O   HN    VAL   75 - HA    VAL   75   2.91 +/- 0.02  93.724% * 93.3750% (0.90  10.0   5.23  82.98) =  99.527%  kept
          HN    ASP-  78 - HA    VAL   75   7.20 +/- 0.29   6.276% *  6.6250% (0.95   1.0   1.35   0.31) =   0.473%  kept
    Distance limit 3.76 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 = 0.461, support = 0.731, residual support = 17.2:
          HA    PHE   45 - HB    VAL   75   5.02 +/- 2.83  68.752% * 89.9031% (0.45   0.75  17.68) =  97.464%  kept
          HA    VAL   41 - HB    VAL   75   9.10 +/- 1.63  29.269% *  5.1606% (0.97   0.02   0.02) =   2.382%  kept
          HA    HIS  122 - HB    VAL   75  18.34 +/- 2.80   1.979% *  4.9363% (0.92   0.02   0.02) =   0.154%  kept
    Distance limit 3.71 A violated in 5 structures by 0.79 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.866, support = 2.14, residual support = 17.7:
          QD    PHE   45 - HB    VAL   75   5.21 +/- 2.28  83.784% * 98.5855% (0.87   2.14  17.68) =  99.860%  kept
          HD2   HIS  122 - HB    VAL   75  15.40 +/- 2.61  10.521% *  0.7285% (0.69   0.02   0.02) =   0.093%
          HE22  GLN  116 - HB    VAL   75  18.47 +/- 2.41   5.695% *  0.6861% (0.65   0.02   0.02) =   0.047%
    Distance limit 3.79 A violated in 5 structures by 1.45 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.792, support = 0.02, residual support = 1.93:
        T HZ    PHE   72 - HB    VAL   75   6.21 +/- 0.55  61.994% * 97.5882% (0.80 10.00   0.02   1.90) =  98.507%  kept
          HZ2   TRP   27 - HB    VAL   75   8.38 +/- 3.04  38.006% *  2.4118% (0.20  1.00   0.02   3.46) =   1.493%  kept
    Distance limit 4.15 A violated in 10 structures by 1.62 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.44, residual support = 82.9:
      O   HN    VAL   75 - HB    VAL   75   2.46 +/- 0.55  96.060% * 97.4892% (0.99  10.0   4.44  82.98) =  99.894%  kept
          HN    ASP-  78 - HB    VAL   75   8.43 +/- 0.43   3.940% *  2.5108% (0.65   1.0   0.79   0.31) =   0.106%  kept
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.353, support = 2.43, residual support = 17.0:
        T QE    PHE   45 - QG1   VAL   75   3.82 +/- 1.98  67.231% * 85.0601% (0.34 10.00   2.49  17.68) =  95.642%  kept
          QD    PHE   72 - QG1   VAL   75   5.88 +/- 0.71  21.356% *  9.0613% (0.53  1.00   1.38   1.90) =   3.236%  kept
          HZ    PHE   72 - QG1   VAL   75   6.82 +/- 0.30  11.413% *  5.8786% (0.90  1.00   0.53   1.90) =   1.122%  kept
    Distance limit 3.32 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 3.1, residual support = 17.7:
          QD    PHE   45 - QG1   VAL   75   3.29 +/- 2.08  87.494% * 99.5820% (1.00   3.10  17.68) =  99.970%  kept
          HD2   HIS  122 - QG1   VAL   75  13.80 +/- 2.07   8.131% *  0.2195% (0.34   0.02   0.02) =   0.020%
          HE22  GLN  116 - QG1   VAL   75  16.02 +/- 1.99   4.376% *  0.1986% (0.31   0.02   0.02) =   0.010%
    Distance limit 3.40 A violated in 2 structures by 0.58 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.902, support = 4.93, residual support = 74.5:
          HN    VAL   75 - QG1   VAL   75   3.39 +/- 0.29  80.002% * 68.6412% (0.90   5.23  82.98) =  89.751%  kept
          HN    ASP-  78 - QG1   VAL   75   5.52 +/- 0.43  19.998% * 31.3588% (0.95   2.27   0.31) =  10.249%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.4:
          HN    ASP-  76 - QG1   VAL   75   2.97 +/- 0.40  93.809% * 99.1032% (0.41   4.97  26.37) =  99.978%  kept
          HN    VAL  108 - QG1   VAL   75  12.47 +/- 1.56   1.617% *  0.7047% (0.73   0.02   0.02) =   0.012%
          HN    HIS   22 - QG1   VAL   75  10.55 +/- 1.94   4.573% *  0.1921% (0.20   0.02   0.02) =   0.009%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 0.02, residual support = 0.342:
          HB2   CYS   21 - QG2   VAL   75   7.01 +/- 2.83  60.056% * 67.1992% (0.76   0.02   0.39) =  86.385%  kept
          QE    LYS+  81 - QG2   VAL   75   9.95 +/- 1.23  29.465% * 15.3994% (0.18   0.02   0.02) =   9.712%  kept
          QE    LYS+ 111 - QG2   VAL   75  14.78 +/- 2.08  10.478% * 17.4014% (0.20   0.02   0.02) =   3.903%  kept
    Distance limit 3.70 A violated in 15 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.603, support = 0.865, residual support = 10.4:
          HZ3   TRP   27 - QG2   VAL   75   4.50 +/- 3.04  57.788% * 43.2818% (0.45   0.98   3.46) =  51.093%  kept
          HZ    PHE   45 - QG2   VAL   75   5.16 +/- 2.26  42.212% * 56.7182% (0.76   0.75  17.68) =  48.907%  kept
    Distance limit 3.40 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.956, support = 1.79, residual support = 13.0:
          QE    PHE   45 - QG2   VAL   75   4.19 +/- 1.75  45.115% * 64.7036% (0.97   2.18  17.68) =  70.252%  kept
          QD    PHE   72 - QG2   VAL   75   4.24 +/- 1.12  43.282% * 26.0903% (1.00   0.85   1.90) =  27.177%  kept
          HZ    PHE   72 - QG2   VAL   75   6.17 +/- 0.52  11.603% *  9.2061% (0.25   1.20   1.90) =   2.571%  kept
    Distance limit 3.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 1.28, residual support = 3.4:
          HE3   TRP   27 - QG2   VAL   75   4.81 +/- 3.16  49.838% * 89.6573% (0.80   1.30   3.46) =  98.192%  kept
          QE    PHE   95 - QG2   VAL   75   8.11 +/- 1.57  19.741% *  1.6897% (0.98   0.02   0.02) =   0.733%  kept
          HD2   HIS   22 - QG2   VAL   75  10.74 +/- 2.27   4.381% *  3.8467% (0.20   0.23   0.02) =   0.370%  kept
          HN    THR   23 - QG2   VAL   75   8.11 +/- 2.86   9.427% *  1.6637% (0.97   0.02   0.02) =   0.345%  kept
          HN    LEU   67 - QG2   VAL   75   9.93 +/- 1.09   8.509% *  1.1152% (0.65   0.02   0.02) =   0.209%  kept
          QD    PHE   55 - QG2   VAL   75  13.94 +/- 1.50   2.671% *  1.4953% (0.87   0.02   0.02) =   0.088%
          HD1   TRP   49 - QG2   VAL   75  12.38 +/- 2.08   5.432% *  0.5321% (0.31   0.02   0.02) =   0.064%
    Distance limit 3.59 A violated in 5 structures by 0.65 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 4.87, residual support = 80.8:
          HN    VAL   75 - QG2   VAL   75   3.00 +/- 0.53  89.895% * 80.5730% (0.90   4.97  82.98) =  97.361%  kept
          HN    ASP-  78 - QG2   VAL   75   7.32 +/- 0.63  10.105% * 19.4270% (0.95   1.14   0.31) =   2.639%  kept
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.61, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   4.97 +/- 1.31  92.898% * 48.3894% (0.61   0.02   0.02) =  92.461%  kept
          HN    VAL  108 - QG2   VAL   75  12.93 +/- 1.49   7.102% * 51.6106% (0.65   0.02   0.02) =   7.539%  kept
    Distance limit 4.04 A violated in 3 structures by 0.99 A, kept.
    Not enough support, support cutoff is 0.33
    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   3.05 +/- 0.53  99.528% * 99.4520% (0.15  10.0   3.71  35.74) =  99.997%  kept
          HN    VAL  108 - HB3   ASP-  76  19.98 +/- 1.96   0.472% *  0.5480% (0.84   1.0   0.02   0.02) =   0.003%
    Distance limit 3.39 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 = 3.66, residual support = 35.7:
      O   HN    ASP-  76 - HB2   ASP-  76   2.70 +/- 0.43  89.200% * 99.6604% (0.41  10.0   3.66  35.74) =  99.996%  kept
          HN    HIS   22 - HB2   ASP-  76  10.35 +/- 4.36   5.453% *  0.0480% (0.20   1.0   0.02   0.02) =   0.003%
          HN    VAL  108 - HB2   ASP-  76  20.10 +/- 1.81   0.250% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  18.99 +/- 3.93   0.746% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  15.04 +/- 3.10   1.179% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.27 +/- 2.47   1.832% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  16.64 +/- 1.45   0.476% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  17.72 +/- 2.28   0.700% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.96 +/- 1.99   0.163% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.593, residual support = 0.586:
          HN    LEU   80 - HA    THR   77   4.28 +/- 1.68  85.455% * 87.9920% (0.38   0.60   0.59) =  99.139%  kept
          HN    CYS   53 - HA    THR   77  15.42 +/- 3.37   6.935% *  4.7557% (0.61   0.02   0.02) =   0.435%  kept
          HN    THR   26 - HA    THR   77  14.22 +/- 3.89   5.429% *  5.0723% (0.65   0.02   0.02) =   0.363%  kept
          HN    ALA   34 - HA    THR   77  18.37 +/- 4.08   2.181% *  2.1800% (0.28   0.02   0.02) =   0.063%
    Distance limit 3.65 A violated in 6 structures by 0.96 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.65, support = 4.61, residual support = 27.4:
      O   HN    ASP-  78 - HA    THR   77   3.51 +/- 0.09  89.718% * 91.7972% (0.65  10.0   4.65  27.63) =  98.986%  kept
          HN    VAL   75 - HA    THR   77   7.63 +/- 0.83  10.282% *  8.2028% (0.99   1.0   1.17   0.73) =   1.014%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.03, residual support = 37.5:
      O   HN    THR   77 - HA    THR   77   2.80 +/- 0.04 100.000% *100.0000% (0.53  10.0   4.03  37.50) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.15, residual support = 10.4:
        T QD    PHE   45 - QG2   THR   77   3.62 +/- 2.10 100.000% *100.0000% (0.80 10.00   3.15  10.43) = 100.000%  kept
    Distance limit 3.24 A violated in 2 structures by 0.78 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 3.62, residual support = 10.9:
          HN    THR   46 - QG2   THR   77   4.20 +/- 2.39  49.565% * 98.1857% (0.87   3.64  10.98) =  99.509%  kept
          HN    MET   92 - QG2   THR   77   6.63 +/- 3.23  24.167% *  0.4269% (0.69   0.02   0.02) =   0.211%  kept
          HN    LYS+  74 - QG2   THR   77   9.28 +/- 1.17  13.569% *  0.6092% (0.98   0.02   0.02) =   0.169%  kept
          HN    MET   11 - QG2   THR   77  23.22 +/- 6.91  10.473% *  0.4513% (0.73   0.02   0.02) =   0.097%
          HN    LYS+ 112 - QG2   THR   77  12.54 +/- 2.36   2.226% *  0.3270% (0.53   0.02   0.02) =   0.015%
    Distance limit 3.46 A violated in 2 structures by 0.69 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.03, residual support = 37.5:
          HN    THR   77 - QG2   THR   77   2.17 +/- 0.38 100.000% *100.0000% (0.87   4.03  37.50) = 100.000%  kept
    Distance limit 3.14 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 = 0.615, support = 1.32, residual support = 6.01:
          HA    ALA   20 - HB2   LYS+  74   4.75 +/- 3.35  80.290% * 71.8061% (0.61   1.40   6.57) =  91.208%  kept
          HA    LEU   71 - HB2   LYS+  74   9.78 +/- 1.52  19.710% * 28.1939% (0.64   0.52   0.24) =   8.792%  kept
    Distance limit 3.80 A violated in 1 structures by 0.43 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.768, support = 2.3, residual support = 5.91:
          HA    ALA   20 - HB3   LYS+  74   4.46 +/- 3.59  80.366% * 67.8636% (0.76   2.43   6.57) =  89.630%  kept
          HA    LEU   71 - HB3   LYS+  74   9.58 +/- 1.74  19.634% * 32.1364% (0.80   1.10   0.24) =  10.370%  kept
    Distance limit 3.73 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 186.7:
      O   HA    LYS+  74 - HB3   LYS+  74   2.90 +/- 0.18  98.162% * 99.8966% (0.80  10.0   6.20 186.67) =  99.999%  kept
          HA    THR   94 - HB3   LYS+  74  14.58 +/- 1.58   0.915% *  0.0757% (0.61   1.0   0.02   0.02) =   0.001%
          HA    MET   92 - HB3   LYS+  74  14.70 +/- 2.39   0.923% *  0.0278% (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 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   2.56 +/- 0.21  99.767% * 99.9221% (0.49  10.0 10.00   5.98 132.41) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.84 +/- 2.20   0.233% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.418, support = 1.68, residual support = 1.78:
          HB3   MET   92 - HB3   PRO   93   4.69 +/- 0.58  42.417% * 75.0616% (0.41  1.00   1.81   1.93) =  92.365%  kept
        T HB2   LEU   73 - HB3   PRO   93  14.23 +/- 3.74   9.570% * 11.3993% (0.57 10.00   0.02   0.02) =   3.165%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.36 +/- 3.57  16.433% *  6.2145% (0.31 10.00   0.02   0.02) =   2.963%  kept
          QG1   ILE   56 - HB3   PRO   93   7.94 +/- 3.03  24.432% *  1.8057% (0.90  1.00   0.02   0.02) =   1.280%  kept
          HB    ILE   89 - HB3   PRO   93  10.60 +/- 1.14   4.115% *  0.7557% (0.38  1.00   0.02   0.02) =   0.090%
          QD    LYS+ 106 - HB3   PRO   93  12.70 +/- 1.19   2.005% *  1.5387% (0.76  1.00   0.02   0.02) =   0.090%
          QD    LYS+  99 - HB3   PRO   93  19.51 +/- 1.21   0.535% *  1.6122% (0.80  1.00   0.02   0.02) =   0.025%
          HB3   LYS+  99 - HB3   PRO   93  20.17 +/- 1.41   0.493% *  1.6122% (0.80  1.00   0.02   0.02) =   0.023%
    Distance limit 3.45 A violated in 0 structures by 0.69 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.02, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  95.400% * 99.4465% (0.80  10.0   6.02 132.41) =  99.997%  kept
          HG3   PRO   52 - HB3   PRO   93  10.71 +/- 3.74   2.596% *  0.0853% (0.69   1.0   0.02   0.02) =   0.002%
          HG2   PRO   58 - HB3   PRO   93  13.22 +/- 2.96   0.366% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  11.39 +/- 1.69   0.415% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93  11.39 +/- 1.55   0.452% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.45 +/- 2.49   0.585% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  30.90 +/- 6.05   0.036% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  26.38 +/- 4.20   0.038% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  20.08 +/- 2.64   0.077% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.89 +/- 1.76   0.035% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.13, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.47 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.13 132.41) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   6.70 +/- 0.78 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.14 A violated in 17 structures by 2.56 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.941, support = 1.44, residual support = 5.32:
          QD1   ILE   19 - HG2   GLN   30   5.28 +/- 1.51  46.349% * 84.1106% (0.95   1.50   5.59) =  95.163%  kept
          QG2   VAL   18 - HG2   GLN   30   9.23 +/- 1.60  13.601% * 12.3636% (0.90   0.23   0.02) =   4.105%  kept
          QG1   VAL   41 - HG2   GLN   30   8.18 +/- 2.25  19.378% *  0.5771% (0.49   0.02   0.02) =   0.273%  kept
          QG1   VAL   43 - HG2   GLN   30  10.35 +/- 3.42  12.469% *  0.8144% (0.69   0.02   0.02) =   0.248%  kept
          QD2   LEU  104 - HG2   GLN   30  15.10 +/- 2.80   4.722% *  0.9902% (0.84   0.02   0.02) =   0.114%  kept
          QG2   THR   46 - HG2   GLN   30  13.96 +/- 1.79   3.481% *  1.1441% (0.97   0.02   0.02) =   0.097%
    Distance limit 3.85 A violated in 5 structures by 1.08 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 0.747, residual support = 4.86:
        T QG2   THR   26 - HG2   GLN   30   3.02 +/- 0.62  79.968% * 87.3618% (0.61 10.00   0.75   4.88) =  99.629%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.50 +/- 3.08   7.741% *  2.1746% (0.57 10.00   0.02   0.02) =   0.240%  kept
        T QD    LYS+  66 - HG2   GLN   30  16.84 +/- 2.10   0.888% *  3.8324% (1.00 10.00   0.02   0.02) =   0.049%
        T HB3   LYS+ 121 - HG2   GLN   30  24.00 +/- 5.07   0.944% *  2.7891% (0.73 10.00   0.02   0.02) =   0.038%
        T HD2   LYS+ 121 - HG2   GLN   30  23.85 +/- 4.06   0.541% *  2.9354% (0.76 10.00   0.02   0.02) =   0.023%
          HB2   LYS+  74 - HG2   GLN   30  10.12 +/- 2.42   7.857% *  0.1310% (0.34  1.00   0.02   0.02) =   0.015%
          HG2   LYS+  65 - HG2   GLN   30  15.70 +/- 2.86   1.119% *  0.2638% (0.69  1.00   0.02   0.02) =   0.004%
          HG    LEU  104 - HG2   GLN   30  18.25 +/- 2.75   0.756% *  0.2789% (0.73  1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HG2   GLN   30  26.17 +/- 2.79   0.187% *  0.2330% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 7.03, residual support = 237.2:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.56 +/- 0.24  90.740% * 99.8036% (0.95  10.0 10.00   7.03 237.18) =  99.990%  kept
          QB    ALA   47 - HB3   LYS+ 112   8.77 +/- 2.47   6.724% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.007%
          QG1   VAL   42 - HB3   LYS+ 112  11.95 +/- 2.34   2.536% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.54, residual support = 237.2:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.85 +/- 0.20  93.091% * 99.8561% (0.73  10.0 10.00   6.54 237.18) =  99.997%  kept
          HB    THR   46 - HB3   LYS+ 112  10.04 +/- 3.02   5.940% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HB2   HIS  122 - HB3   LYS+ 112  16.82 +/- 1.85   0.556% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  23.56 +/- 5.19   0.413% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.99, residual support = 237.2:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.38 +/- 0.50  97.252% * 99.7523% (0.97  10.0   5.99 237.18) =  99.999%  kept
          HN    LYS+  74 - HB3   LYS+ 112  17.88 +/- 3.77   0.623% *  0.0828% (0.80   1.0   0.02   0.02) =   0.001%
          HN    THR   46 - HB3   LYS+ 112  11.68 +/- 2.07   1.191% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  12.28 +/- 2.29   0.872% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  33.55 +/- 6.00   0.062% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.73, residual support = 237.2:
      O   HN    LYS+ 112 - HB2   LYS+ 112   3.11 +/- 0.48  84.138% * 99.6310% (0.84  10.0   5.73 237.18) =  99.993%  kept
          HN    LYS+  74 - HB    VAL   42   9.11 +/- 1.88  11.825% *  0.0310% (0.26   1.0   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HB    VAL   42  16.66 +/- 2.94   1.029% *  0.0840% (0.70   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HB2   LYS+ 112  17.50 +/- 3.79   1.206% *  0.0368% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ASP-  78 - HB    VAL   42  15.95 +/- 1.40   0.748% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  18.19 +/- 2.47   0.586% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.98 +/- 4.62   0.339% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  33.15 +/- 5.81   0.129% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.827, support = 2.15, residual support = 4.16:
          HA    PHE   72 - HB    VAL   42   5.57 +/- 1.57  56.701% * 92.9698% (0.85   2.20   4.31) =  96.507%  kept
          HA    MET   96 - HB    VAL   42   7.70 +/- 1.26  29.471% *  6.2987% (0.19   0.66   0.02) =   3.398%  kept
          HA    PHE   72 - HB2   LYS+ 112  17.33 +/- 5.26   7.125% *  0.5961% (0.60   0.02   0.02) =   0.078%
          HA    MET   96 - HB2   LYS+ 112  13.37 +/- 1.51   6.703% *  0.1354% (0.14   0.02   0.02) =   0.017%
    Distance limit 3.82 A violated in 10 structures by 1.41 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.14, residual support = 88.1:
      O   HN    VAL   42 - HB    VAL   42   2.69 +/- 0.36  82.741% * 85.7456% (0.80  10.0   6.19  89.71) =  98.151%  kept
          HN    LEU   73 - HB    VAL   42   6.46 +/- 1.48   9.527% * 13.9868% (0.80   1.0   3.26   0.45) =   1.843%  kept
          HN    LYS+ 106 - HB    VAL   42  10.85 +/- 1.68   2.502% *  0.0601% (0.56   1.0   0.02   0.02) =   0.002%
          HN    LEU   73 - HB2   LYS+ 112  16.76 +/- 4.88   1.421% *  0.0605% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE   19 - HB    VAL   42  10.22 +/- 3.02   2.166% *  0.0258% (0.24   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LYS+ 112  13.93 +/- 1.39   0.810% *  0.0424% (0.40   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  17.24 +/- 2.99   0.527% *  0.0605% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  20.00 +/- 3.72   0.305% *  0.0182% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.56, support = 1.71, residual support = 2.72:
          QD    PHE   60 - HB    VAL   42   8.80 +/- 1.80  16.819% * 72.1452% (0.66   2.10   3.66) =  72.848%  kept
          QD    PHE   60 - HB2   LYS+ 112   9.05 +/- 2.67  14.510% * 11.6936% (0.47   0.48   0.32) =  10.187%  kept
          HE3   TRP   27 - HB    VAL   42   8.62 +/- 1.80  15.887% * 10.1745% (0.22   0.91   0.15) =   9.705%  kept
          QD    PHE   55 - HB2   LYS+ 112   6.96 +/- 3.51  31.062% *  3.7052% (0.12   0.59   0.12) =   6.910%  kept
          HN    LYS+  66 - HB    VAL   42  10.35 +/- 1.55   8.440% *  0.2499% (0.24   0.02   0.02) =   0.127%  kept
          HN    LYS+  66 - HB2   LYS+ 112  14.78 +/- 3.11   8.111% *  0.1763% (0.17   0.02   0.02) =   0.086%
          HN    LYS+  81 - HB    VAL   42  17.12 +/- 2.39   1.473% *  0.8907% (0.86   0.02   0.02) =   0.079%
          HN    LYS+  81 - HB2   LYS+ 112  21.76 +/- 2.41   0.803% *  0.6286% (0.61   0.02   0.02) =   0.030%
          QD    PHE   55 - HB    VAL   42  16.63 +/- 1.27   1.707% *  0.1778% (0.17   0.02   0.02) =   0.018%
          HE3   TRP   27 - HB2   LYS+ 112  19.78 +/- 3.16   1.187% *  0.1581% (0.15   0.02   0.02) =   0.011%
    Distance limit 4.02 A violated in 7 structures by 1.17 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 0.839, residual support = 4.3:
        T QD    PHE   72 - HB    VAL   42   4.18 +/- 1.43  50.907% * 80.3590% (0.46 10.00   0.82   4.31) =  90.073%  kept
          HZ    PHE   72 - HB    VAL   42   6.19 +/- 2.04  24.954% * 17.7967% (0.78  1.00   1.06   4.31) =   9.778%  kept
        T QD    PHE   72 - HB2   LYS+ 112  13.91 +/- 2.88   2.899% *  1.3897% (0.32 10.00   0.02   0.02) =   0.089%
          QE    PHE   45 - HB    VAL   42   8.27 +/- 0.87  15.487% *  0.1277% (0.30  1.00   0.02   0.02) =   0.044%
          HZ    PHE   72 - HB2   LYS+ 112  14.41 +/- 2.77   1.787% *  0.2369% (0.55  1.00   0.02   0.02) =   0.009%
          QE    PHE   45 - HB2   LYS+ 112  13.11 +/- 1.83   3.967% *  0.0901% (0.21  1.00   0.02   0.02) =   0.008%
    Distance limit 3.94 A violated in 3 structures by 0.55 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   2.78 +/- 0.14  97.918% * 99.2681% (0.14  10.0   2.86  15.43) =  99.984%  kept
          HN    LEU   40 - HA1   GLY  101  11.01 +/- 1.82   2.082% *  0.7319% (1.00   1.0   0.02   0.02) =   0.016%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.72 +/- 0.22  98.115% * 99.7871% (0.38  10.0   2.86  15.43) =  99.996%  kept
          HN    LEU   40 - HA2   GLY  101  11.24 +/- 1.70   1.885% *  0.2129% (0.80   1.0   0.02   0.02) =   0.004%
    Distance limit 3.26 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   2.61 +/- 0.38  97.920% * 99.9814% (0.84  10.0   1.72   5.16) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  13.79 +/- 2.60   2.080% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.83 +/- 0.16  98.620% * 99.8617% (0.85  10.0   2.38  12.42) =  99.999%  kept
          HN    ASN   35 - HA    ALA   12  19.33 +/- 5.43   1.171% *  0.0618% (0.53   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    ALA   12  28.17 +/- 3.72   0.126% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  31.63 +/- 3.57   0.083% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.48 +/- 0.32  98.710% * 99.7294% (0.46  10.0   2.29  12.42) =  99.998%  kept
          HN    ASN   35 - QB    ALA   12  16.19 +/- 4.34   0.890% *  0.1891% (0.87   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - QB    ALA   12  22.54 +/- 3.95   0.195% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  22.16 +/- 3.40   0.205% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.5, residual support = 12.0:
      O   HN    ALA   12 - HA    MET   11   2.55 +/- 0.28  91.507% * 99.5700% (0.65  10.0   3.50  11.97) =  99.997%  kept
          HN    ALA   12 - HA    GLU-  14   7.90 +/- 1.12   5.790% *  0.0391% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    GLU-  14  16.10 +/- 4.55   1.772% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.35 +/- 4.84   0.122% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  20.39 +/- 5.49   0.417% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  32.96 +/- 4.54   0.102% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.78 +/- 2.75   0.149% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.32 +/- 3.20   0.140% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.58, residual support = 12.0:
          HN    ALA   12 - HG3   MET   11   3.92 +/- 0.59  77.363% * 98.7294% (0.97   3.58  11.97) =  99.944%  kept
          HN    ALA   12 - HB3   GLU-  14   8.24 +/- 1.61  17.401% *  0.1958% (0.34   0.02   0.02) =   0.045%
          HN    ASN   35 - HG3   MET   11  20.52 +/- 5.54   1.119% *  0.3235% (0.57   0.02   0.02) =   0.005%
          HN    ASN   35 - HB3   GLU-  14  15.88 +/- 4.67   2.966% *  0.1148% (0.20   0.02   0.02) =   0.004%
          HN    PHE   97 - HG3   MET   11  29.65 +/- 4.96   0.233% *  0.2349% (0.41   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   GLU-  14  23.87 +/- 3.22   0.493% *  0.0834% (0.15   0.02   0.02) =   0.001%
          HN    LEU  115 - HG3   MET   11  33.27 +/- 4.38   0.143% *  0.2349% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  27.68 +/- 3.56   0.282% *  0.0834% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.62:
      O   HN    GLU-  14 - HA    SER   13   2.51 +/- 0.32  90.010% * 99.1146% (0.92  10.0   2.10   6.62) =  99.995%  kept
          HN    GLU-  14 - HA    SER   37  14.20 +/- 5.00   1.780% *  0.0530% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   13  16.20 +/- 4.28   0.976% *  0.0860% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    SER   13  17.76 +/- 5.02   2.530% *  0.0331% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    SER   37  12.91 +/- 0.99   0.790% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.41 +/- 1.62   0.650% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  16.97 +/- 2.77   0.516% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  14.38 +/- 1.67   0.589% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  20.37 +/- 5.65   0.342% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  19.21 +/- 2.25   0.276% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  24.47 +/- 3.62   0.144% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.60 +/- 1.03   0.209% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  24.90 +/- 3.76   0.119% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.84 +/- 0.99   0.515% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  25.07 +/- 2.80   0.117% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.30 +/- 4.64   0.068% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  20.15 +/- 2.66   0.259% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.18 +/- 2.57   0.109% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.635, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.03 +/- 2.11  17.738% * 21.8157% (0.99   0.02   0.02) =  33.610%  kept
          HN    ILE   19 - HA    SER   37  14.41 +/- 3.75  13.638% * 11.6574% (0.53   0.02   0.02) =  13.808%  kept
          HN    LEU   73 - HA    THR   46  12.54 +/- 2.01  16.931% *  7.5418% (0.34   0.02   0.02) =  11.091%  kept
          HN    ILE   19 - HA    THR   46  16.30 +/- 3.08   8.083% * 13.2032% (0.60   0.02   0.02) =   9.269%  kept
          HN    LEU   73 - HA    SER   13  16.48 +/- 2.85   7.516% * 12.4613% (0.57   0.02   0.02) =   8.135%  kept
          HN    VAL   42 - HA    SER   37  13.30 +/- 0.68  11.850% *  6.6588% (0.30   0.02   0.02) =   6.854%  kept
          HN    VAL   42 - HA    THR   46  13.96 +/- 0.82  10.089% *  7.5418% (0.34   0.02   0.02) =   6.609%  kept
          HN    LEU   73 - HA    SER   37  14.96 +/- 2.51   9.316% *  6.6588% (0.30   0.02   0.02) =   5.388%  kept
          HN    VAL   42 - HA    SER   13  18.85 +/- 3.28   4.839% * 12.4613% (0.57   0.02   0.02) =   5.238%  kept
    Distance limit 3.42 A violated in 19 structures by 5.50 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 = 29.8:
      O   HN    SER   37 - HB3   SER   37   2.89 +/- 0.51  94.379% * 99.5355% (0.83  10.0   3.80  29.80) =  99.997%  kept
          HN    SER   37 - QB    SER   13  14.45 +/- 4.40   1.570% *  0.0762% (0.63   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    SER   13  13.23 +/- 3.38   2.306% *  0.0288% (0.24   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB3   SER   37  15.20 +/- 2.87   0.863% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  23.95 +/- 4.03   0.293% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  24.12 +/- 3.12   0.276% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  24.78 +/- 2.29   0.171% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  27.44 +/- 4.00   0.143% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.635, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  21.28 +/- 3.09  25.380% * 22.8936% (0.69   0.02   0.02) =  39.272%  kept
          HA    TRP   87 - HB3   GLU-  14  29.27 +/- 4.57  11.796% * 33.2545% (1.00   0.02   0.02) =  26.514%  kept
          HA    LEU  104 - HB3   GLU-  14  25.68 +/- 2.77  15.659% * 12.5086% (0.38   0.02   0.02) =  13.238%  kept
          HA    PHE   59 - HG3   MET   11  26.99 +/- 3.91  13.857% *  8.1279% (0.24   0.02   0.02) =   7.612%  kept
          HA    TRP   87 - HG3   MET   11  34.14 +/- 6.76   8.111% * 11.8063% (0.35   0.02   0.02) =   6.472%  kept
          HA    ASP- 113 - HB3   GLU-  14  29.19 +/- 4.08   9.881% *  5.1424% (0.15   0.02   0.02) =   3.434%  kept
          HA    LEU  104 - HG3   MET   11  31.52 +/- 4.22   8.864% *  4.4409% (0.13   0.02   0.02) =   2.660%  kept
          HA    ASP- 113 - HG3   MET   11  34.54 +/- 4.65   6.453% *  1.8257% (0.05   0.02   0.02) =   0.796%  kept
    Distance limit 3.62 A violated in 20 structures by 14.43 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.88, residual support = 45.5:
      O   HN    GLU-  14 - HB3   GLU-  14   3.40 +/- 0.26  81.033% * 99.5831% (0.92  10.0   3.88  45.49) =  99.992%  kept
          HN    GLU-  14 - HG3   MET   11   8.54 +/- 1.88  12.580% *  0.0354% (0.33   1.0   0.02   0.02) =   0.006%
          HN    GLN   30 - HB3   GLU-  14  14.69 +/- 3.69   2.650% *  0.0368% (0.34   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  14  22.45 +/- 3.78   0.467% *  0.1069% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  14  22.72 +/- 3.97   0.379% *  0.1079% (1.00   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HG3   MET   11  18.53 +/- 5.64   2.168% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  28.48 +/- 4.49   0.234% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.46 +/- 5.52   0.190% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  28.41 +/- 4.77   0.165% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  32.76 +/- 7.32   0.133% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.88, residual support = 45.5:
      O   HN    GLU-  14 - HB2   GLU-  14   3.38 +/- 0.56  80.054% * 99.3938% (0.49  10.0   3.88  45.49) =  99.989%  kept
          HN    GLU-  14 - HG2   MET   11   8.23 +/- 1.86  13.896% *  0.0372% (0.18   1.0   0.02   0.02) =   0.006%
          HN    ASN   35 - HB2   GLU-  14  16.14 +/- 4.51   1.372% *  0.0839% (0.41   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLU-  14  22.62 +/- 3.78   0.412% *  0.1321% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  14  23.00 +/- 3.92   0.361% *  0.1483% (0.73   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ARG+  54  18.62 +/- 4.45   1.871% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  20.35 +/- 5.84   0.841% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.16 +/- 5.78   0.229% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.98 +/- 4.61   0.232% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  25.79 +/- 4.12   0.295% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  26.43 +/- 4.61   0.261% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  28.94 +/- 3.81   0.176% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.05, residual support = 5.39:
      O   HN    GLY   16 - HA    GLU-  15   2.57 +/- 0.28  93.978% * 99.5949% (0.97  10.0   2.05   5.39) =  99.997%  kept
          HN    GLY   16 - HA    LEU   40  12.70 +/- 4.07   2.638% *  0.0805% (0.78   1.0   0.02   0.10) =   0.002%
          HN    GLY   16 - HA    ASN   35  14.31 +/- 3.93   1.654% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  20.10 +/- 3.23   0.477% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.62 +/- 2.71   0.296% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  25.02 +/- 4.45   0.167% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  25.32 +/- 3.22   0.137% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  21.85 +/- 4.55   0.540% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.44 +/- 2.85   0.113% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.67, residual support = 94.5:
      O   HN    ASN   28 - HA    ASN   28   2.74 +/- 0.05  99.237% * 99.8927% (0.84  10.0   5.67  94.53) =  99.999%  kept
          HN    ASN   69 - HA    ASN   28  17.84 +/- 3.13   0.763% *  0.1073% (0.90   1.0   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 2.55, residual support = 19.1:
        T HB2   LEU   31 - HA    ASN   28   3.62 +/- 0.43  68.890% * 92.7333% (0.38 10.00   2.56  19.20) =  99.763%  kept
        T QB    ALA   84 - HA    ASN   28  12.49 +/- 3.68   2.616% *  2.4654% (1.00 10.00   0.02   0.02) =   0.101%  kept
          HB3   LEU   73 - HA    ASN   28   9.62 +/- 2.79   5.458% *  0.9591% (0.38  1.00   0.21   1.06) =   0.082%
          HG    LEU   98 - HA    ASN   28  12.57 +/- 3.44   3.176% *  0.2385% (0.97  1.00   0.02   0.02) =   0.012%
        T QB    ALA  124 - HA    ASN   28  24.63 +/- 5.39   0.291% *  2.2159% (0.90 10.00   0.02   0.02) =   0.010%
          HB3   LEU   80 - HA    ASN   28  10.95 +/- 4.76   4.680% *  0.1300% (0.53  1.00   0.02   1.70) =   0.010%
          HG3   LYS+  33 - HA    ASN   28   8.59 +/- 1.03   6.141% *  0.0616% (0.25  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HA    ASN   28  14.16 +/- 2.43   1.714% *  0.1888% (0.76  1.00   0.02   0.02) =   0.005%
          HB    VAL   42 - HA    ASN   28  12.42 +/- 1.96   2.358% *  0.0763% (0.31  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HA    ASN   28  16.35 +/- 4.85   1.523% *  0.1016% (0.41  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HA    ASN   28  20.08 +/- 2.83   0.530% *  0.2471% (1.00  1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HA    ASN   28  17.12 +/- 2.81   0.840% *  0.1499% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    ASN   28  17.75 +/- 2.95   0.677% *  0.1598% (0.65  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    ASN   28  19.33 +/- 2.75   0.535% *  0.0763% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HA    ASN   28  24.01 +/- 3.15   0.324% *  0.1203% (0.49  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HA    ASN   28  26.44 +/- 3.04   0.247% *  0.0763% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.609, support = 3.79, residual support = 18.9:
          HG    LEU   31 - HA    ASN   28   3.13 +/- 1.11  81.623% * 91.0402% (0.61   3.85  19.20) =  98.403%  kept
          QD2   LEU   73 - HA    ASN   28   7.47 +/- 2.49  15.964% *  7.4906% (0.76   0.25   1.06) =   1.584%  kept
          QD1   ILE   56 - HA    ASN   28  18.42 +/- 1.83   0.824% *  0.7528% (0.97   0.02   0.02) =   0.008%
          HG3   LYS+ 121 - HA    ASN   28  24.30 +/- 4.45   0.368% *  0.5961% (0.76   0.02   0.02) =   0.003%
          QD2   LEU  123 - HA    ASN   28  22.60 +/- 4.53   1.222% *  0.1204% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.7, residual support = 5.41:
      O   HN    GLY   16 - HA2   GLY   16   2.87 +/- 0.13  99.645% * 99.8461% (0.97  10.0   2.70   5.41) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  23.89 +/- 3.27   0.210% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  26.85 +/- 4.61   0.144% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 17.7:
      O   HN    GLN   17 - HA2   GLY   16   3.43 +/- 0.05  86.536% * 99.5709% (0.65  10.0   3.26  17.66) =  99.989%  kept
          HD21  ASN   69 - HA2   GLY   16  11.10 +/- 4.24   9.853% *  0.0690% (0.45   1.0   0.02   0.02) =   0.008%
          HN    ALA   61 - HA2   GLY   16  15.91 +/- 3.43   2.272% *  0.0749% (0.49   1.0   0.02   0.02) =   0.002%
          HE3   TRP   87 - HA2   GLY   16  25.64 +/- 4.29   0.251% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  17.61 +/- 1.89   0.741% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  27.29 +/- 3.88   0.193% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  29.17 +/- 3.48   0.154% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 17.7:
      O   HN    GLN   17 - HA1   GLY   16   3.27 +/- 0.06  79.330% * 99.5709% (0.65  10.0   3.26  17.66) =  99.982%  kept
          HD21  ASN   69 - HA1   GLY   16  10.19 +/- 4.42  16.252% *  0.0690% (0.45   1.0   0.02   0.02) =   0.014%
          HN    ALA   61 - HA1   GLY   16  15.21 +/- 3.59   3.207% *  0.0749% (0.49   1.0   0.02   0.02) =   0.003%
          HE3   TRP   87 - HA1   GLY   16  24.31 +/- 4.68   0.244% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  16.88 +/- 1.74   0.648% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  26.08 +/- 4.26   0.182% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  28.13 +/- 3.69   0.138% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.7, residual support = 5.41:
      O   HN    GLY   16 - HA1   GLY   16   2.32 +/- 0.14  99.533% * 99.6694% (0.57  10.0   2.70   5.41) = 100.000%  kept
          HN    SER   82 - HA1   GLY   16  25.92 +/- 4.92   0.084% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  22.97 +/- 3.37   0.134% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.50 +/- 4.54   0.182% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  27.64 +/- 4.05   0.066% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.582, support = 4.32, residual support = 85.0:
      O T HB3   GLN   17 - QG    GLN   17   2.36 +/- 0.11  67.118% * 91.8055% (0.58  10.0 10.00   4.31  85.28) =  99.567%  kept
          HB2   LEU   71 - HB    VAL   70   6.47 +/- 0.30   3.378% *  7.0511% (0.15   1.0  1.00   5.85  34.42) =   0.385%  kept
          QB    LYS+  65 - QG    GLN   17   7.39 +/- 3.18  13.580% *  0.1159% (0.74   1.0  1.00   0.02   0.02) =   0.025%
          HB2   LEU   71 - QG    GLN   17  10.09 +/- 3.64   2.093% *  0.4462% (0.75   1.0  1.00   0.08   0.02) =   0.015%
        T HB3   GLN   17 - HB    VAL   70  10.91 +/- 2.82   0.976% *  0.1880% (0.12   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - QG    GLN   17   8.79 +/- 2.68   2.323% *  0.0494% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB    VAL   70   8.21 +/- 0.73   1.696% *  0.0237% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB    VAL   70   6.74 +/- 0.89   3.857% *  0.0101% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG    GLN   17  19.43 +/- 2.84   0.154% *  0.1077% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  14.18 +/- 3.28   0.486% *  0.0300% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.93 +/- 1.72   2.075% *  0.0061% (0.04   1.0  1.00   0.02   2.63) =   0.000%
          HG2   PRO   93 - QG    GLN   17  20.76 +/- 3.89   0.128% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  14.69 +/- 2.22   0.457% *  0.0221% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  17.80 +/- 2.13   0.193% *  0.0169% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  18.38 +/- 2.27   0.163% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.20 +/- 2.95   0.150% *  0.0185% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  12.03 +/- 1.79   0.643% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.08 +/- 2.12   0.530% *  0.0038% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.48, support = 5.55, residual support = 83.2:
          HN    GLN   17 - QG    GLN   17   3.31 +/- 0.73  57.916% * 87.2156% (0.49   5.61  85.28) =  96.510%  kept
          HD21  ASN   69 - HB    VAL   70   5.78 +/- 1.03  18.176% *  9.2286% (0.07   4.18  27.05) =   3.205%  kept
          HN    ALA   61 - QG    GLN   17  11.86 +/- 3.22   5.907% *  2.1547% (0.37   0.18   0.02) =   0.243%  kept
          HD21  ASN   69 - QG    GLN   17  11.30 +/- 2.94   6.162% *  0.2156% (0.34   0.02   0.02) =   0.025%
          HN    GLN   17 - HB    VAL   70  10.01 +/- 3.11   4.422% *  0.0637% (0.10   0.02   0.02) =   0.005%
          HN    ALA   61 - HB    VAL   70  10.19 +/- 1.51   3.212% *  0.0480% (0.08   0.02   0.02) =   0.003%
          HE3   TRP   87 - QG    GLN   17  21.75 +/- 3.48   0.357% *  0.3851% (0.61   0.02   0.02) =   0.003%
          HN    TRP   27 - QG    GLN   17  13.75 +/- 1.55   1.197% *  0.0742% (0.12   0.02   0.02) =   0.002%
          HN    TRP   87 - QG    GLN   17  22.66 +/- 3.55   0.289% *  0.2341% (0.37   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB    VAL   70  16.79 +/- 2.16   0.658% *  0.0789% (0.13   0.02   0.02) =   0.001%
          HN    ALA   91 - QG    GLN   17  23.70 +/- 3.47   0.236% *  0.1977% (0.31   0.02   0.02) =   0.001%
          HN    TRP   87 - HB    VAL   70  18.99 +/- 1.25   0.408% *  0.0480% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  20.62 +/- 1.12   0.306% *  0.0405% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  15.35 +/- 1.47   0.755% *  0.0152% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 5.81, residual support = 50.2:
          HN    VAL   18 - QG    GLN   17   2.92 +/- 0.57  86.968% * 99.7449% (0.76   5.81  50.22) =  99.990%  kept
          HN    SER   13 - QG    GLN   17   9.00 +/- 1.51   4.662% *  0.0767% (0.17   0.02   0.02) =   0.004%
          HN    VAL   18 - HB    VAL   70   8.89 +/- 3.32   5.067% *  0.0704% (0.16   0.02   0.02) =   0.004%
          HN    GLU-  29 - QG    GLN   17  15.36 +/- 2.28   2.055% *  0.0767% (0.17   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB    VAL   70  16.78 +/- 1.56   0.666% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  17.85 +/- 2.84   0.582% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.27, residual support = 85.3:
      O   HN    GLN   17 - HB3   GLN   17   3.08 +/- 0.45  92.755% * 99.5709% (0.65  10.0   5.27  85.28) =  99.995%  kept
          HD21  ASN   69 - HB3   GLN   17  13.01 +/- 2.95   3.015% *  0.0690% (0.45   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB3   GLN   17  13.58 +/- 3.22   2.353% *  0.0749% (0.49   1.0   0.02   0.02) =   0.002%
          HE3   TRP   87 - HB3   GLN   17  24.28 +/- 4.03   0.283% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  14.94 +/- 1.89   1.149% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  25.26 +/- 3.94   0.243% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  26.60 +/- 3.64   0.203% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.2:
          HN    VAL   18 - HB3   GLN   17   3.24 +/- 0.69  90.808% * 99.8370% (1.00   5.47  50.22) =  99.992%  kept
          HN    SER   13 - HB3   GLN   17   9.55 +/- 1.89   5.668% *  0.0815% (0.22   0.02   0.02) =   0.005%
          HN    GLU-  29 - HB3   GLN   17  16.68 +/- 2.84   3.524% *  0.0815% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.765, support = 3.99, residual support = 85.0:
      O T HB3   GLN   17 - HA    GLN   17   2.79 +/- 0.20  73.182% * 98.1741% (0.76  10.0 10.00   4.00  85.28) =  99.683%  kept
          QB    LYS+  65 - HA    GLN   17   7.93 +/- 3.71  15.897% *  1.3721% (0.97   1.0  1.00   0.22   0.02) =   0.303%  kept
          HB2   LEU   71 - HA    GLN   17   9.71 +/- 4.51   5.969% *  0.1259% (0.98   1.0  1.00   0.02   0.02) =   0.010%
          QB    LYS+  66 - HA    GLN   17   9.16 +/- 2.88   3.158% *  0.0528% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HA    GLN   17  20.50 +/- 3.59   0.263% *  0.1152% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  14.60 +/- 3.91   0.802% *  0.0320% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  22.45 +/- 4.40   0.200% *  0.0882% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.97 +/- 2.84   0.285% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.15 +/- 3.55   0.244% *  0.0198% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.17, residual support = 85.2:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  82.379% * 94.0226% (0.18  10.0 10.00   4.17  85.28) =  99.931%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.35 +/- 0.59   1.891% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.026%
        T HB3   GLN   17 - HB3   PRO   68  11.51 +/- 3.15   0.606% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.018%
          QB    LYS+  66 - HB3   PRO   68   5.94 +/- 1.61   4.555% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LEU   71 - QB    GLU-  15   9.66 +/- 4.79   2.921% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  65 - HB3   PRO   68   8.88 +/- 1.09   0.926% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.004%
          QB    LYS+  65 - HB2   GLN   17   8.65 +/- 3.43   2.308% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - HB3   PRO   68  11.28 +/- 1.26   0.357% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB2   GLN   17  10.96 +/- 3.88   0.695% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QB    GLU-  15  12.02 +/- 3.04   0.580% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB2   GLN   17  10.37 +/- 2.21   0.519% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  14.41 +/- 4.01   0.674% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  19.19 +/- 2.56   0.079% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.67 +/- 2.67   0.255% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  12.83 +/- 1.79   0.252% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  19.08 +/- 4.55   0.104% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  21.66 +/- 2.42   0.050% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  16.35 +/- 2.75   0.160% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.80 +/- 3.24   0.054% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  15.81 +/- 3.33   0.158% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  18.66 +/- 2.72   0.085% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  23.38 +/- 3.83   0.045% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  24.97 +/- 3.03   0.033% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  18.10 +/- 3.68   0.117% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  20.03 +/- 3.97   0.089% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.69 +/- 2.48   0.057% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.59 +/- 2.84   0.050% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.2:
      O   HA    PRO   68 - HB3   PRO   68   2.35 +/- 0.13  95.372% * 99.9155% (0.19  10.0   2.96  36.22) =  99.998%  kept
          HA    PRO   68 - HB2   GLN   17  10.06 +/- 3.69   3.388% *  0.0398% (0.07   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - QB    GLU-  15  11.30 +/- 2.71   1.240% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.46, residual support = 50.1:
          HN    VAL   18 - HB2   GLN   17   3.13 +/- 0.70  63.906% * 97.9581% (0.24   5.47  50.22) =  99.832%  kept
          HN    VAL   18 - HB3   PRO   68  10.59 +/- 3.81   7.042% *  0.8991% (0.61   0.02   0.02) =   0.101%  kept
          HN    VAL   18 - QB    GLU-  15   8.14 +/- 0.52   4.643% *  0.4022% (0.27   0.02   0.02) =   0.030%
          HN    SER   13 - QB    GLU-  15   6.70 +/- 1.38   9.656% *  0.0897% (0.06   0.02   0.02) =   0.014%
          HN    SER   13 - HB2   GLN   17   9.87 +/- 2.35  10.666% *  0.0800% (0.05   0.02   0.02) =   0.014%
          HN    GLU-  29 - HB3   PRO   68  21.16 +/- 4.82   1.270% *  0.2006% (0.14   0.02   0.02) =   0.004%
          HN    SER   13 - HB3   PRO   68  17.63 +/- 3.19   0.839% *  0.2006% (0.14   0.02   0.02) =   0.003%
          HN    GLU-  29 - QB    GLU-  15  14.86 +/- 3.13   1.076% *  0.0897% (0.06   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB2   GLN   17  16.91 +/- 3.03   0.902% *  0.0800% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.2:
      O   HN    VAL   18 - HA    GLN   17   2.59 +/- 0.08  99.258% * 99.9233% (0.84  10.0   5.47  50.22) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  17.02 +/- 2.47   0.618% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  25.32 +/- 4.14   0.123% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 0.02, residual support = 0.8:
        T QB    ALA   64 - HA    GLN   17   6.65 +/- 3.21  68.761% * 38.1619% (0.69 10.00   0.02   1.03) =  76.989%  kept
        T QG1   VAL   42 - HA    GLN   17  10.72 +/- 3.29  21.919% * 27.0421% (0.49 10.00   0.02   0.02) =  17.391%  kept
        T QB    ALA   47 - HA    GLN   17  18.01 +/- 4.05   5.562% * 33.6965% (0.61 10.00   0.02   0.02) =   5.499%  kept
          HG2   LYS+ 112 - HA    GLN   17  20.51 +/- 4.63   3.757% *  1.0994% (0.20  1.00   0.02   0.02) =   0.121%  kept
    Distance limit 3.12 A violated in 16 structures by 3.36 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   2.61 +/- 0.39  98.895% * 99.9233% (0.84  10.0   4.98  76.44) =  99.999%  kept
          HN    GLU-  29 - HB    VAL   18  15.01 +/- 2.03   0.833% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  21.81 +/- 4.79   0.272% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.629, support = 0.508, residual support = 3.07:
        T HB2   PHE   72 - HA    VAL   18   6.33 +/- 3.13  41.207% * 71.9629% (0.49 10.00   0.41   0.56) =  70.373%  kept
          HA    ALA   64 - HA    VAL   18   6.19 +/- 3.28  46.479% * 26.4359% (0.98  1.00   0.75   9.19) =  29.159%  kept
        T HB3   ASN   35 - HA    VAL   18  16.27 +/- 2.10  12.314% *  1.6012% (0.22 10.00   0.02   0.02) =   0.468%  kept
    Distance limit 3.82 A violated in 5 structures by 1.40 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.727, support = 4.57, residual support = 21.1:
      O   HN    ILE   19 - HA    VAL   18   2.21 +/- 0.04  90.549% * 96.8220% (0.73  10.0   4.58  21.16) =  99.745%  kept
          HN    LEU   73 - HA    VAL   18   6.64 +/- 3.76   7.335% *  3.0252% (0.92   1.0   0.49   0.81) =   0.252%  kept
          HN    VAL   42 - HA    VAL   18   9.46 +/- 3.83   1.971% *  0.1231% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HA    VAL   18  19.50 +/- 2.04   0.146% *  0.0297% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.687, support = 0.845, residual support = 0.612:
          HG    LEU   73 - QG1   VAL   18   6.67 +/- 3.22  17.254% * 62.5042% (0.61   1.06   0.81) =  74.143%  kept
          HG    LEU   67 - QG1   VAL   18   7.36 +/- 3.53  12.600% * 24.7120% (1.00   0.26   0.02) =  21.407%  kept
          QG    LYS+  66 - QG1   VAL   18   8.19 +/- 2.37   5.416% *  3.2198% (0.41   0.08   0.02) =   1.199%  kept
          QB    ALA  120 - QG1   VAL   18  14.11 +/- 2.53   7.714% *  1.3314% (0.69   0.02   0.02) =   0.706%  kept
          HB3   LEU   67 - QG1   VAL   18   6.79 +/- 4.02  19.761% *  0.4833% (0.25   0.02   0.02) =   0.657%  kept
          HG    LEU   40 - QG1   VAL   18   9.96 +/- 1.97   4.143% *  1.9211% (0.99   0.02   0.02) =   0.547%  kept
          QB    ALA   61 - QG1   VAL   18   6.21 +/- 2.68  23.158% *  0.2991% (0.15   0.02   1.97) =   0.476%  kept
          HB3   LEU  115 - QG1   VAL   18  13.01 +/- 2.46   2.194% *  1.9211% (0.99   0.02   0.02) =   0.290%  kept
          HB3   LEU   40 - QG1   VAL   18  10.22 +/- 2.31   4.376% *  0.8690% (0.45   0.02   0.02) =   0.261%  kept
          HG    LEU  115 - QG1   VAL   18  13.36 +/- 2.36   2.726% *  1.3314% (0.69   0.02   0.02) =   0.250%  kept
          HG2   LYS+ 102 - QG1   VAL   18  18.23 +/- 2.92   0.658% *  1.4075% (0.73   0.02   0.02) =   0.064%
    Distance limit 2.95 A violated in 4 structures by 1.21 A, kept.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.486, support = 3.09, residual support = 8.35:
        T QB    ALA   34 - QG1   VAL   41   2.73 +/- 1.41  52.114% * 97.8928% (0.49 10.00   3.10   8.36) =  99.845%  kept
        T QB    ALA   34 - QG2   VAL   18   9.64 +/- 1.40   6.631% *  0.7481% (0.37 10.00   0.02   0.02) =   0.097%
          QG2   THR   23 - QG2   VAL   18  10.32 +/- 1.46   9.237% *  0.1284% (0.64  1.00   0.02   0.02) =   0.023%
          QG2   THR   77 - QG1   VAL   41  11.60 +/- 1.92   4.620% *  0.1220% (0.61  1.00   0.02   0.02) =   0.011%
        T QG2   ILE   56 - QG1   VAL   41  14.93 +/- 1.14   0.569% *  0.6207% (0.31 10.00   0.02   0.02) =   0.007%
          HG3   LYS+  38 - QG2   VAL   18  15.86 +/- 3.22   7.154% *  0.0269% (0.13  1.00   0.02   0.02) =   0.004%
          QG2   THR   77 - QG2   VAL   18  11.05 +/- 2.95   1.654% *  0.0932% (0.46  1.00   0.02   0.02) =   0.003%
          QG2   THR   23 - QG1   VAL   41  12.05 +/- 1.72   0.770% *  0.1680% (0.84  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  38 - QG1   VAL   41   8.21 +/- 0.97   3.656% *  0.0352% (0.18  1.00   0.02   0.02) =   0.003%
          QG2   ILE   56 - QG2   VAL   18  10.71 +/- 2.04   2.372% *  0.0474% (0.24  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QG1   VAL   41  13.21 +/- 1.22   1.490% *  0.0501% (0.25  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - QD2   LEU  104   8.32 +/- 1.85   4.845% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  17.15 +/- 3.05   0.350% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  13.75 +/- 2.33   0.898% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  17.19 +/- 2.35   0.429% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.87 +/- 1.52   1.674% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  12.84 +/- 1.80   1.004% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.81 +/- 2.52   0.535% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 2 structures by 0.46 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.825, support = 4.21, residual support = 73.9:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  41.567% * 85.9159% (0.84  10.0 10.00   4.27  75.49) =  97.500%  kept
          QB    LYS+  65 - QG2   VAL   18   5.03 +/- 2.71  17.243% *  3.0508% (0.55   1.0  1.00   1.07   0.02) =   1.436%  kept
          HB3   GLN   17 - QG2   VAL   18   4.69 +/- 1.01   6.032% *  3.2166% (0.15   1.0  1.00   4.14  50.22) =   0.530%  kept
          HB2   LEU   71 - QG1   VAL   41   6.08 +/- 1.46   3.359% *  2.9197% (0.69   1.0  1.00   0.83   3.11) =   0.268%  kept
          HG12  ILE  103 - QD2   LEU  104   5.12 +/- 1.22   4.631% *  1.0510% (0.04   1.0  1.00   5.54  38.14) =   0.133%  kept
          QB    LYS+  66 - QG2   VAL   18   7.10 +/- 2.12   1.551% *  2.2627% (0.74   1.0  1.00   0.60   0.02) =   0.096%
        T HB    VAL   41 - QD2   LEU  104   7.62 +/- 2.42  10.419% *  0.0461% (0.04   1.0 10.00   0.02   0.02) =   0.013%
        T HB    VAL   41 - QG2   VAL   18  11.36 +/- 2.86   0.551% *  0.6566% (0.64   1.0 10.00   0.02   0.02) =   0.010%
          QB    LYS+ 102 - QG1   VAL   41   7.79 +/- 2.45   2.705% *  0.0859% (0.84   1.0  1.00   0.02   0.02) =   0.006%
          HG12  ILE  103 - QG1   VAL   41   7.43 +/- 1.51   1.311% *  0.0707% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - QG2   VAL   18   8.71 +/- 2.34   1.001% *  0.0540% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   4.69 +/- 1.12   6.491% *  0.0046% (0.04   1.0  1.00   0.02   0.29) =   0.001%
          QB    LYS+  66 - QG1   VAL   41  11.88 +/- 1.58   0.281% *  0.0993% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - QG1   VAL   41  12.21 +/- 1.44   0.242% *  0.0747% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  15.49 +/- 3.41   0.172% *  0.0771% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.43 +/- 1.48   0.082% *  0.1008% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.59 +/- 2.61   0.142% *  0.0540% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.72 +/- 2.48   0.113% *  0.0657% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  15.10 +/- 3.19   0.220% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.89 +/- 2.89   0.265% *  0.0204% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  15.98 +/- 2.82   0.149% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  18.06 +/- 3.85   0.102% *  0.0423% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.43 +/- 2.00   0.585% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.74 +/- 2.04   0.051% *  0.0423% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  13.43 +/- 1.95   0.189% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.67 +/- 2.27   0.175% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.26 +/- 1.75   0.087% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  16.17 +/- 4.55   0.143% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.10 +/- 2.79   0.057% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.77 +/- 2.45   0.084% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.538, support = 2.65, residual support = 13.7:
          HB3   LEU   40 - QG1   VAL   41   5.30 +/- 0.37  10.417% * 73.2957% (0.46   3.77  20.19) =  67.513%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.72 +/- 3.63  26.480% * 10.0417% (0.76   0.31   0.02) =  23.513%  kept
          QD    LYS+  66 - QG2   VAL   18   7.73 +/- 2.26   9.887% *  6.1036% (0.31   0.47   0.02) =   5.336%  kept
          HB2   LYS+  74 - QG2   VAL   18   5.59 +/- 3.73  23.576% *  0.8307% (0.99   0.02   1.38) =   1.732%  kept
          QG2   THR   26 - QG1   VAL   41   9.16 +/- 1.98   2.411% *  4.4359% (0.64   0.17   0.02) =   0.946%  kept
          QG2   THR   26 - QG2   VAL   18   8.33 +/- 1.61   8.540% *  0.7000% (0.84   0.02   0.02) =   0.529%  kept
          HB3   LEU   40 - QG2   VAL   18  10.60 +/- 2.31   3.129% *  0.5083% (0.61   0.02   0.02) =   0.141%  kept
          HB2   LYS+  74 - QG1   VAL   41  11.02 +/- 1.96   1.556% *  0.6348% (0.76   0.02   0.02) =   0.087%
          HB3   LEU   40 - QD2   LEU  104   7.60 +/- 1.68   4.419% *  0.0781% (0.09   0.02   0.02) =   0.031%
          HD2   LYS+ 121 - QG2   VAL   18  15.54 +/- 2.38   0.474% *  0.5757% (0.69   0.02   0.02) =   0.024%
          HG    LEU  115 - QG2   VAL   18  13.57 +/- 1.85   0.822% *  0.3145% (0.38   0.02   0.02) =   0.023%
          HG2   LYS+  65 - QG1   VAL   41  14.12 +/- 1.77   0.523% *  0.4895% (0.58   0.02   0.02) =   0.023%
          HD2   LYS+ 121 - QG1   VAL   41  15.32 +/- 3.58   0.546% *  0.4400% (0.52   0.02   0.02) =   0.021%
          QB    ALA  120 - QG2   VAL   18  13.91 +/- 2.36   0.601% *  0.3145% (0.38   0.02   0.02) =   0.017%
          HD2   LYS+ 121 - QD2   LEU  104  12.25 +/- 5.63   1.604% *  0.0885% (0.11   0.02   0.02) =   0.013%
          QD    LYS+  66 - QG1   VAL   41  13.22 +/- 1.45   0.697% *  0.1977% (0.24   0.02   0.02) =   0.012%
          QB    ALA  120 - QG1   VAL   41  15.37 +/- 2.69   0.453% *  0.2404% (0.29   0.02   0.02) =   0.010%
          HG    LEU  115 - QG1   VAL   41  15.58 +/- 1.73   0.404% *  0.2404% (0.29   0.02   0.02) =   0.009%
          QG2   THR   26 - QD2   LEU  104  14.87 +/- 2.09   0.577% *  0.1076% (0.13   0.02   0.02) =   0.005%
          HB2   LYS+  74 - QD2   LEU  104  15.95 +/- 2.44   0.476% *  0.1276% (0.15   0.02   0.02) =   0.005%
          QB    ALA  120 - QD2   LEU  104  12.85 +/- 3.40   0.895% *  0.0483% (0.06   0.02   0.02) =   0.004%
          HG2   LYS+  65 - QD2   LEU  104  17.23 +/- 2.60   0.381% *  0.0984% (0.12   0.02   0.02) =   0.003%
          HG    LEU  115 - QD2   LEU  104  14.32 +/- 2.05   0.620% *  0.0483% (0.06   0.02   0.02) =   0.003%
          QD    LYS+  66 - QD2   LEU  104  14.73 +/- 2.01   0.511% *  0.0397% (0.05   0.02   0.02) =   0.002%
    Distance limit 2.92 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.865, support = 0.922, residual support = 1.95:
        T HA    ALA   61 - QG2   VAL   18   5.71 +/- 2.91  36.198% * 93.3836% (0.87 10.00   0.93   1.97) =  99.054%  kept
        T HA    ALA   61 - QG1   VAL   41  12.28 +/- 2.09   4.250% *  5.8463% (0.66 10.00   0.08   0.02) =   0.728%  kept
          HD2   PRO   68 - QG2   VAL   18   8.39 +/- 3.04  18.945% *  0.2270% (0.98  1.00   0.02   0.02) =   0.126%  kept
          HD2   PRO   68 - QG1   VAL   41  10.83 +/- 1.86   8.397% *  0.1734% (0.75  1.00   0.02   0.02) =   0.043%
          HA    VAL   24 - QG2   VAL   18  11.66 +/- 1.39   5.879% *  0.1127% (0.49  1.00   0.02   0.02) =   0.019%
          HA    VAL   24 - QG1   VAL   41  10.86 +/- 1.51   5.002% *  0.0861% (0.37  1.00   0.02   0.02) =   0.013%
          HA    ALA   61 - QD2   LEU  104  14.75 +/- 4.06   6.928% *  0.0309% (0.13  1.00   0.02   0.02) =   0.006%
          HD3   PRO   58 - QG2   VAL   18  12.05 +/- 2.04   3.302% *  0.0458% (0.20  1.00   0.02   0.02) =   0.004%
          HD2   PRO   68 - QD2   LEU  104  12.74 +/- 1.88   3.237% *  0.0349% (0.15  1.00   0.02   0.02) =   0.003%
          HD3   PRO   58 - QG1   VAL   41  17.63 +/- 1.78   1.312% *  0.0350% (0.15  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QD2   LEU  104  17.61 +/- 4.40   4.659% *  0.0070% (0.03  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD2   LEU  104  16.39 +/- 2.48   1.892% *  0.0173% (0.07  1.00   0.02   0.02) =   0.001%
    Distance limit 2.93 A violated in 11 structures by 2.07 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.646, support = 4.24, residual support = 75.4:
      O T HA    VAL   41 - QG1   VAL   41   2.64 +/- 0.38  77.443% * 98.8372% (0.65  10.0 10.00   4.24  75.49) =  99.935%  kept
        T HA    VAL   41 - QG2   VAL   18   9.79 +/- 2.74   5.352% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.053%
        T HA    VAL   41 - QD2   LEU  104   8.18 +/- 1.96   9.228% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.006%
          HA    PHE   45 - QG2   VAL   18  11.22 +/- 3.65   2.043% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HA    PHE   45 - QG1   VAL   41  12.10 +/- 0.85   1.004% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS  122 - QG1   VAL   41  14.89 +/- 5.01   1.177% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - QG2   VAL   18  14.62 +/- 2.54   0.649% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  14.16 +/- 2.39   0.819% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  12.56 +/- 6.65   2.284% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 0.02, residual support = 0.252:
          QD    PHE   60 - QG1   VAL   18   6.93 +/- 3.21  40.999% * 36.4324% (1.00   0.02   0.45) =  54.273%  kept
          HN    LYS+  66 - QG1   VAL   18   6.90 +/- 2.59  39.945% * 25.0257% (0.69   0.02   0.02) =  36.323%  kept
          HN    LYS+  81 - QG1   VAL   18  14.83 +/- 4.70   4.671% * 30.4309% (0.84   0.02   0.02) =   5.164%  kept
          QE    PHE   59 - QG1   VAL   18  10.49 +/- 2.17  14.385% *  8.1111% (0.22   0.02   0.02) =   4.240%  kept
    Distance limit 3.12 A violated in 15 structures by 2.42 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   3.40 +/- 0.47  96.703% * 99.8229% (0.92   5.47  76.44) =  99.994%  kept
          HN    SER   13 - QG1   VAL   18  12.24 +/- 2.34   3.297% *  0.1771% (0.45   0.02   0.02) =   0.006%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.311, support = 1.48, residual support = 1.37:
          HN    LYS+  74 - QG1   VAL   18   4.62 +/- 4.02  74.685% * 92.3764% (0.31   1.49   1.38) =  99.210%  kept
          HN    THR   46 - QG1   VAL   18  10.65 +/- 4.05   9.419% *  2.9121% (0.73   0.02   0.02) =   0.394%  kept
          HN    MET   92 - QG1   VAL   18  16.51 +/- 3.82   3.936% *  3.5965% (0.90   0.02   0.02) =   0.204%  kept
          HN    ASP- 113 - QG1   VAL   18  16.65 +/- 2.87  11.960% *  1.1150% (0.28   0.02   0.02) =   0.192%  kept
    Distance limit 3.57 A violated in 5 structures by 1.40 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.821, support = 4.53, residual support = 20.7:
          HN    ILE   19 - QG1   VAL   18   2.95 +/- 0.50  69.017% * 93.9857% (0.84   4.61  21.16) =  97.714%  kept
          HN    LEU   73 - QG1   VAL   18   5.39 +/- 3.24  25.560% *  5.9178% (0.20   1.23   0.81) =   2.279%  kept
          HN    VAL   42 - QG1   VAL   18   8.03 +/- 3.14   5.423% *  0.0966% (0.20   0.02   0.02) =   0.008%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.801, support = 0.602, residual support = 0.321:
          QD    PHE   60 - QG2   VAL   18   7.04 +/- 2.52  20.501% * 52.4124% (0.80   0.78   0.45) =  70.386%  kept
          HN    LYS+  66 - QG2   VAL   18   6.11 +/- 2.62  28.630% *  9.2812% (0.98   0.11   0.02) =  17.406%  kept
          QD    PHE   60 - QG1   VAL   41  11.17 +/- 1.90   5.423% * 19.9575% (0.61   0.39   0.02) =   7.090%  kept
          QE    PHE   59 - QG2   VAL   18  10.67 +/- 1.67   4.587% *  8.5598% (0.57   0.18   0.02) =   2.572%  kept
          HN    PHE   59 - QG2   VAL   18  10.67 +/- 1.71   4.194% *  3.3660% (0.22   0.18   0.02) =   0.925%  kept
          QE    PHE   59 - QG1   VAL   41  12.40 +/- 2.17   4.756% *  2.7696% (0.43   0.08   0.02) =   0.863%  kept
          HN    LYS+  66 - QG1   VAL   41  12.36 +/- 1.39   3.835% *  1.2589% (0.75   0.02   0.02) =   0.316%  kept
          HN    LYS+  81 - QG1   VAL   41  14.44 +/- 3.16   3.906% *  0.5758% (0.34   0.02   0.02) =   0.147%  kept
          QD    PHE   60 - QD2   LEU  104  12.78 +/- 3.28   5.439% *  0.2068% (0.12   0.02   0.02) =   0.074%
          QE    PHE   59 - QD2   LEU  104  11.36 +/- 3.05   6.907% *  0.1462% (0.09   0.02   0.02) =   0.066%
          HN    LYS+  81 - QG2   VAL   18  16.03 +/- 4.31   1.312% *  0.7534% (0.45   0.02   0.02) =   0.065%
          HN    LYS+  66 - QD2   LEU  104  14.80 +/- 2.07   1.819% *  0.2531% (0.15   0.02   0.02) =   0.030%
          HN    PHE   59 - QG1   VAL   41  15.78 +/- 1.51   1.580% *  0.2859% (0.17   0.02   0.02) =   0.030%
          HN    PHE   59 - QD2   LEU  104  15.74 +/- 3.96   6.072% *  0.0575% (0.03   0.02   0.02) =   0.023%
          HN    LYS+  81 - QD2   LEU  104  18.17 +/- 3.34   1.039% *  0.1158% (0.07   0.02   0.02) =   0.008%
    Distance limit 3.18 A violated in 12 structures by 1.70 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.606, support = 5.23, residual support = 76.4:
          HN    VAL   18 - QG2   VAL   18   2.31 +/- 0.70  81.784% * 98.1328% (0.61   5.23  76.44) =  99.958%  kept
          HN    GLU-  29 - QG1   VAL   41   9.47 +/- 2.05   2.323% *  0.3431% (0.55   0.02   0.02) =   0.010%
          HN    GLU-  29 - QG2   VAL   18  12.95 +/- 1.92   1.709% *  0.4490% (0.73   0.02   0.02) =   0.010%
          HN    GLN   30 - QG1   VAL   41   7.74 +/- 2.23   5.234% *  0.1178% (0.19   0.02   0.02) =   0.008%
          HN    GLN   30 - QG2   VAL   18  11.25 +/- 1.76   2.282% *  0.1542% (0.25   0.02   0.02) =   0.004%
          HN    VAL   18 - QG1   VAL   41  11.75 +/- 2.99   1.190% *  0.2866% (0.46   0.02   0.02) =   0.004%
          HN    ASP-  86 - QG1   VAL   41  13.38 +/- 2.03   1.719% *  0.1459% (0.24   0.02   0.02) =   0.003%
          HN    ASP-  86 - QG2   VAL   18  18.41 +/- 3.68   0.470% *  0.1909% (0.31   0.02   0.02) =   0.001%
          HN    GLU-  29 - QD2   LEU  104  15.94 +/- 2.71   0.661% *  0.0690% (0.11   0.02   0.02) =   0.001%
          HN    VAL   18 - QD2   LEU  104  16.34 +/- 2.82   0.584% *  0.0576% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  14.91 +/- 2.93   0.989% *  0.0293% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  14.52 +/- 2.75   1.056% *  0.0237% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.53, residual support = 75.4:
          HN    VAL   41 - QG1   VAL   41   2.36 +/- 0.55  82.874% * 96.5518% (0.14   4.54  75.49) =  99.875%  kept
          HN    LYS+ 106 - QD2   LEU  104   7.40 +/- 0.54   4.312% *  2.0016% (0.01   1.20   0.43) =   0.108%  kept
          HN    LYS+ 106 - QG1   VAL   41  11.96 +/- 1.49   0.870% *  0.6225% (0.20   0.02   0.02) =   0.007%
          HN    VAL   41 - QG2   VAL   18  11.54 +/- 2.26   1.215% *  0.3254% (0.10   0.02   0.02) =   0.005%
          HN    VAL   41 - QD2   LEU  104   6.42 +/- 1.45  10.313% *  0.0229% (0.01   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QG2   VAL   18  16.52 +/- 1.54   0.416% *  0.4758% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 86.0:
          HN    VAL   83 - QG1   VAL   83   2.82 +/- 0.50  94.447% * 98.5344% (0.36   5.34  85.99) =  99.979%  kept
          HN    CYS   50 - QG1   VAL   83  15.91 +/- 3.03   0.927% *  0.7792% (0.75   0.02   0.02) =   0.008%
          HE22  GLN   30 - QG1   VAL   83  11.25 +/- 3.49   3.508% *  0.1778% (0.17   0.02   0.02) =   0.007%
          HN    TRP   49 - QG1   VAL   83  15.18 +/- 2.87   1.118% *  0.5086% (0.49   0.02   0.02) =   0.006%
    Distance limit 3.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.499, support = 0.369, residual support = 0.0983:
          QG1   VAL   24 - QG1   VAL   83   6.58 +/- 3.61  25.799% * 49.3434% (0.46  1.00   0.67   0.12) =  53.627%  kept
        T QG2   VAL   24 - QG1   VAL   83   5.59 +/- 4.07  43.530% * 14.7248% (0.46 10.00   0.02   0.12) =  27.002%  kept
        T QG1   VAL  107 - QG1   VAL   83  12.27 +/- 1.29  15.611% * 24.2771% (0.75 10.00   0.02   0.02) =  15.965%  kept
        T HG    LEU   63 - QG1   VAL   83  14.72 +/- 2.41   6.790% * 10.5040% (0.33 10.00   0.02   0.02) =   3.005%  kept
          HD3   LYS+ 112 - QG1   VAL   83  16.24 +/- 2.52   8.271% *  1.1506% (0.36  1.00   0.02   0.02) =   0.401%  kept
    Distance limit 3.02 A violated in 7 structures by 1.85 A, kept.
    Not enough total support, support cutoff is 0.66
    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 = 0.566, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.12 +/- 1.71  16.925% * 27.9530% (0.14 10.00   0.02   0.02) =  33.104%  kept
          HB2   PRO   58 - HA    ILE   19  17.18 +/- 3.42  18.374% * 19.0666% (0.92  1.00   0.02   0.02) =  24.513%  kept
          HB3   PHE   97 - HA    ILE   19  18.10 +/- 1.35  11.468% * 19.0666% (0.92  1.00   0.02   0.02) =  15.300%  kept
          HB2   GLU- 100 - HA    ILE   19  20.42 +/- 3.17  10.792% * 14.1878% (0.69  1.00   0.02   0.02) =  10.714%  kept
          HB2   GLN  116 - HA    ILE   19  22.17 +/- 3.80   7.391% * 16.5389% (0.80  1.00   0.02   0.02) =   8.554%  kept
          QG    GLU-  79 - HA    ILE   19  13.22 +/- 4.40  35.049% *  3.1869% (0.15  1.00   0.02   0.02) =   7.816%  kept
    Distance limit 3.84 A violated in 20 structures by 7.01 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.09, residual support = 20.1:
      O   HN    ALA   20 - HA    ILE   19   2.28 +/- 0.10  99.556% * 99.9363% (0.73  10.0   5.09  20.06) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  15.61 +/- 2.72   0.361% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  25.66 +/- 3.22   0.083% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.82, residual support = 126.2:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.03  91.240% * 99.8764% (0.98  10.0   5.82 126.21) =  99.994%  kept
          HN    LEU   73 - HA    ILE   19   7.61 +/- 2.53   6.726% *  0.0618% (0.61   1.0   0.02   5.45) =   0.005%
          HN    VAL   42 - HA    ILE   19  11.42 +/- 2.59   2.034% *  0.0618% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 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 = 2.56, residual support = 5.45:
          HA    LEU   73 - HB    ILE   19   5.35 +/- 3.85 100.000% *100.0000% (0.95   2.56   5.45) = 100.000%  kept
    Distance limit 3.89 A violated in 5 structures by 1.90 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.653, support = 4.97, residual support = 123.7:
      O   HN    ILE   19 - HB    ILE   19   2.94 +/- 0.41  81.872% * 89.0721% (0.65  10.0   5.04 126.21) =  97.912%  kept
          HN    LEU   73 - HB    ILE   19   6.33 +/- 2.93  14.417% * 10.7567% (0.97   1.0   1.62   5.45) =   2.082%  kept
          HN    VAL   42 - HB    ILE   19  10.09 +/- 3.37   3.447% *  0.1329% (0.97   1.0   0.02   0.02) =   0.006%
          HN    LYS+ 106 - HB    ILE   19  20.86 +/- 1.58   0.264% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.442, support = 0.02, residual support = 0.212:
          QD2   LEU   67 - HG13  ILE   19   9.84 +/- 3.06  12.523% * 39.2581% (0.69   0.02   0.02) =  43.744%  kept
          QD1   LEU   40 - HG13  ILE   19  10.10 +/- 2.46  12.646% * 23.4959% (0.41   0.02   0.02) =  26.438%  kept
          QD1   LEU   40 - HG    LEU   71   5.89 +/- 1.31  37.545% *  3.3680% (0.06   0.02   1.73) =  11.251%  kept
          QD2   LEU   67 - HG    LEU   71   8.18 +/- 1.93  20.403% *  5.6275% (0.10   0.02   0.02) =  10.216%  kept
          QG2   ILE  119 - HG13  ILE   19  15.70 +/- 3.42   3.046% * 15.8904% (0.28   0.02   0.02) =   4.307%  kept
          QD1   ILE  103 - HG13  ILE   19  15.64 +/- 3.20   3.011% *  8.8183% (0.15   0.02   0.02) =   2.363%  kept
          QG2   ILE  119 - HG    LEU   71  13.77 +/- 4.49   5.133% *  2.2778% (0.04   0.02   0.02) =   1.040%  kept
          QD1   ILE  103 - HG    LEU   71  12.62 +/- 2.37   5.693% *  1.2641% (0.02   0.02   0.02) =   0.640%  kept
    Distance limit 3.06 A violated in 16 structures by 2.26 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.638, support = 4.98, residual support = 124.0:
          HN    ILE   19 - HG13  ILE   19   2.72 +/- 0.71  63.831% * 86.0974% (0.65   5.04 126.21) =  98.263%  kept
          HN    LEU   73 - HG    LEU   71   8.16 +/- 1.13   5.995% *  8.1455% (0.14   2.23   1.76) =   0.873%  kept
          HN    VAL   42 - HG    LEU   71   7.49 +/- 1.65  10.128% *  3.6063% (0.14   0.99   1.70) =   0.653%  kept
          HN    ILE   19 - HG    LEU   71   8.80 +/- 2.69   5.257% *  0.9642% (0.09   0.39   0.40) =   0.091%
          HN    LEU   73 - HG13  ILE   19   7.11 +/- 2.93   8.452% *  0.5094% (0.97   0.02   5.45) =   0.077%
          HN    VAL   42 - HG13  ILE   19  10.24 +/- 3.46   4.668% *  0.5094% (0.97   0.02   0.02) =   0.043%
          HN    LYS+ 106 - HG    LEU   71  16.68 +/- 4.65   1.466% *  0.0210% (0.04   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  21.00 +/- 1.80   0.204% *  0.1468% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.253, support = 1.47, residual support = 5.54:
          HE22  GLN   30 - QD1   ILE   19   4.65 +/- 1.59  79.715% * 91.1922% (0.25   1.49   5.59) =  99.168%  kept
          HN    TRP   49 - QD1   ILE   19  18.11 +/- 3.03   8.399% *  3.1854% (0.65   0.02   0.02) =   0.365%  kept
          HN    CYS   50 - QD1   ILE   19  18.12 +/- 2.42   6.290% *  3.9428% (0.80   0.02   0.02) =   0.338%  kept
          HN    VAL   83 - QD1   ILE   19  16.18 +/- 3.01   5.596% *  1.6796% (0.34   0.02   0.02) =   0.128%  kept
    Distance limit 4.21 A violated in 1 structures by 0.60 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  18.17 +/- 1.74 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.01 A violated in 20 structures by 14.16 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 3.55, residual support = 20.0:
          HA    ILE   19 - QB    ALA   20   3.88 +/- 0.06  87.151% * 98.6213% (0.92   3.55  20.06) =  99.928%  kept
          HA    GLU-  25 - QB    ALA   20  10.93 +/- 1.15   4.925% *  0.6011% (1.00   0.02   0.02) =   0.034%
          HA    CYS   53 - QB    ALA   20  14.71 +/- 4.07   6.473% *  0.4129% (0.69   0.02   0.02) =   0.031%
          HA    SER   82 - QB    ALA   20  16.44 +/- 3.74   1.450% *  0.3646% (0.61   0.02   0.02) =   0.006%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.827, support = 0.02, residual support = 3.6:
          QE    LYS+  74 - QB    ALA   20   6.52 +/- 2.62  45.944% * 25.4326% (0.90   0.02   6.57) =  54.624%  kept
          HB2   PHE   72 - QB    ALA   20   8.27 +/- 2.19  25.823% * 16.0552% (0.57   0.02   0.02) =  19.382%  kept
          QB    CYS   50 - QB    ALA   20  12.15 +/- 3.39  13.089% * 26.1780% (0.92   0.02   0.02) =  16.019%  kept
          HB3   ASN   69 - QB    ALA   20  14.62 +/- 2.23   6.168% * 27.3678% (0.97   0.02   0.02) =   7.891%  kept
          HB3   ASP-  78 - QB    ALA   20  12.01 +/- 3.53   8.976% *  4.9664% (0.18   0.02   0.02) =   2.084%  kept
    Distance limit 3.67 A violated in 13 structures by 2.15 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.873, support = 2.06, residual support = 4.83:
          HD2   HIS   22 - QB    ALA   20   3.81 +/- 0.47  56.395% * 71.1530% (0.92   2.19   5.53) =  86.949%  kept
          HN    THR   23 - QB    ALA   20   5.32 +/- 0.92  23.766% * 24.0785% (0.53   1.30   0.17) =  12.400%  kept
          HD1   TRP   49 - QB    ALA   20  14.88 +/- 5.21   7.629% *  3.3143% (0.99   0.09   0.02) =   0.548%  kept
          HN    LEU   67 - QB    ALA   20  10.95 +/- 1.95   4.667% *  0.6319% (0.90   0.02   0.02) =   0.064%
          QE    PHE   95 - QB    ALA   20  12.93 +/- 2.97   3.445% *  0.3429% (0.49   0.02   0.02) =   0.026%
          QD    PHE   55 - QB    ALA   20  15.45 +/- 3.77   3.299% *  0.1087% (0.15   0.02   0.02) =   0.008%
          HD21  ASN   35 - QB    ALA   20  16.61 +/- 1.62   0.799% *  0.3707% (0.53   0.02   0.02) =   0.006%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.89, residual support = 16.0:
          HN    CYS   21 - QB    ALA   20   3.58 +/- 0.08  93.401% * 99.1290% (0.95   3.89  16.05) =  99.984%  kept
          HN    LYS+  33 - QB    ALA   20  12.45 +/- 1.09   2.398% *  0.3268% (0.61   0.02   0.02) =   0.008%
          HN    ILE  119 - QB    ALA   20  17.43 +/- 3.51   1.401% *  0.2835% (0.53   0.02   0.02) =   0.004%
          HN    SER   37 - QB    ALA   20  14.90 +/- 2.04   1.795% *  0.0944% (0.18   0.02   0.02) =   0.002%
          HN    ILE   89 - QB    ALA   20  17.10 +/- 2.78   1.005% *  0.1663% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.6, residual support = 14.8:
      O   HN    ALA   20 - QB    ALA   20   2.15 +/- 0.12  99.028% * 99.6086% (0.31  10.0   3.60  14.84) =  99.998%  kept
          HN    PHE   45 - QB    ALA   20  12.10 +/- 2.60   0.802% *  0.2343% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ALA  110 - QB    ALA   20  20.65 +/- 3.53   0.170% *  0.1571% (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 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.602, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB2   CYS   21  11.89 +/- 3.25  16.424% *  9.0526% (0.65   0.02   0.02) =  21.644%  kept
          HG    LEU  123 - HB2   CYS   21  24.14 +/- 5.66   7.684% * 13.7167% (0.98   0.02   0.02) =  15.343%  kept
          QB    LYS+  33 - HB2   CYS   21   9.96 +/- 1.67  21.926% *  4.7734% (0.34   0.02   0.02) =  15.236%  kept
          HG3   PRO   68 - HB2   CYS   21  17.68 +/- 3.53   8.438% *  7.9226% (0.57   0.02   0.02) =   9.732%  kept
          HG12  ILE  103 - HB2   CYS   21  17.33 +/- 3.14   4.322% * 11.2053% (0.80   0.02   0.02) =   7.049%  kept
          QB    LYS+  66 - HB2   CYS   21  15.04 +/- 1.52   6.408% *  6.2738% (0.45   0.02   0.02) =   5.852%  kept
          HB3   PRO   52 - HB2   CYS   21  22.23 +/- 3.68   2.621% * 13.7167% (0.98   0.02   0.02) =   5.234%  kept
          QB    LYS+  81 - HB2   CYS   21  14.27 +/- 3.96   9.940% *  3.1155% (0.22   0.02   0.02) =   4.508%  kept
          HG2   ARG+  54 - HB2   CYS   21  20.45 +/- 3.58   3.727% *  6.8115% (0.49   0.02   0.02) =   3.695%  kept
          HB    ILE  103 - HB2   CYS   21  19.17 +/- 3.10   3.104% *  7.3624% (0.53   0.02   0.02) =   3.327%  kept
          HG2   PRO   93 - HB2   CYS   21  19.73 +/- 3.48   5.769% *  3.1155% (0.22   0.02   0.02) =   2.616%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.81 +/- 1.92   2.673% *  6.2738% (0.45   0.02   0.02) =   2.441%  kept
          HB3   GLN   90 - HB2   CYS   21  21.14 +/- 3.77   3.139% *  3.8908% (0.28   0.02   0.02) =   1.778%  kept
          QB    LYS+ 106 - HB2   CYS   21  17.82 +/- 2.03   3.826% *  2.7693% (0.20   0.02   0.02) =   1.543%  kept
    Distance limit 3.76 A violated in 19 structures by 4.35 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 1.49, residual support = 9.44:
          QD1   LEU   73 - HB2   CYS   21   3.66 +/- 2.01  52.093% * 94.3053% (0.80   1.50   9.52) =  99.239%  kept
          QD1   LEU   63 - HB2   CYS   21  12.60 +/- 2.54  11.597% *  1.2574% (0.80   0.02   0.02) =   0.295%  kept
          QD2   LEU   80 - HB2   CYS   21   7.56 +/- 4.53  11.789% *  0.6456% (0.41   0.02   0.02) =   0.154%  kept
          QD2   LEU   63 - HB2   CYS   21  12.04 +/- 1.90   5.066% *  1.4496% (0.92   0.02   0.02) =   0.148%  kept
          QD1   LEU   80 - HB2   CYS   21   8.44 +/- 5.05  12.629% *  0.3496% (0.22   0.02   0.02) =   0.089%
          QG2   VAL   41 - HB2   CYS   21   9.44 +/- 2.76   3.955% *  0.5894% (0.38   0.02   0.02) =   0.047%
          QD2   LEU  115 - HB2   CYS   21  16.14 +/- 2.67   1.064% *  0.7040% (0.45   0.02   0.02) =   0.015%
          QD2   LEU   98 - HB2   CYS   21  12.44 +/- 3.27   1.241% *  0.3496% (0.22   0.02   0.02) =   0.009%
          QD1   LEU  104 - HB2   CYS   21  16.74 +/- 2.46   0.567% *  0.3496% (0.22   0.02   0.02) =   0.004%
    Distance limit 3.78 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.77, residual support = 29.9:
      O T HA    CYS   21 - HB2   CYS   21   2.76 +/- 0.26  98.557% * 99.6850% (0.92  10.0 10.00   2.77  29.87) =  99.999%  kept
          HA    TRP   49 - HB2   CYS   21  19.29 +/- 3.64   0.489% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  19.30 +/- 3.81   0.380% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  18.77 +/- 2.74   0.431% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  25.04 +/- 2.15   0.143% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.762, support = 3.12, residual support = 6.32:
          HD2   HIS   22 - HB2   CYS   21   6.19 +/- 0.64  30.605% * 73.6484% (0.92   3.74   8.18) =  59.458%  kept
          HN    THR   23 - HB2   CYS   21   4.43 +/- 0.90  61.272% * 25.0468% (0.53   2.23   3.60) =  40.482%  kept
          HN    LEU   67 - HB2   CYS   21  14.37 +/- 1.68   2.201% *  0.3830% (0.90   0.02   0.02) =   0.022%
          HD1   TRP   49 - HB2   CYS   21  19.01 +/- 4.39   1.635% *  0.4233% (0.99   0.02   0.02) =   0.018%
          QE    PHE   95 - HB2   CYS   21  15.50 +/- 2.10   1.717% *  0.2079% (0.49   0.02   0.02) =   0.009%
          HD21  ASN   35 - HB2   CYS   21  16.00 +/- 1.69   1.476% *  0.2247% (0.53   0.02   0.02) =   0.009%
          QD    PHE   55 - HB2   CYS   21  19.97 +/- 3.52   1.094% *  0.0659% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.17 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.41, residual support = 29.9:
      O   HN    CYS   21 - HB2   CYS   21   2.55 +/- 0.33  95.493% * 99.8294% (0.95  10.0   3.41  29.87) =  99.998%  kept
          HN    LYS+  33 - HB2   CYS   21  10.72 +/- 1.54   1.813% *  0.0640% (0.61   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB2   CYS   21  21.31 +/- 4.34   1.649% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB2   CYS   21  17.95 +/- 3.70   0.404% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  14.96 +/- 2.16   0.641% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.41, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HB3   CYS   21  12.54 +/- 3.16  14.387% *  9.0526% (0.44   0.02   0.02) =  19.297%  kept
          QB    LYS+  33 - HB3   CYS   21  10.15 +/- 1.86  22.993% *  4.7734% (0.23   0.02   0.02) =  16.262%  kept
          HG    LEU  123 - HB3   CYS   21  25.30 +/- 5.69   7.653% * 13.7167% (0.67   0.02   0.02) =  15.552%  kept
          HG3   PRO   68 - HB3   CYS   21  18.71 +/- 3.76   8.675% *  7.9226% (0.39   0.02   0.02) =  10.183%  kept
          HG12  ILE  103 - HB3   CYS   21  17.87 +/- 3.19   4.214% * 11.2053% (0.55   0.02   0.02) =   6.996%  kept
          QB    LYS+  81 - HB3   CYS   21  13.89 +/- 3.99  12.028% *  3.1155% (0.15   0.02   0.02) =   5.552%  kept
          HB3   PRO   52 - HB3   CYS   21  22.85 +/- 4.33   2.627% * 13.7167% (0.67   0.02   0.02) =   5.339%  kept
          QB    LYS+  66 - HB3   CYS   21  15.95 +/- 1.66   5.570% *  6.2738% (0.31   0.02   0.02) =   5.178%  kept
          HG2   ARG+  54 - HB3   CYS   21  21.19 +/- 4.15   4.103% *  6.8115% (0.33   0.02   0.02) =   4.141%  kept
          HB    ILE  103 - HB3   CYS   21  19.68 +/- 3.17   3.047% *  7.3624% (0.36   0.02   0.02) =   3.324%  kept
          HB3   ASP- 105 - HB3   CYS   21  20.61 +/- 2.06   2.499% *  6.2738% (0.31   0.02   0.02) =   2.323%  kept
          HG2   PRO   93 - HB3   CYS   21  20.27 +/- 3.39   5.020% *  3.1155% (0.15   0.02   0.02) =   2.317%  kept
          HB3   GLN   90 - HB3   CYS   21  21.15 +/- 3.86   3.545% *  3.8908% (0.19   0.02   0.02) =   2.043%  kept
          QB    LYS+ 106 - HB3   CYS   21  18.33 +/- 2.08   3.638% *  2.7693% (0.14   0.02   0.02) =   1.493%  kept
    Distance limit 3.85 A violated in 19 structures by 4.48 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.604, support = 2.01, residual support = 3.04:
          QG2   THR   26 - HB3   CYS   21   3.29 +/- 1.93  57.315% * 74.2326% (0.60   2.17   2.50) =  89.830%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.92 +/- 2.13  20.319% * 23.3058% (0.69   0.59   8.01) =   9.998%  kept
          QB    ALA  120 - HB3   CYS   21  22.17 +/- 4.18   8.649% *  0.2694% (0.23   0.02   0.02) =   0.049%
          HD2   LYS+ 121 - HB3   CYS   21  24.15 +/- 4.35   3.126% *  0.5736% (0.50   0.02   0.02) =   0.038%
          HG2   LYS+  65 - HB3   CYS   21  15.17 +/- 2.74   2.041% *  0.6325% (0.55   0.02   0.02) =   0.027%
          HB3   LEU   40 - HB3   CYS   21  15.91 +/- 2.25   2.408% *  0.4472% (0.39   0.02   0.02) =   0.023%
          HG    LEU  115 - HB3   CYS   21  20.47 +/- 3.77   3.663% *  0.2694% (0.23   0.02   0.02) =   0.021%
          QD    LYS+  66 - HB3   CYS   21  17.12 +/- 1.95   2.480% *  0.2694% (0.23   0.02   0.02) =   0.014%
    Distance limit 4.14 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.548, support = 1.48, residual support = 9.41:
          QD1   LEU   73 - HB3   CYS   21   4.37 +/- 1.92  41.304% * 94.3053% (0.55   1.50   9.52) =  98.917%  kept
          QD2   LEU   80 - HB3   CYS   21   7.33 +/- 4.45  19.344% *  0.6456% (0.28   0.02   0.02) =   0.317%  kept
          QD1   LEU   63 - HB3   CYS   21  13.49 +/- 2.85   9.726% *  1.2574% (0.55   0.02   0.02) =   0.311%  kept
          QD2   LEU   63 - HB3   CYS   21  12.93 +/- 2.39   5.550% *  1.4496% (0.63   0.02   0.02) =   0.204%  kept
          QD1   LEU   80 - HB3   CYS   21   8.30 +/- 5.02  16.174% *  0.3496% (0.15   0.02   0.02) =   0.144%  kept
          QG2   VAL   41 - HB3   CYS   21   9.96 +/- 2.54   4.360% *  0.5894% (0.26   0.02   0.02) =   0.065%
          QD2   LEU  115 - HB3   CYS   21  16.82 +/- 3.17   1.186% *  0.7040% (0.31   0.02   0.02) =   0.021%
          QD2   LEU   98 - HB3   CYS   21  12.91 +/- 3.21   1.719% *  0.3496% (0.15   0.02   0.02) =   0.015%
          QD1   LEU  104 - HB3   CYS   21  17.34 +/- 2.57   0.637% *  0.3496% (0.15   0.02   0.02) =   0.006%
    Distance limit 3.95 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.39, residual support = 29.9:
      O   HN    CYS   21 - HB3   CYS   21   3.37 +/- 0.43  90.641% * 99.8294% (0.65  10.0   3.39  29.87) =  99.995%  kept
          HN    LYS+  33 - HB3   CYS   21  10.93 +/- 1.66   3.346% *  0.0640% (0.42   1.0   0.02   0.02) =   0.002%
          HN    ILE  119 - HB3   CYS   21  22.30 +/- 4.67   3.834% *  0.0555% (0.36   1.0   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   CYS   21  18.05 +/- 3.71   1.035% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.47 +/- 2.11   1.143% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.524, support = 0.706, residual support = 1.4:
          HN    TRP   27 - HB3   CYS   21   4.06 +/- 1.82  67.378% * 88.0344% (0.52   0.71   1.41) =  99.094%  kept
          HD1   TRP   87 - HB3   CYS   21  15.48 +/- 4.34   6.572% *  2.9868% (0.63   0.02   0.02) =   0.328%  kept
          HN    ALA   61 - HB3   CYS   21  15.30 +/- 3.34  12.390% *  1.1037% (0.23   0.02   0.02) =   0.228%  kept
          HN    THR   39 - HB3   CYS   21  15.24 +/- 1.88   2.533% *  3.0608% (0.65   0.02   0.02) =   0.130%  kept
          HN    ALA   91 - HB3   CYS   21  20.10 +/- 3.44   4.382% *  1.3302% (0.28   0.02   0.02) =   0.097%
          HN    GLU-  36 - HB3   CYS   21  15.14 +/- 1.89   2.280% *  1.8319% (0.39   0.02   0.02) =   0.070%
          HN    LYS+ 102 - HB3   CYS   21  20.23 +/- 3.66   1.588% *  1.2144% (0.26   0.02   0.02) =   0.032%
          HE3   TRP   87 - HB3   CYS   21  17.92 +/- 4.59   2.876% *  0.4379% (0.09   0.02   0.02) =   0.021%
    Distance limit 4.13 A violated in 3 structures by 0.60 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.26, residual support = 6.36:
          HD2   HIS   22 - HB3   CYS   21   5.92 +/- 0.60  28.307% * 76.7624% (0.63   4.07   8.18) =  60.244%  kept
          HN    THR   23 - HB3   CYS   21   3.97 +/- 0.82  65.132% * 21.9887% (0.36   2.04   3.60) =  39.707%  kept
          HD1   TRP   49 - HB3   CYS   21  19.40 +/- 4.53   1.840% *  0.4052% (0.68   0.02   0.02) =   0.021%
          HN    LEU   67 - HB3   CYS   21  15.41 +/- 1.71   1.304% *  0.3666% (0.62   0.02   0.02) =   0.013%
          QE    PHE   95 - HB3   CYS   21  16.19 +/- 2.25   1.327% *  0.1990% (0.33   0.02   0.02) =   0.007%
          HD21  ASN   35 - HB3   CYS   21  16.28 +/- 1.59   0.962% *  0.2151% (0.36   0.02   0.02) =   0.006%
          QD    PHE   55 - HB3   CYS   21  20.69 +/- 4.17   1.127% *  0.0631% (0.11   0.02   0.02) =   0.002%
    Distance limit 4.22 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.72, residual support = 29.9:
      O T HA    CYS   21 - HB3   CYS   21   2.61 +/- 0.19  98.727% * 99.6850% (0.63  10.0 10.00   2.72  29.87) =  99.999%  kept
          HA    TRP   49 - HB3   CYS   21  19.67 +/- 3.82   0.508% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   CYS   21  19.75 +/- 3.88   0.286% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.33 +/- 3.15   0.360% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  25.57 +/- 2.39   0.120% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.712, support = 2.89, residual support = 34.0:
      O   HD2   HIS   22 - HB2   HIS   22   3.83 +/- 0.32  56.131% * 87.2282% (0.74  10.0   2.70  35.18) =  91.616%  kept
          HN    THR   23 - HB2   HIS   22   4.47 +/- 0.06  35.844% * 12.4831% (0.42   1.0   5.02  21.57) =   8.372%  kept
          HD1   TRP   49 - HB2   HIS   22  18.30 +/- 6.00   5.059% *  0.0937% (0.79   1.0   0.02   0.02) =   0.009%
          HN    LEU   67 - HB2   HIS   22  18.46 +/- 2.54   0.604% *  0.0847% (0.72   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB2   HIS   22  18.04 +/- 3.37   0.913% *  0.0460% (0.39   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   HIS   22  21.66 +/- 1.71   0.336% *  0.0497% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  20.80 +/- 5.74   1.114% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.931, support = 3.31, residual support = 34.9:
      O   HD2   HIS   22 - HB3   HIS   22   3.02 +/- 0.36  70.920% * 94.8169% (0.95  10.0   3.26  35.18) =  98.089%  kept
          HN    THR   23 - HB3   HIS   22   4.40 +/- 0.16  26.470% *  4.9426% (0.18   1.0   5.63  21.57) =   1.908%  kept
          HD1   TRP   49 - HB3   HIS   22  19.52 +/- 5.88   1.411% *  0.0837% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB3   HIS   22  18.55 +/- 2.53   0.530% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.94 +/- 1.90   0.240% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  18.76 +/- 3.06   0.428% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.44, residual support = 21.6:
          QG2   THR   23 - HB3   HIS   22   3.73 +/- 0.35  95.207% * 96.1194% (0.34   3.44  21.57) =  99.930%  kept
          QG2   THR   77 - HB3   HIS   22  13.34 +/- 2.14   2.946% *  1.6224% (0.99   0.02   0.02) =   0.052%
          QB    ALA   88 - HB3   HIS   22  19.93 +/- 3.08   0.978% *  1.1886% (0.73   0.02   0.02) =   0.013%
          HG2   LYS+  38 - HB3   HIS   22  23.51 +/- 2.86   0.510% *  0.6144% (0.38   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HB3   HIS   22  25.33 +/- 2.17   0.358% *  0.4551% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.451, support = 2.89, residual support = 9.64:
          HN    ALA   47 - HB    THR   46   3.25 +/- 0.66  80.800% * 60.8839% (0.38   3.20  11.05) =  86.755%  kept
          QD    PHE   95 - HB    THR   46   7.08 +/- 1.87  19.200% * 39.1161% (0.95   0.82   0.42) =  13.245%  kept
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 34.1:
      O   HN    THR   46 - HB    THR   46   3.54 +/- 0.33  81.142% * 99.6646% (0.87  10.0   3.22  34.15) =  99.982%  kept
          HN    MET   92 - HB    THR   46   9.09 +/- 1.60   7.361% *  0.0789% (0.69   1.0   0.02   0.02) =   0.007%
          HN    LYS+ 112 - HB    THR   46  10.81 +/- 3.05   7.413% *  0.0604% (0.53   1.0   0.02   0.02) =   0.006%
          HN    LYS+  74 - HB    THR   46  10.85 +/- 2.13   3.752% *  0.1126% (0.98   1.0   0.02   0.26) =   0.005%
          HN    MET   11 - HB    THR   46  27.96 +/- 5.43   0.333% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 0.02, residual support = 0.02:
        T HB2   LEU   63 - HB2   HIS   22  18.28 +/- 3.67  13.585% * 28.3087% (0.14 10.00   0.02   0.02) =  33.835%  kept
          QG2   THR   77 - HB2   HIS   22  12.54 +/- 2.42  23.842% * 12.9434% (0.64  1.00   0.02   0.02) =  27.150%  kept
          HB3   LEU   80 - HB2   HIS   22  12.55 +/- 4.38  29.983% *  4.0306% (0.20  1.00   0.02   0.02) =  10.633%  kept
          QB    ALA   88 - HB2   HIS   22  19.30 +/- 3.05   7.287% * 16.1643% (0.80  1.00   0.02   0.02) =  10.363%  kept
          HB2   LEU   31 - HB2   HIS   22  15.87 +/- 0.98  11.332% *  6.0667% (0.30  1.00   0.02   0.02) =   6.048%  kept
          HG2   LYS+ 111 - HB2   HIS   22  26.84 +/- 5.15   7.653% *  7.2470% (0.36  1.00   0.02   0.02) =   4.880%  kept
          HG2   LYS+  38 - HB2   HIS   22  24.19 +/- 2.76   3.651% * 13.5016% (0.67  1.00   0.02   0.02) =   4.337%  kept
          HG2   LYS+  99 - HB2   HIS   22  25.57 +/- 1.93   2.667% * 11.7377% (0.58  1.00   0.02   0.02) =   2.754%  kept
    Distance limit 4.02 A violated in 20 structures by 5.56 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 16.0:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.02  98.678% * 99.8294% (0.95  10.0   3.44  16.05) =  99.999%  kept
          HN    LYS+  33 - HA    ALA   20  13.33 +/- 1.13   0.513% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  19.93 +/- 3.64   0.237% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  16.45 +/- 2.34   0.380% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  19.14 +/- 3.44   0.192% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  10.28 +/- 3.75 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.27 A violated in 20 structures by 7.02 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.592, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   7.79 +/- 5.41  53.643% * 18.5628% (0.57   0.02   0.02) =  54.768%  kept
          QE    LYS+ 112 - HA    HIS   22  17.70 +/- 4.18  22.633% * 13.7211% (0.42   0.02   0.02) =  17.081%  kept
          QG    GLN   32 - HA    HIS   22  16.19 +/- 0.69   8.264% * 27.4474% (0.85   0.02   0.02) =  12.476%  kept
          HB    VAL  107 - HA    HIS   22  21.49 +/- 2.31   5.683% * 26.5475% (0.82   0.02   0.02) =   8.298%  kept
          HB3   PHE   45 - HA    HIS   22  14.66 +/- 2.55   9.776% * 13.7211% (0.42   0.02   0.02) =   7.378%  kept
    Distance limit 3.38 A violated in 13 structures by 2.99 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   8.01 +/- 2.19  33.139% * 28.4146% (0.26 10.00   0.02   0.02) =  72.307%  kept
          HB    VAL   83 - HA    HIS   22  13.07 +/- 4.66  14.939% *  8.1833% (0.76  1.00   0.02   0.02) =   9.388%  kept
          QD    LYS+  65 - HA    HIS   22  14.29 +/- 3.05  11.336% *  7.4210% (0.69  1.00   0.02   0.02) =   6.460%  kept
          HD2   LYS+  74 - HA    HIS   22   9.04 +/- 2.25  24.578% *  1.7898% (0.17  1.00   0.02   0.02) =   3.378%  kept
          HG3   PRO   93 - HA    HIS   22  19.03 +/- 3.24   2.919% *  8.5362% (0.79  1.00   0.02   0.02) =   1.913%  kept
          QD    LYS+  38 - HA    HIS   22  21.33 +/- 2.60   2.062% *  9.4340% (0.87  1.00   0.02   0.02) =   1.494%  kept
          QD    LYS+ 102 - HA    HIS   22  22.61 +/- 3.15   1.939% *  9.8627% (0.91  1.00   0.02   0.02) =   1.468%  kept
          HB2   LEU  123 - HA    HIS   22  27.39 +/- 5.26   1.760% *  8.1833% (0.76  1.00   0.02   0.02) =   1.106%  kept
          HB2   LYS+ 121 - HA    HIS   22  25.20 +/- 4.55   1.613% *  7.0200% (0.65  1.00   0.02   0.02) =   0.869%  kept
          HB3   MET   92 - HA    HIS   22  18.71 +/- 2.61   2.486% *  4.2014% (0.39  1.00   0.02   0.02) =   0.802%  kept
          HD2   LYS+ 111 - HA    HIS   22  26.45 +/- 4.70   1.452% *  5.3768% (0.50  1.00   0.02   0.02) =   0.600%  kept
          QD    LYS+ 106 - HA    HIS   22  20.93 +/- 1.35   1.778% *  1.5768% (0.15  1.00   0.02   0.02) =   0.215%  kept
    Distance limit 3.53 A violated in 19 structures by 3.15 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.37, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.42 +/- 0.42  82.677% * 67.5049% (0.39   0.02   0.02) =  90.838%  kept
          HN    LEU   40 - HA    HIS   22  18.76 +/- 2.00  17.323% * 32.4951% (0.19   0.02   0.02) =   9.162%  kept
    Distance limit 3.67 A violated in 20 structures by 6.67 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 = 4.42, residual support = 17.2:
      O   HN    VAL   24 - HA    THR   23   2.28 +/- 0.11 100.000% *100.0000% (0.64  10.0   4.42  17.18) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.731, support = 4.57, residual support = 19.0:
          HN    THR   23 - QG2   THR   23   3.28 +/- 0.50  50.147% * 63.1726% (0.73   4.87  18.60) =  86.751%  kept
          HD2   HIS   22 - QG2   THR   23   5.33 +/- 0.78  13.746% * 35.0330% (0.76   2.57  21.57) =  13.187%  kept
          HD1   TRP   49 - QG2   THR   23  17.82 +/- 4.84   1.554% *  0.3203% (0.90   0.02   0.02) =   0.014%
          HN    LEU   67 - QG2   THR   39   9.43 +/- 1.64   5.034% *  0.0788% (0.22   0.02   0.02) =   0.011%
          HE3   TRP   27 - QG2   THR   23   8.51 +/- 0.79   3.198% *  0.0795% (0.22   0.02   1.28) =   0.007%
          HN    LEU   67 - QG2   THR   23  16.56 +/- 1.80   0.477% *  0.3539% (0.99   0.02   0.02) =   0.005%
          QE    PHE   95 - QG2   THR   23  16.39 +/- 2.25   0.624% *  0.2453% (0.69   0.02   0.02) =   0.004%
          QE    PHE   95 - QB    ALA   91   8.07 +/- 1.45   5.766% *  0.0258% (0.07   0.02   0.02) =   0.004%
          HD21  ASN   35 - QG2   THR   39   9.28 +/- 1.11   2.702% *  0.0271% (0.08   0.02   0.02) =   0.002%
          HE3   TRP   27 - QG2   THR   39   9.05 +/- 1.60   4.100% *  0.0177% (0.05   0.02   0.02) =   0.002%
          HD2   HIS   22 - QG2   THR   39  14.16 +/- 2.48   1.192% *  0.0608% (0.17   0.02   0.02) =   0.002%
          HD1   TRP   49 - QB    ALA   91  10.60 +/- 2.05   2.034% *  0.0337% (0.09   0.02   0.02) =   0.002%
          HN    THR   23 - QG2   THR   39  13.70 +/- 1.67   1.020% *  0.0577% (0.16   0.02   0.02) =   0.002%
          HD21  ASN   35 - QG2   THR   23  16.02 +/- 1.19   0.480% *  0.1218% (0.34   0.02   0.02) =   0.002%
          QE    PHE   95 - QG2   THR   39  14.27 +/- 1.79   0.998% *  0.0546% (0.15   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   THR   23  19.50 +/- 3.89   0.472% *  0.0993% (0.28   0.02   0.02) =   0.001%
          QD    PHE   55 - QB    ALA   91  12.65 +/- 3.34   3.936% *  0.0104% (0.03   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   THR   39  21.36 +/- 3.31   0.339% *  0.0713% (0.20   0.02   0.02) =   0.001%
          HN    LEU   67 - QB    ALA   91  18.31 +/- 2.53   0.430% *  0.0372% (0.10   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  17.47 +/- 2.66   0.456% *  0.0273% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  18.87 +/- 1.97   0.346% *  0.0221% (0.06   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  20.07 +/- 2.36   0.261% *  0.0287% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  16.05 +/- 2.00   0.538% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  24.05 +/- 2.18   0.148% *  0.0128% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.342, support = 1.83, residual support = 10.7:
          HB3   ASP-  86 - HA    VAL   83   3.35 +/- 0.90  91.173% * 91.4813% (0.34   1.83  10.77) =  99.739%  kept
          HG3   MET   96 - HA    VAL   83  10.91 +/- 2.58   6.334% *  2.9274% (1.00   0.02   0.54) =   0.222%  kept
          HB3   ASP-  62 - HA    VAL   83  22.20 +/- 2.22   0.537% *  2.2372% (0.76   0.02   0.02) =   0.014%
          HG2   GLU-  29 - HA    VAL   83  16.44 +/- 5.13   1.582% *  0.6517% (0.22   0.02   0.02) =   0.012%
          HG2   GLU-  36 - HA    VAL   83  22.87 +/- 3.18   0.373% *  2.7024% (0.92   0.02   0.02) =   0.012%
    Distance limit 4.08 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.55 +/- 0.65  94.206% * 99.6258% (0.98 10.00   2.25  10.77) =  99.996%  kept
          HB2   ASN   28 - HA    VAL   83  12.94 +/- 5.55   1.719% *  0.0912% (0.90  1.00   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    VAL   83  11.82 +/- 1.57   2.809% *  0.0283% (0.28  1.00   0.02   0.02) =   0.001%
          QE    LYS+  65 - HA    VAL   83  20.76 +/- 3.43   0.593% *  0.0996% (0.98  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    VAL   83  18.15 +/- 3.41   0.367% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  19.40 +/- 4.09   0.306% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 86.0:
      O   HN    VAL   83 - HA    VAL   83   2.80 +/- 0.03  98.094% * 99.7575% (0.57  10.0   4.70  85.99) =  99.998%  kept
          HN    CYS   50 - HA    VAL   83  19.68 +/- 3.52   0.772% *  0.1700% (0.97   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HA    VAL   83  18.70 +/- 3.29   1.134% *  0.0724% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   2.87 +/- 0.13  96.301% * 97.0740% (0.95   2.25  10.77) =  99.976%  kept
          HN    GLN   30 - HA    VAL   83  14.65 +/- 4.88   1.129% *  0.8941% (0.98   0.02   0.02) =   0.011%
          HN    GLU-  29 - HA    VAL   83  14.37 +/- 5.24   1.308% *  0.5164% (0.57   0.02   0.02) =   0.007%
          HN    LYS+  99 - HA    VAL   83  15.79 +/- 2.83   0.812% *  0.4090% (0.45   0.02   0.02) =   0.004%
          HE1   HIS  122 - HA    VAL   83  21.88 +/- 4.27   0.295% *  0.4799% (0.53   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    VAL   83  26.69 +/- 4.36   0.155% *  0.6266% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.716, support = 4.25, residual support = 16.2:
          HD1   TRP   87 - HA    VAL   83   4.15 +/- 0.37  75.299% * 87.1762% (0.73   4.31  16.24) =  97.886%  kept
          HE3   TRP   87 - HA    VAL   83   7.74 +/- 0.52  12.587% * 10.8963% (0.28   1.41  16.24) =   2.045%  kept
          HN    TRP   27 - HA    VAL   83  13.08 +/- 5.39   4.528% *  0.5266% (0.95   0.02   0.68) =   0.036%
          HN    ALA   91 - HA    VAL   83  11.84 +/- 0.81   3.658% *  0.3601% (0.65   0.02   0.02) =   0.020%
          HN    THR   39 - HA    VAL   83  19.79 +/- 2.73   0.849% *  0.4255% (0.76   0.02   0.02) =   0.005%
          HN    ALA   61 - HA    VAL   83  19.91 +/- 2.17   0.782% *  0.3152% (0.57   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HA    VAL   83  16.59 +/- 3.22   1.554% *  0.1102% (0.20   0.02   0.02) =   0.003%
          HN    GLU-  36 - HA    VAL   83  20.28 +/- 3.17   0.743% *  0.1899% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 1 structures by 0.30 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.573, support = 1.68, residual support = 4.59:
          QD2   LEU   80 - HA    VAL   24   4.57 +/- 4.98  42.159% * 40.0292% (0.41   2.07   7.02) =  54.072%  kept
          QD1   LEU   73 - HA    VAL   24   5.52 +/- 2.41  27.608% * 48.0697% (0.80   1.27   1.39) =  42.522%  kept
          QD1   LEU   80 - HA    VAL   24   6.13 +/- 5.11  10.094% *  9.0807% (0.22   0.87   7.02) =   2.937%  kept
          QD2   LEU   63 - HA    VAL   24  13.80 +/- 3.25   9.897% *  0.8700% (0.92   0.02   0.02) =   0.276%  kept
          QD1   LEU   63 - HA    VAL   24  14.31 +/- 3.57   6.509% *  0.7546% (0.80   0.02   0.02) =   0.157%  kept
          QG2   VAL   41 - HA    VAL   24   9.93 +/- 1.81   1.690% *  0.3537% (0.38   0.02   0.02) =   0.019%
          QD2   LEU   98 - HA    VAL   24  12.18 +/- 2.85   1.300% *  0.2098% (0.22   0.02   0.02) =   0.009%
          QD2   LEU  115 - HA    VAL   24  17.04 +/- 2.48   0.439% *  0.4225% (0.45   0.02   0.02) =   0.006%
          QD1   LEU  104 - HA    VAL   24  16.97 +/- 2.42   0.305% *  0.2098% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.11 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.8:
      O T HB    VAL   24 - HA    VAL   24   2.55 +/- 0.29  96.594% * 98.9275% (1.00  10.0 10.00   3.97  62.83) =  99.991%  kept
        T HB2   PRO   68 - HA    VAL   24  20.66 +/- 4.73   0.738% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.007%
          QB    GLN   32 - HA    VAL   24  10.26 +/- 0.71   1.813% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HG3   GLU- 100 - HA    VAL   24  20.72 +/- 2.25   0.216% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  22.50 +/- 3.47   0.348% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  22.86 +/- 5.32   0.292% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 27.0:
        T HB3   TRP   27 - HA    VAL   24   3.74 +/- 0.25  94.198% * 99.7179% (1.00 10.00   3.00  26.96) =  99.997%  kept
          HB2   PHE   97 - HA    VAL   24  18.35 +/- 1.35   0.890% *  0.0991% (0.99  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    VAL   24  16.80 +/- 3.07   1.662% *  0.0448% (0.45  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HA    VAL   24  18.22 +/- 2.71   1.039% *  0.0647% (0.65  1.00   0.02   0.02) =   0.001%
          QE    LYS+  99 - HA    VAL   24  17.92 +/- 1.73   0.985% *  0.0486% (0.49  1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - HA    VAL   24  19.16 +/- 2.58   1.228% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.04, residual support = 62.8:
      O   HN    VAL   24 - HA    VAL   24   2.74 +/- 0.05 100.000% *100.0000% (0.97  10.0   4.04  62.83) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.869, support = 5.77, residual support = 30.5:
      O   HN    GLU-  25 - HA    VAL   24   3.60 +/- 0.03  52.355% * 84.1602% (0.92  10.0   5.64  33.00) =  86.250%  kept
          HN    ASN   28 - HA    VAL   24   3.83 +/- 0.33  44.574% * 15.7536% (0.53   1.0   6.57  14.66) =  13.745%  kept
          HN    ASP-  44 - HA    VAL   24  10.94 +/- 2.67   3.072% *  0.0862% (0.95   1.0   0.02   0.02) =   0.005%
    Distance limit 3.76 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 = 3.05, residual support = 26.9:
          HN    TRP   27 - HA    VAL   24   3.07 +/- 0.14  93.970% * 94.6825% (0.45   3.05  26.96) =  99.931%  kept
          HD1   TRP   87 - HA    VAL   24  12.35 +/- 4.49   2.600% *  1.3739% (0.99   0.02   0.02) =   0.040%
          HN    THR   39 - HA    VAL   24  16.46 +/- 1.11   0.691% *  1.3587% (0.98   0.02   0.02) =   0.011%
          HN    GLU-  36 - HA    VAL   24  15.97 +/- 0.64   0.705% *  1.2024% (0.87   0.02   0.02) =   0.010%
          HN    LYS+ 102 - HA    VAL   24  19.32 +/- 3.41   0.491% *  0.9522% (0.69   0.02   0.02) =   0.005%
          HN    ALA   61 - HA    VAL   24  16.93 +/- 2.63   0.888% *  0.1876% (0.14   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    VAL   24  17.65 +/- 3.49   0.654% *  0.2428% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.23, residual support = 62.8:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  93.953% * 98.9402% (0.98  10.0 10.00   3.23  62.83) =  99.994%  kept
        T QG1   VAL   24 - HB2   PRO   68  19.47 +/- 4.49   0.556% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.004%
          HG13  ILE  119 - HB2   PRO   68  14.38 +/- 3.80   1.196% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL   24  11.73 +/- 0.93   0.623% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  17.60 +/- 3.95   0.972% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  21.49 +/- 4.53   0.194% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.60 +/- 0.90   1.122% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.30 +/- 2.26   0.317% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.13 +/- 2.40   0.185% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  19.01 +/- 2.66   0.165% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.66 +/- 3.72   0.130% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.27 +/- 2.89   0.588% *  0.0081% (0.08   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.18, residual support = 62.8:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.01  96.465% * 99.6470% (1.00  10.0   3.18  62.83) =  99.998%  kept
          HG    LEU   63 - HB2   PRO   68  10.33 +/- 2.34   1.502% *  0.0579% (0.58   1.0   0.02   0.02) =   0.001%
          HG    LEU   63 - HB    VAL   24  18.48 +/- 3.62   0.481% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  18.72 +/- 4.21   0.624% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  21.33 +/- 4.03   0.202% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  19.15 +/- 2.99   0.209% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.30 +/- 2.26   0.328% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.13 +/- 2.40   0.189% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.75, support = 1.88, residual support = 5.28:
          QD2   LEU   80 - HB    VAL   24   4.72 +/- 5.03  39.221% * 47.7092% (0.80   2.07   7.02) =  72.175%  kept
          QD1   LEU   73 - HB    VAL   24   7.31 +/- 2.34  19.881% * 19.0466% (0.41   1.61   1.39) =  14.605%  kept
          QG1   VAL   83 - HB    VAL   24   7.38 +/- 4.90  11.077% * 30.3415% (0.87   1.21   0.12) =  12.963%  kept
          QD1   LEU   63 - HB    VAL   24  15.48 +/- 3.57   9.935% *  0.2371% (0.41   0.02   0.02) =   0.091%
          QD1   LEU  104 - HB2   PRO   68  13.09 +/- 2.87   3.005% *  0.3292% (0.57   0.02   0.02) =   0.038%
          QD1   LEU   73 - HB2   PRO   68  13.83 +/- 2.39   5.519% *  0.1402% (0.24   0.02   0.02) =   0.030%
          QD1   LEU   63 - HB2   PRO   68   8.85 +/- 2.31   4.484% *  0.1402% (0.24   0.02   0.02) =   0.024%
          QD2   LEU  115 - HB    VAL   24  17.61 +/- 2.71   1.050% *  0.4407% (0.76   0.02   0.02) =   0.018%
          QD2   LEU   80 - HB2   PRO   68  17.33 +/- 3.20   1.178% *  0.2732% (0.47   0.02   0.02) =   0.012%
          QD2   LEU  115 - HB2   PRO   68  13.96 +/- 1.94   1.203% *  0.2607% (0.45   0.02   0.02) =   0.012%
          QD1   LEU  104 - HB    VAL   24  18.09 +/- 2.56   0.537% *  0.5565% (0.97   0.02   0.02) =   0.012%
          QG1   VAL   83 - HB2   PRO   68  17.88 +/- 2.45   0.842% *  0.2959% (0.51   0.02   0.02) =   0.010%
          QG2   ILE   89 - HB    VAL   24  11.15 +/- 3.60   1.605% *  0.1438% (0.25   0.02   0.02) =   0.009%
          QG2   ILE   89 - HB2   PRO   68  18.67 +/- 1.62   0.464% *  0.0851% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 1 structures by 0.64 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.871, support = 4.02, residual support = 62.0:
      O T HA    VAL   24 - HB    VAL   24   2.55 +/- 0.29  75.303% * 89.0301% (0.90  10.0 10.00   3.97  62.83) =  96.735%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.98 +/- 0.13  21.968% * 10.2842% (0.10  10.0  1.00   5.47  36.22) =   3.260%  kept
        T HA    VAL   24 - HB2   PRO   68  20.66 +/- 4.73   0.557% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.004%
          HA    LYS+  38 - HB2   PRO   68  15.16 +/- 3.10   1.361% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  38 - HB    VAL   24  19.80 +/- 1.90   0.246% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.71 +/- 3.84   0.565% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.23, residual support = 62.8:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.02  97.201% * 98.6521% (0.92  10.0 10.00   3.23  62.83) =  99.992%  kept
        T HB2   PRO   68 - QG1   VAL   24  19.47 +/- 4.49   0.576% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.006%
          QB    GLN   32 - QG1   VAL   24   9.96 +/- 0.86   1.021% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   52 - QG1   VAL   24  19.59 +/- 5.53   0.329% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  19.13 +/- 1.90   0.147% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  20.25 +/- 4.08   0.271% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  17.55 +/- 2.65   0.233% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  20.01 +/- 5.04   0.221% *  0.0238% (0.22   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 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.382, support = 5.55, residual support = 30.4:
      O   HN    ASN   69 - HB2   PRO   68   3.43 +/- 0.77  43.896% * 43.1442% (0.20  10.0   5.84  31.17) =  55.082%  kept
          HN    GLU-  25 - HB    VAL   24   3.65 +/- 0.64  37.815% * 32.9901% (0.53   1.0   5.87  33.00) =  36.284%  kept
          HN    ASN   28 - HB    VAL   24   5.66 +/- 0.44  12.651% * 23.4167% (0.92   1.0   2.37  14.66) =   8.616%  kept
          HN    ASP-  44 - HB    VAL   24  12.08 +/- 3.10   2.492% *  0.1211% (0.57   1.0   0.02   0.02) =   0.009%
          HN    ASN   28 - HB2   PRO   68  20.35 +/- 4.68   1.353% *  0.1168% (0.55   1.0   0.02   0.02) =   0.005%
          HN    ASP-  44 - HB2   PRO   68  14.62 +/- 1.87   0.819% *  0.0716% (0.33   1.0   0.02   0.02) =   0.002%
          HN    ASN   69 - HB    VAL   24  20.69 +/- 3.57   0.504% *  0.0729% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB2   PRO   68  23.35 +/- 4.98   0.470% *  0.0665% (0.31   1.0   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.38, residual support = 62.8:
      O   HN    VAL   24 - HB    VAL   24   2.52 +/- 0.26  99.406% * 99.9409% (0.38  10.0   4.38  62.83) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  22.49 +/- 4.78   0.594% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.79, residual support = 62.8:
          HN    VAL   24 - QG1   VAL   24   2.07 +/- 0.37 100.000% *100.0000% (0.73   3.79  62.83) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.01 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   3.03 +/- 0.28  84.290% * 88.5015% (0.41  10.0   6.14 127.42) =  97.828%  kept
          HN    ASN   28 - HB2   GLU-  25   5.56 +/- 0.19  14.637% * 11.3055% (0.98   1.0   1.07   3.99) =   2.170%  kept
          HN    ASP-  44 - HB2   GLU-  25  16.47 +/- 2.56   0.684% *  0.0965% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   GLU-  25  22.53 +/- 3.32   0.389% *  0.0965% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.424, support = 5.76, residual support = 124.7:
      O   HN    GLU-  25 - HB3   GLU-  25   2.28 +/- 0.53  90.026% * 82.0120% (0.41  10.0   5.85 127.42) =  97.776%  kept
          HN    ASN   28 - HB3   GLU-  25   5.82 +/- 0.18   9.426% * 17.8091% (0.98   1.0   1.82   3.99) =   2.223%  kept
          HN    ASP-  44 - HB3   GLU-  25  16.39 +/- 2.88   0.316% *  0.0894% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  23.06 +/- 3.29   0.232% *  0.0894% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.22, residual support = 32.2:
          HN    THR   26 - HB3   GLU-  25   3.47 +/- 0.21  99.208% * 98.7360% (0.34   5.22  32.18) =  99.994%  kept
          HN    LEU   71 - HB3   GLU-  25  19.54 +/- 1.24   0.595% *  0.8477% (0.76   0.02   0.02) =   0.005%
          HN    GLU- 114 - HB3   GLU-  25  29.27 +/- 2.86   0.197% *  0.4163% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.93, residual support = 2.87:
          HN    SER   85 - HA    SER   82   3.59 +/- 0.14  76.706% * 86.2844% (0.26   2.96   2.90) =  98.823%  kept
          HN    LEU   80 - HA    SER   82   7.40 +/- 0.35   9.076% *  6.5570% (0.10   0.58   0.30) =   0.889%  kept
          HN    GLN   32 - HA    GLU-  25   9.12 +/- 0.70   5.061% *  2.2498% (1.00   0.02   0.02) =   0.170%  kept
          HN    SER   85 - HA    GLU-  25  15.50 +/- 5.13   1.465% *  1.8015% (0.80   0.02   0.02) =   0.039%
          HN    LEU   80 - HA    GLU-  25  12.27 +/- 4.63   3.439% *  0.6944% (0.31   0.02   0.02) =   0.036%
          HN    ALA   34 - HA    GLU-  25  12.12 +/- 0.73   2.121% *  0.9249% (0.41   0.02   0.02) =   0.029%
          HN    GLN   32 - HA    SER   82  17.80 +/- 4.65   0.847% *  0.7288% (0.32   0.02   0.02) =   0.009%
          HN    ALA   34 - HA    SER   82  20.08 +/- 3.48   0.528% *  0.2996% (0.13   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    GLU-  25  25.16 +/- 4.49   0.361% *  0.3471% (0.15   0.02   0.02) =   0.002%
          HN    CYS   53 - HA    SER   82  22.80 +/- 3.23   0.397% *  0.1124% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.51, residual support = 111.1:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.03  69.358% * 71.8668% (0.41  10.0   5.85 127.42) =  86.812%  kept
          HN    ASN   28 - HA    GLU-  25   3.73 +/- 0.20  27.188% * 27.8469% (0.98   1.0   3.25   3.99) =  13.186%  kept
          HN    ASN   28 - HA    SER   82  14.05 +/- 5.27   0.843% *  0.0555% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HA    GLU-  25  15.03 +/- 2.71   0.528% *  0.0784% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  25 - HA    SER   82  13.43 +/- 6.05   1.248% *  0.0233% (0.13   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HA    GLU-  25  21.71 +/- 3.34   0.230% *  0.0784% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  14.37 +/- 1.03   0.502% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  25.03 +/- 2.58   0.104% *  0.0254% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.349, support = 3.85, residual support = 7.93:
          HN    ALA   84 - HA    SER   82   4.22 +/- 0.13  45.807% * 52.8584% (0.20   5.33  10.28) =  62.670%  kept
          HD21  ASN   28 - HA    GLU-  25   4.66 +/- 0.11  34.125% * 42.0843% (0.61   1.37   3.99) =  37.172%  kept
          HZ2   TRP   87 - HA    GLU-  25  14.14 +/- 5.63   2.842% *  0.4150% (0.41   0.02   0.02) =   0.031%
          HN    ALA   84 - HA    GLU-  25  14.10 +/- 4.98   1.899% *  0.6123% (0.61   0.02   0.02) =   0.030%
          HD21  ASN   28 - HA    SER   82  11.45 +/- 5.43   5.414% *  0.1983% (0.20   0.02   0.02) =   0.028%
          HE21  GLN   32 - HA    GLU-  25  11.03 +/- 2.21   4.033% *  0.2248% (0.22   0.02   0.02) =   0.023%
          HN    LEU   63 - HA    GLU-  25  21.24 +/- 2.80   0.659% *  1.0006% (0.99   0.02   0.02) =   0.017%
          HZ2   TRP   87 - HA    SER   82  10.36 +/- 0.74   3.314% *  0.1344% (0.13   0.02   0.02) =   0.012%
          HN    ILE   56 - HA    GLU-  25  25.78 +/- 3.68   0.289% *  0.9550% (0.95   0.02   0.02) =   0.007%
          HN    LYS+ 111 - HA    GLU-  25  28.19 +/- 3.20   0.182% *  0.6123% (0.61   0.02   0.02) =   0.003%
          HN    LEU   63 - HA    SER   82  23.10 +/- 1.78   0.293% *  0.3241% (0.32   0.02   0.02) =   0.002%
          HN    ILE   56 - HA    SER   82  24.91 +/- 2.98   0.263% *  0.3093% (0.31   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HA    SER   82  23.50 +/- 2.65   0.298% *  0.1983% (0.20   0.02   0.02) =   0.002%
          HE21  GLN   32 - HA    SER   82  20.42 +/- 5.46   0.583% *  0.0728% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.973, support = 1.14, residual support = 3.9:
          HB2   ASN   28 - HA    GLU-  25   3.18 +/- 0.38  73.684% * 80.0780% (0.99   1.15   3.99) =  97.605%  kept
          HB2   ASP-  86 - HA    SER   82   6.52 +/- 0.55  10.894% * 12.4453% (0.24   0.75   0.02) =   2.243%  kept
          QE    LYS+  33 - HA    GLU-  25  11.76 +/- 1.51   1.978% *  1.3993% (1.00   0.02   0.02) =   0.046%
          QE    LYS+  65 - HA    GLU-  25  19.82 +/- 3.52   1.166% *  1.2946% (0.92   0.02   0.02) =   0.025%
          HB2   ASP-  86 - HA    GLU-  25  14.66 +/- 5.64   1.397% *  1.0183% (0.73   0.02   0.02) =   0.024%
          HB2   ASP-  78 - HA    GLU-  25  15.96 +/- 3.50   0.904% *  0.8506% (0.61   0.02   0.02) =   0.013%
          HB2   ASP-  78 - HA    SER   82  10.78 +/- 1.14   2.547% *  0.2755% (0.20   0.02   0.02) =   0.012%
          HB2   ASN   28 - HA    SER   82  14.57 +/- 5.40   1.261% *  0.4503% (0.32   0.02   0.02) =   0.009%
          HB2   ASP-  76 - HA    GLU-  25  13.39 +/- 3.63   1.734% *  0.2775% (0.20   0.02   0.02) =   0.008%
          HB2   ASN   35 - HA    GLU-  25  15.68 +/- 1.15   0.735% *  0.5263% (0.38   0.02   0.02) =   0.006%
          HB2   ASP-  76 - HA    SER   82  11.41 +/- 1.09   2.177% *  0.0899% (0.06   0.02   0.02) =   0.003%
          QE    LYS+  33 - HA    SER   82  20.38 +/- 3.40   0.354% *  0.4533% (0.32   0.02   0.02) =   0.003%
          QE    LYS+  65 - HA    SER   82  22.79 +/- 3.75   0.289% *  0.4194% (0.30   0.02   0.02) =   0.002%
          HB2   ASN   69 - HA    GLU-  25  22.84 +/- 3.68   0.382% *  0.1898% (0.14   0.02   0.02) =   0.001%
          HB2   ASN   35 - HA    SER   82  22.38 +/- 4.44   0.317% *  0.1705% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   69 - HA    SER   82  26.26 +/- 3.59   0.182% *  0.0615% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.32, support = 2.79, residual support = 10.2:
          QB    ALA   84 - HA    SER   82   4.42 +/- 0.13  48.199% * 79.1056% (0.32   2.81  10.28) =  99.207%  kept
          HB3   LEU   80 - HA    SER   82   6.77 +/- 0.91  15.799% *  0.2768% (0.16   0.02   0.30) =   0.114%  kept
          QB    ALA   84 - HA    GLU-  25  13.20 +/- 3.88   2.392% *  1.7398% (0.99   0.02   0.02) =   0.108%  kept
          HB3   LEU   80 - HA    GLU-  25  11.62 +/- 5.06   4.406% *  0.8544% (0.49   0.02   0.02) =   0.098%
          HB2   LEU   31 - HA    GLU-  25   9.05 +/- 0.38   5.788% *  0.5987% (0.34   0.02   0.02) =   0.090%
          HB3   LEU   73 - HA    GLU-  25  11.94 +/- 2.94   3.214% *  0.7216% (0.41   0.02   0.02) =   0.060%
          HG    LEU   98 - HA    GLU-  25  17.83 +/- 3.30   0.924% *  1.6604% (0.95   0.02   0.02) =   0.040%
          HB3   ASP-  44 - HA    GLU-  25  17.14 +/- 2.96   1.133% *  1.2746% (0.73   0.02   0.02) =   0.038%
          HG3   LYS+  33 - HA    GLU-  25  12.07 +/- 1.15   2.565% *  0.4880% (0.28   0.02   0.02) =   0.033%
          HB2   LEU   63 - HA    GLU-  25  20.91 +/- 3.14   0.886% *  1.0646% (0.61   0.02   0.02) =   0.025%
          HB3   PRO   93 - HA    GLU-  25  22.15 +/- 3.22   0.472% *  1.7514% (1.00   0.02   0.02) =   0.022%
          HG    LEU   98 - HA    SER   82  17.55 +/- 3.02   1.264% *  0.5379% (0.31   0.02   0.02) =   0.018%
          HB    VAL   42 - HA    GLU-  25  16.89 +/- 1.78   0.937% *  0.5987% (0.34   0.02   0.02) =   0.015%
          QB    ALA  124 - HA    GLU-  25  28.01 +/- 4.72   0.361% *  1.5226% (0.87   0.02   0.02) =   0.014%
          HG3   LYS+ 106 - HA    GLU-  25  21.57 +/- 3.01   0.474% *  1.1355% (0.65   0.02   0.02) =   0.014%
          HG3   LYS+  65 - HA    GLU-  25  21.40 +/- 3.37   0.884% *  0.5987% (0.34   0.02   0.02) =   0.014%
          HG3   LYS+ 102 - HA    GLU-  25  21.50 +/- 4.75   0.598% *  0.7870% (0.45   0.02   0.02) =   0.012%
          HB3   PRO   93 - HA    SER   82  17.78 +/- 1.54   0.777% *  0.5673% (0.32   0.02   0.02) =   0.011%
          HB3   ASP-  44 - HA    SER   82  16.32 +/- 1.30   1.058% *  0.4129% (0.24   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HA    SER   82  17.92 +/- 2.35   0.886% *  0.3678% (0.21   0.02   0.02) =   0.008%
          HB2   LEU   31 - HA    SER   82  16.00 +/- 4.55   1.429% *  0.1940% (0.11   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - HA    GLU-  25  26.61 +/- 3.77   0.296% *  0.9235% (0.53   0.02   0.02) =   0.007%
          HG3   LYS+ 102 - HA    SER   82  20.24 +/- 3.74   1.027% *  0.2549% (0.15   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    SER   82  16.64 +/- 2.10   1.056% *  0.2338% (0.13   0.02   0.02) =   0.006%
          HB    VAL   42 - HA    SER   82  18.42 +/- 1.72   0.782% *  0.1940% (0.11   0.02   0.02) =   0.004%
          HB2   LEU   63 - HA    SER   82  22.47 +/- 2.21   0.404% *  0.3449% (0.20   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HA    GLU-  25  28.94 +/- 4.01   0.254% *  0.4880% (0.28   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    SER   82  23.60 +/- 2.33   0.344% *  0.2992% (0.17   0.02   0.02) =   0.003%
          QB    ALA  124 - HA    SER   82  29.11 +/- 2.66   0.186% *  0.4932% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HA    SER   82  21.32 +/- 3.70   0.518% *  0.1581% (0.09   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    SER   82  24.42 +/- 3.43   0.348% *  0.1940% (0.11   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  24.44 +/- 2.92   0.336% *  0.1581% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.72 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.556, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    GLU-  25  20.14 +/- 3.11   9.620% * 22.9376% (0.92   0.02   0.02) =  23.008%  kept
          QG2   VAL  108 - HA    SER   82  15.20 +/- 3.18  23.905% *  7.4304% (0.30   0.02   0.02) =  18.521%  kept
          HB2   LEU  104 - HA    GLU-  25  21.92 +/- 2.39   7.899% * 19.8967% (0.80   0.02   0.02) =  16.388%  kept
          QD1   ILE  119 - HA    GLU-  25  21.23 +/- 3.42   9.146% * 12.0948% (0.49   0.02   0.02) =  11.534%  kept
          HG3   LYS+ 112 - HA    GLU-  25  25.27 +/- 3.63   5.860% * 15.0711% (0.61   0.02   0.02) =   9.210%  kept
          HB2   LEU  104 - HA    SER   82  21.15 +/- 2.67   9.778% *  6.4453% (0.26   0.02   0.02) =   6.571%  kept
          HG    LEU   63 - HA    GLU-  25  20.98 +/- 3.29  10.622% *  5.5320% (0.22   0.02   0.02) =   6.127%  kept
          HG3   LYS+ 112 - HA    SER   82  21.90 +/- 2.28   7.546% *  4.8821% (0.20   0.02   0.02) =   3.841%  kept
          QD1   ILE  119 - HA    SER   82  21.33 +/- 2.24   8.478% *  3.9180% (0.16   0.02   0.02) =   3.464%  kept
          HG    LEU   63 - HA    SER   82  22.72 +/- 2.64   7.147% *  1.7920% (0.07   0.02   0.02) =   1.335%  kept
    Distance limit 4.00 A violated in 20 structures by 8.48 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.285, support = 3.27, residual support = 23.7:
          HB2   GLU-  25 - HA    THR   26   4.09 +/- 0.19  32.821% * 78.8483% (0.31   4.07  32.18) =  73.008%  kept
          HB2   GLU-  29 - HA    THR   26   3.13 +/- 0.75  62.135% * 15.3379% (0.22   1.10   0.69) =  26.886%  kept
          QG    GLN   17 - HA    THR   26  14.29 +/- 2.31   2.530% *  0.5159% (0.41   0.02   0.02) =   0.037%
          HB3   ASP-  76 - HA    THR   26  14.27 +/- 3.50   1.011% *  1.1254% (0.90   0.02   0.02) =   0.032%
          HB2   MET   96 - HA    THR   26  17.65 +/- 3.17   0.456% *  1.1254% (0.90   0.02   0.02) =   0.014%
          HG2   GLU- 100 - HA    THR   26  20.56 +/- 3.33   0.278% *  1.1871% (0.95   0.02   0.02) =   0.009%
          HB    VAL   70 - HA    THR   26  17.19 +/- 1.49   0.433% *  0.6108% (0.49   0.02   0.02) =   0.007%
          HB2   ASP- 105 - HA    THR   26  23.46 +/- 1.14   0.171% *  0.8620% (0.69   0.02   0.02) =   0.004%
          HG3   MET   92 - HA    THR   26  24.22 +/- 3.18   0.164% *  0.3873% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.94, residual support = 34.7:
      O   HN    THR   26 - HA    THR   26   2.88 +/- 0.02  99.229% * 99.6670% (0.34  10.0   4.94  34.69) =  99.998%  kept
          HN    LEU   71 - HA    THR   26  15.80 +/- 1.43   0.654% *  0.2233% (0.76   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    THR   26  28.24 +/- 2.48   0.116% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.571, support = 1.27, residual support = 3.82:
          HN    GLN   30 - HA    THR   26   4.29 +/- 0.41  31.338% * 81.2237% (0.69   1.45   4.88) =  74.789%  kept
          HN    GLU-  29 - HA    THR   26   3.30 +/- 0.16  63.649% * 13.3614% (0.22   0.74   0.69) =  24.988%  kept
          HN    GLU-  14 - HA    THR   26  15.50 +/- 4.11   3.864% *  1.5993% (0.98   0.02   0.02) =   0.182%  kept
          HN    ASP-  86 - HA    THR   26  18.17 +/- 4.95   0.535% *  0.9896% (0.61   0.02   0.02) =   0.016%
          HN    LYS+  99 - HA    THR   26  19.47 +/- 2.82   0.357% *  1.3628% (0.84   0.02   0.02) =   0.014%
          HE1   HIS  122 - HA    THR   26  23.33 +/- 4.21   0.257% *  1.4632% (0.90   0.02   0.02) =   0.011%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.446, support = 1.96, residual support = 11.5:
          HN    THR   23 - HB    THR   26   3.82 +/- 0.17  72.146% * 68.1854% (0.38   2.18  13.04) =  88.309%  kept
          HD2   HIS   22 - HB    THR   26   6.64 +/- 1.53  23.792% * 27.1669% (0.99   0.33   0.02) =  11.603%  kept
          HD1   TRP   49 - HB    THR   26  21.67 +/- 5.28   1.167% *  1.6550% (0.99   0.02   0.02) =   0.035%
          HD21  ASN   35 - HB    THR   26  15.73 +/- 1.33   1.143% *  1.1470% (0.69   0.02   0.02) =   0.024%
          HN    LEU   67 - HB    THR   26  17.62 +/- 2.03   0.937% *  1.2761% (0.76   0.02   0.02) =   0.021%
          QE    PHE   95 - HB    THR   26  18.59 +/- 2.47   0.816% *  0.5696% (0.34   0.02   0.02) =   0.008%
    Distance limit 3.74 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.45, residual support = 22.6:
          HN    TRP   27 - HB    THR   26   2.83 +/- 0.18  96.555% * 98.0845% (0.84   4.45  22.65) =  99.989%  kept
          HD1   TRP   87 - HB    THR   26  16.93 +/- 4.58   0.656% *  0.4574% (0.87   0.02   0.02) =   0.003%
          HN    THR   39 - HB    THR   26  15.89 +/- 1.28   0.597% *  0.4729% (0.90   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB    THR   26  14.91 +/- 0.92   0.699% *  0.2567% (0.49   0.02   0.02) =   0.002%
          HN    ALA   61 - HB    THR   26  18.03 +/- 2.47   0.478% *  0.2168% (0.41   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   26  22.03 +/- 3.43   0.235% *  0.2567% (0.49   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB    THR   26  21.37 +/- 3.94   0.287% *  0.1628% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  19.39 +/- 4.66   0.490% *  0.0923% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 34.7:
      O   HN    THR   26 - HB    THR   26   2.24 +/- 0.15  99.675% * 99.9615% (0.80  10.0   4.16  34.69) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  15.52 +/- 0.96   0.325% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.543, support = 0.577, residual support = 1.23:
          HA    ALA   20 - QG2   THR   26   5.86 +/- 0.68  27.150% * 72.0522% (0.87   0.43   0.12) =  53.116%  kept
          HA    CYS   21 - QG2   THR   26   3.52 +/- 1.26  67.262% * 25.5988% (0.18   0.75   2.50) =  46.752%  kept
          HA    LEU   71 - QG2   THR   26  10.89 +/- 1.52   4.259% *  0.6014% (0.15   0.02   0.02) =   0.070%
          HA    LYS+ 102 - QG2   THR   26  17.17 +/- 3.50   1.329% *  1.7475% (0.45   0.02   0.02) =   0.063%
    Distance limit 3.50 A violated in 1 structures by 0.34 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.85, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  10.83 +/- 2.68  32.275% * 18.7520% (0.92   0.02   0.02) =  42.210%  kept
          HG2   MET   11 - QG2   THR   26  13.32 +/- 4.82  24.131% * 19.2160% (0.95   0.02   0.02) =  32.340%  kept
          HB2   PRO   93 - QG2   THR   26  18.25 +/- 2.80   7.318% * 12.3210% (0.61   0.02   0.02) =   6.288%  kept
          HG2   PRO   58 - QG2   THR   26  19.83 +/- 2.88   5.086% * 17.6208% (0.87   0.02   0.02) =   6.251%  kept
          HG3   PRO   52 - QG2   THR   26  21.85 +/- 3.78   4.249% * 17.6208% (0.87   0.02   0.02) =   5.222%  kept
          HB2   PRO   68 - QG2   THR   26  16.19 +/- 4.10  17.027% *  3.1343% (0.15   0.02   0.02) =   3.722%  kept
          HB2   ARG+  54 - QG2   THR   26  19.97 +/- 2.99   5.534% *  6.2698% (0.31   0.02   0.02) =   2.420%  kept
          HB    VAL  108 - QG2   THR   26  21.58 +/- 1.56   4.379% *  5.0653% (0.25   0.02   0.02) =   1.547%  kept
    Distance limit 3.49 A violated in 18 structures by 5.18 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.748, residual support = 4.86:
        T HG2   GLN   30 - QG2   THR   26   3.02 +/- 0.62  88.320% * 96.7961% (0.99 10.00   0.75   4.88) =  99.688%  kept
          HB3   ASN   28 - QG2   THR   26   7.21 +/- 0.28   8.928% *  2.9735% (0.97  1.00   0.24   0.48) =   0.310%  kept
          HB3   HIS  122 - QG2   THR   26  19.81 +/- 4.28   2.185% *  0.0724% (0.28  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 121 - QG2   THR   26  20.08 +/- 2.92   0.567% *  0.1580% (0.61  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.939, support = 3.68, residual support = 17.6:
          QD1   LEU   73 - HB3   TRP   27   3.05 +/- 2.42  51.347% * 51.8000% (1.00   3.69  21.30) =  69.797%  kept
          QD2   LEU   80 - HB3   TRP   27   5.52 +/- 4.65  25.875% * 42.6340% (0.80   3.79   9.37) =  28.949%  kept
          QD1   LEU   63 - HB3   TRP   27  12.03 +/- 3.20  12.582% *  2.7725% (1.00   0.20   0.02) =   0.915%  kept
          QG1   VAL   83 - HB3   TRP   27   8.00 +/- 4.32   5.399% *  2.2407% (0.18   0.91   0.68) =   0.317%  kept
          QD2   LEU   63 - HB3   TRP   27  11.43 +/- 2.78   4.188% *  0.1591% (0.57   0.02   0.02) =   0.017%
          QD1   LEU  104 - HB3   TRP   27  14.98 +/- 2.23   0.425% *  0.1591% (0.57   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB3   TRP   27  15.49 +/- 2.16   0.184% *  0.2347% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.58 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 = 27.0:
        T HA    VAL   24 - HB3   TRP   27   3.74 +/- 0.25  91.557% * 98.5200% (0.76 10.00   3.00  26.96) =  99.973%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.20 +/- 1.45   1.625% *  1.2636% (0.98 10.00   0.02   0.02) =   0.023%
        T HA    GLU- 100 - HB3   TRP   27  16.78 +/- 3.10   1.311% *  0.1989% (0.15 10.00   0.02   0.02) =   0.003%
          HA    VAL   83 - HB3   TRP   27  11.97 +/- 4.93   5.506% *  0.0174% (0.14  1.00   0.02   0.68) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 27.0:
          HA    VAL   24 - HB2   TRP   27   2.18 +/- 0.25  98.508% * 99.1878% (0.97   3.00  26.96) =  99.997%  kept
          HA    LYS+  38 - HB2   TRP   27  16.18 +/- 1.39   0.302% *  0.5487% (0.80   0.02   0.02) =   0.002%
          HD2   PRO   68 - HB2   TRP   27  17.42 +/- 3.09   0.452% *  0.1709% (0.25   0.02   0.02) =   0.001%
          HA    ALA   61 - HB2   TRP   27  14.14 +/- 2.26   0.738% *  0.0927% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.936, support = 3.66, residual support = 14.4:
          QD2   LEU   80 - HB2   TRP   27   5.16 +/- 4.94  40.460% * 47.0833% (0.98   3.64   9.37) =  54.624%  kept
          QD1   LEU   73 - HB2   TRP   27   4.10 +/- 2.56  33.847% * 44.9390% (0.90   3.80  21.30) =  43.616%  kept
          QG1   VAL   83 - HB2   TRP   27   7.82 +/- 4.64   7.676% *  5.0784% (0.38   1.03   0.68) =   1.118%  kept
          QD1   LEU   63 - HB2   TRP   27  13.23 +/- 3.37   9.241% *  2.3358% (0.90   0.20   0.02) =   0.619%  kept
          QD2   LEU   63 - HB2   TRP   27  12.64 +/- 3.00   8.036% *  0.0815% (0.31   0.02   0.02) =   0.019%
          QD1   LEU  104 - HB2   TRP   27  15.91 +/- 2.33   0.520% *  0.2204% (0.84   0.02   0.02) =   0.003%
          QD2   LEU  115 - HB2   TRP   27  16.44 +/- 2.33   0.220% *  0.2616% (0.99   0.02   0.02) =   0.002%
    Distance limit 3.77 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 = 3.1, residual support = 19.2:
          QD1   LEU   31 - HA    ASN   28   3.22 +/- 0.83 100.000% *100.0000% (0.76   3.10  19.20) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.15, residual support = 91.8:
      O T HA    GLU-  29 - HG3   GLU-  29   3.58 +/- 0.32  83.112% * 97.0747% (0.22  10.0 10.00   5.16  91.92) =  99.846%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.08 +/- 1.56   7.044% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.130%  kept
          HB2   SER   37 - HG3   GLU-  29  14.24 +/- 2.14   1.803% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.009%
          HA1   GLY   16 - HG3   GLU-  29  18.43 +/- 3.13   1.590% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.006%
          HA    VAL   18 - HG3   GLU-  29  15.07 +/- 2.59   3.885% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HA    VAL   70 - HG3   GLU-  29  18.37 +/- 1.83   0.710% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HG3   GLU-  29  16.23 +/- 5.59   1.617% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HG3   GLU-  29  28.44 +/- 3.50   0.238% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 100.8:
      O   HD1   TRP   27 - HB2   TRP   27   2.72 +/- 0.11  92.393% * 99.7286% (0.98  10.0   3.65 100.77) =  99.992%  kept
          HE21  GLN   30 - HB2   TRP   27   7.79 +/- 1.20   6.605% *  0.0939% (0.92   1.0   0.02   0.02) =   0.007%
          QD    PHE   59 - HB2   TRP   27  16.62 +/- 2.78   0.697% *  0.0997% (0.98   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   TRP   27  22.28 +/- 4.23   0.305% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.37, residual support = 100.8:
      O   HN    TRP   27 - HB2   TRP   27   2.05 +/- 0.05  97.520% * 99.5184% (0.76  10.0   5.37 100.77) =  99.998%  kept
          HD1   TRP   87 - HB2   TRP   27  12.73 +/- 4.56   0.739% *  0.1202% (0.92   1.0   0.02   5.71) =   0.001%
          HN    THR   39 - HB2   TRP   27  14.67 +/- 0.91   0.276% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.37 +/- 0.62   0.289% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  15.87 +/- 2.50   0.303% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  18.18 +/- 3.56   0.195% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  15.23 +/- 4.62   0.512% *  0.0176% (0.14   1.0   0.02   5.71) =   0.000%
          HN    ALA   91 - HB2   TRP   27  18.24 +/- 3.29   0.165% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.908, support = 5.23, residual support = 46.2:
          HN    ASN   28 - HB2   TRP   27   3.22 +/- 0.26  73.508% * 93.1732% (0.92   5.29  47.09) =  98.034%  kept
          HN    GLU-  25 - HB2   TRP   27   4.98 +/- 0.30  21.184% *  6.4545% (0.15   2.19   0.66) =   1.957%  kept
          HN    ASN   69 - HB2   TRP   27  17.19 +/- 2.87   1.026% *  0.3055% (0.80   0.02   0.02) =   0.004%
          HN    ASP-  44 - HB2   TRP   27  10.07 +/- 2.75   4.282% *  0.0668% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.57 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 = 98.4:
      O   HE3   TRP   27 - HB3   TRP   27   2.59 +/- 0.16  81.842% * 86.4594% (0.76  10.0   4.50 100.77) =  97.618%  kept
          HN    THR   23 - HB3   TRP   27   5.11 +/- 0.55  13.071% * 13.1925% (0.98   1.0   2.38   1.28) =   2.379%  kept
          HD2   HIS   22 - HB3   TRP   27   8.81 +/- 1.20   3.154% *  0.0252% (0.22   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   TRP   27  14.56 +/- 2.36   0.575% *  0.1121% (0.99   1.0   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   TRP   27  14.36 +/- 1.91   0.586% *  0.0777% (0.69   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB3   TRP   27  18.91 +/- 4.42   0.551% *  0.0386% (0.34   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  20.08 +/- 2.91   0.220% *  0.0945% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 100.7:
      O   HD1   TRP   27 - HB3   TRP   27   3.80 +/- 0.08  74.766% * 99.7286% (0.98  10.0   4.08 100.77) =  99.968%  kept
          HE21  GLN   30 - HB3   TRP   27   6.62 +/- 1.28  22.469% *  0.0939% (0.92   1.0   0.02   0.02) =   0.028%
          QD    PHE   59 - HB3   TRP   27  15.47 +/- 2.66   2.031% *  0.0997% (0.98   1.0   0.02   0.02) =   0.003%
          HH2   TRP   49 - HB3   TRP   27  21.57 +/- 3.95   0.734% *  0.0778% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 4.01 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 = 100.8:
      O   HN    TRP   27 - HB3   TRP   27   3.13 +/- 0.16  90.746% * 99.5184% (0.76  10.0   5.64 100.77) =  99.992%  kept
          HD1   TRP   87 - HB3   TRP   27  12.64 +/- 4.35   2.331% *  0.1202% (0.92   1.0   0.02   5.71) =   0.003%
          HN    THR   39 - HB3   TRP   27  13.56 +/- 1.09   1.293% *  0.1232% (0.95   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   TRP   27  13.72 +/- 0.90   1.223% *  0.0737% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   TRP   27  14.60 +/- 2.23   1.391% *  0.0444% (0.34   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   TRP   27  17.34 +/- 3.36   0.708% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  14.89 +/- 4.46   1.759% *  0.0176% (0.14   1.0   0.02   5.71) =   0.000%
          HN    ALA   91 - HB3   TRP   27  18.04 +/- 3.09   0.549% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 47.1:
          HN    ASN   28 - HB3   TRP   27   4.23 +/- 0.11  95.855% * 99.4709% (0.65   5.76  47.09) =  99.977%  kept
          HN    ASN   69 - HB3   TRP   27  15.67 +/- 2.72   4.145% *  0.5291% (0.99   0.02   0.02) =   0.023%
    Distance limit 3.80 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 4.34, residual support = 19.2:
          HN    LEU   31 - HA    ASN   28   3.38 +/- 0.17  95.199% * 95.9501% (0.22   4.34  19.20) =  99.945%  kept
          HN    LYS+  38 - HA    ASN   28  12.97 +/- 1.01   1.804% *  1.9460% (0.98   0.02   0.02) =   0.038%
          HN    SER   37 - HA    ASN   28  12.39 +/- 0.61   1.991% *  0.3477% (0.18   0.02   0.02) =   0.008%
          HN    ARG+  54 - HA    ASN   28  24.02 +/- 3.06   0.408% *  1.2042% (0.61   0.02   0.02) =   0.005%
          HN    ASP-  62 - HA    ASN   28  19.39 +/- 2.28   0.598% *  0.5520% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.09 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 = 0.185, support = 6.72, residual support = 18.5:
          HN    GLN   30 - HA    ASN   28   3.91 +/- 0.15  82.153% * 80.2802% (0.18   6.84  18.90) =  98.099%  kept
          HN    GLU-  14 - HA    ASN   28  18.22 +/- 4.38   7.113% * 17.0233% (0.73   0.35   0.02) =   1.801%  kept
          HN    LYS+  99 - HA    ASN   28  14.41 +/- 3.01   2.176% *  1.2365% (0.92   0.02   0.02) =   0.040%
          HN    ASN   35 - HA    ASN   28   9.39 +/- 0.79   6.869% *  0.2982% (0.22   0.02   0.02) =   0.030%
          HE1   HIS  122 - HA    ASN   28  20.30 +/- 5.12   1.689% *  1.1619% (0.87   0.02   0.02) =   0.029%
    Distance limit 4.01 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 = 6.28, residual support = 94.5:
      O   HN    ASN   28 - HB2   ASN   28   2.43 +/- 0.16  98.661% * 99.7686% (0.65  10.0   6.28  94.53) =  99.999%  kept
          HN    ASN   69 - HB2   ASN   28  20.11 +/- 3.20   0.284% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   35  13.17 +/- 1.01   0.686% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.32 +/- 2.54   0.369% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.55, residual support = 94.5:
      O   HD22  ASN   28 - HB3   ASN   28   3.34 +/- 0.10  98.374% * 99.9746% (0.98  10.0   3.55  94.53) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  13.96 +/- 1.53   1.626% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.868, support = 3.48, residual support = 94.3:
      O   HD21  ASN   28 - HB3   ASN   28   4.03 +/- 0.05  85.844% * 98.3845% (0.87  10.0   3.49  94.53) =  99.795%  kept
          HZ2   TRP   87 - HB3   ASN   28  12.13 +/- 6.19  11.536% *  1.4894% (0.98   1.0   0.27   0.02) =   0.203%  kept
          QE    PHE   60 - HB3   ASN   28  17.38 +/- 2.67   1.395% *  0.0779% (0.69   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HB3   ASN   28  20.76 +/- 2.40   0.851% *  0.0283% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.01 +/- 2.70   0.375% *  0.0199% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.49 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 5.39, residual support = 27.5:
          HN    GLU-  29 - HB3   ASN   28   3.29 +/- 0.24  66.809% * 35.3850% (0.45   5.78  32.17) =  66.425%  kept
          HN    GLN   30 - HB3   ASN   28   5.01 +/- 0.17  19.105% * 60.2126% (0.92   4.78  18.90) =  32.322%  kept
          HN    GLU-  14 - HB3   ASN   28  19.42 +/- 5.01  11.489% *  3.8346% (0.80   0.35   0.02) =   1.238%  kept
          HN    ASP-  86 - HB3   ASN   28  14.52 +/- 5.24   1.441% *  0.2367% (0.87   0.02   0.02) =   0.010%
          HN    LYS+  99 - HB3   ASN   28  16.14 +/- 3.25   0.730% *  0.1545% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB3   ASN   28  22.60 +/- 5.18   0.427% *  0.1765% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.01, residual support = 94.5:
      O   HN    ASN   28 - HB3   ASN   28   3.53 +/- 0.01  85.787% * 99.8777% (0.92  10.0   6.01  94.53) =  99.997%  kept
          HN    GLU-  25 - HB3   ASN   28   6.90 +/- 0.30  11.747% *  0.0167% (0.15   1.0   0.02   3.99) =   0.002%
          HN    ASN   69 - HB3   ASN   28  20.13 +/- 3.28   0.828% *  0.0866% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  14.22 +/- 2.55   1.637% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.376, support = 4.59, residual support = 18.8:
          HN    GLN   30 - HB2   ASN   28   4.52 +/- 0.20  65.624% * 95.1819% (0.38   4.61  18.90) =  99.648%  kept
          HN    GLU-  14 - HB2   ASN   28  18.64 +/- 4.87  14.408% *  1.0411% (0.95   0.02   0.02) =   0.239%  kept
          HN    LYS+  99 - HB2   ASN   35  11.80 +/- 2.84   5.656% *  0.3416% (0.31   0.02   0.02) =   0.031%
          HN    LYS+  99 - HB2   ASN   28  17.21 +/- 3.03   1.478% *  1.0981% (1.00   0.02   0.02) =   0.026%
          HN    ASP-  86 - HB2   ASN   28  15.03 +/- 5.19   2.948% *  0.3397% (0.31   0.02   0.02) =   0.016%
          HE1   HIS  122 - HB2   ASN   28  22.90 +/- 4.83   0.726% *  1.0981% (1.00   0.02   0.02) =   0.013%
          HN    GLN   30 - HB2   ASN   35  10.58 +/- 0.83   5.460% *  0.1285% (0.12   0.02   0.02) =   0.011%
          HN    GLU-  14 - HB2   ASN   35  18.47 +/- 4.61   1.796% *  0.3238% (0.29   0.02   0.02) =   0.009%
          HE1   HIS  122 - HB2   ASN   35  21.10 +/- 6.00   1.075% *  0.3416% (0.31   0.02   0.02) =   0.006%
          HN    ASP-  86 - HB2   ASN   35  21.11 +/- 3.95   0.829% *  0.1057% (0.10   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 1.18 A, kept.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.85, residual support = 94.4:
      O   HD21  ASN   28 - HB2   ASN   28   3.95 +/- 0.07  85.894% * 98.0004% (0.61  10.0   3.86  94.53) =  99.842%  kept
          HZ2   TRP   87 - HB2   ASN   28  12.80 +/- 6.01   7.438% *  1.7333% (0.80   1.0   0.27   0.02) =   0.153%  kept
          QE    PHE   60 - HB2   ASN   28  17.02 +/- 2.82   1.481% *  0.1492% (0.92   1.0   0.02   0.02) =   0.003%
          HZ2   TRP   87 - HB2   ASN   35  16.24 +/- 5.06   2.252% *  0.0402% (0.25   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - HB2   ASN   35  14.24 +/- 1.39   2.049% *  0.0305% (0.19   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   35  19.81 +/- 3.15   0.887% *  0.0464% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.487, support = 6.45, residual support = 26.4:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.03  61.103% * 97.0204% (0.49  10.0   6.48  26.55) =  99.569%  kept
          HN    GLU-  14 - HA    GLU-  29  16.80 +/- 5.00  12.758% *  1.5471% (0.99   1.0   0.16   0.02) =   0.332%  kept
          HN    GLN   30 - HA    GLN   32   6.79 +/- 0.21   8.421% *  0.6004% (0.11   1.0   0.55   1.74) =   0.085%
          HN    GLU-  14 - HA    LYS+  33  15.01 +/- 4.57   3.590% *  0.0542% (0.27   1.0   0.02   0.02) =   0.003%
          HN    GLN   30 - HA    LYS+  33   7.45 +/- 0.54   6.704% *  0.0266% (0.13   1.0   0.02   0.47) =   0.003%
          HN    LYS+  99 - HA    GLU-  29  16.53 +/- 3.29   0.742% *  0.1924% (0.96   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  12.76 +/- 3.40   1.858% *  0.0431% (0.22   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLU-  29  22.97 +/- 4.92   0.302% *  0.1976% (0.99   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    GLN   32  18.02 +/- 4.73   1.202% *  0.0442% (0.22   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  17.95 +/- 4.75   0.631% *  0.0819% (0.41   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    LYS+  33  14.86 +/- 2.43   0.932% *  0.0528% (0.26   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  21.92 +/- 5.41   0.439% *  0.0542% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  21.27 +/- 5.60   0.441% *  0.0442% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.36 +/- 4.38   0.570% *  0.0184% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.59 +/- 3.33   0.305% *  0.0225% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.523, support = 5.66, residual support = 76.8:
      O   HN    GLU-  29 - HB2   GLU-  29   2.47 +/- 0.45  68.902% * 57.9283% (0.41  10.0   5.38  91.92) =  76.920%  kept
          HN    GLN   30 - HB2   GLU-  29   3.43 +/- 0.41  28.746% * 41.6541% (0.90   1.0   6.59  26.55) =  23.075%  kept
          HN    GLU-  14 - HB2   GLU-  29  15.83 +/- 4.41   1.692% *  0.1177% (0.84   1.0   0.02   0.02) =   0.004%
          HN    ASP-  86 - HB2   GLU-  29  18.80 +/- 4.63   0.251% *  0.1177% (0.84   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLU-  29  18.37 +/- 2.98   0.270% *  0.0855% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  23.50 +/- 4.83   0.139% *  0.0968% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.543, support = 5.04, residual support = 74.0:
      O   HN    GLU-  29 - HB3   GLU-  29   3.32 +/- 0.43  49.228% * 62.7780% (0.41  10.0   4.96  91.92) =  72.671%  kept
          HN    GLN   30 - HB3   GLU-  29   3.88 +/- 0.26  32.118% * 36.0368% (0.90   1.0   5.26  26.55) =  27.217%  kept
          HN    GLU-  14 - HB3   GLU-  29  15.44 +/- 4.63   6.432% *  0.6580% (0.84   1.0   0.10   0.02) =   0.100%
          HN    GLU-  14 - QB    GLU-  36  13.43 +/- 4.52   5.510% *  0.0395% (0.26   1.0   0.02   0.02) =   0.005%
          HN    GLN   30 - QB    GLU-  36   9.33 +/- 0.61   2.418% *  0.0424% (0.28   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB3   GLU-  29  19.52 +/- 4.77   0.316% *  0.1275% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLU-  29 - QB    GLU-  36  10.57 +/- 0.83   1.717% *  0.0194% (0.13   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   GLU-  29  18.34 +/- 3.18   0.359% *  0.0926% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - QB    GLU-  36  13.85 +/- 1.87   0.861% *  0.0287% (0.19   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   GLU-  29  23.80 +/- 4.74   0.235% *  0.1049% (0.69   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    GLU-  36  20.26 +/- 5.14   0.590% *  0.0325% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  21.34 +/- 2.37   0.215% *  0.0395% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.925, support = 4.4, residual support = 91.5:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.89 +/- 0.11  35.016% * 95.1378% (0.99  10.0 10.00   4.41  91.92) =  93.068%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.38 +/- 0.15  61.527% *  4.0244% (0.04  10.0 10.00   4.28  86.37) =   6.918%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.83 +/- 1.68   1.127% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   GLU-  36 - HB3   GLU-  29  10.85 +/- 2.26   1.035% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HB3   GLU-  29  18.40 +/- 5.38   0.220% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - HB3   GLU-  29  20.68 +/- 3.03   0.113% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  23.47 +/- 2.67   0.089% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  23.72 +/- 3.05   0.074% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  19.68 +/- 2.98   0.131% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  19.55 +/- 3.27   0.131% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  22.03 +/- 2.17   0.090% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.96 +/- 1.28   0.083% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  23.17 +/- 2.93   0.080% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  18.26 +/- 1.82   0.151% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.75 +/- 1.14   0.057% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.97 +/- 1.68   0.077% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.466, residual support = 0.464:
          QD    LYS+  33 - HA    GLN   30   3.32 +/- 0.75  88.526% * 87.7910% (0.95   0.47   0.47) =  99.653%  kept
          HB3   LEU  123 - HA    GLN   30  26.72 +/- 6.65   3.947% *  3.7553% (0.95   0.02   0.02) =   0.190%  kept
          HD2   LYS+  74 - HA    GLN   30  13.78 +/- 3.24   6.302% *  1.4899% (0.38   0.02   0.02) =   0.120%  kept
          QB    ALA   57 - HA    GLN   30  19.30 +/- 2.33   0.681% *  2.7269% (0.69   0.02   0.02) =   0.024%
          HD3   LYS+ 111 - HA    GLN   30  29.82 +/- 3.18   0.182% *  2.8827% (0.73   0.02   0.02) =   0.007%
          HG3   ARG+  54 - HA    GLN   30  25.95 +/- 4.00   0.362% *  1.3541% (0.34   0.02   0.02) =   0.006%
    Distance limit 3.82 A violated in 0 structures by 0.09 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.533, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HA    GLN   30  21.66 +/- 5.36  15.146% * 48.0646% (0.90   0.02   0.02) =  45.583%  kept
          QD1   LEU   71 - HA    GLN   30   9.41 +/- 2.89  57.342% *  8.2693% (0.15   0.02   0.02) =  29.691%  kept
          HB3   LEU  104 - HA    GLN   30  18.55 +/- 2.77   9.870% * 22.0331% (0.41   0.02   0.02) =  13.617%  kept
          QD1   LEU  123 - HA    GLN   30  20.50 +/- 4.61  11.455% *  8.2693% (0.15   0.02   0.02) =   5.931%  kept
          HG3   LYS+ 121 - HA    GLN   30  24.57 +/- 4.89   6.187% * 13.3638% (0.25   0.02   0.02) =   5.177%  kept
    Distance limit 4.03 A violated in 18 structures by 4.95 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.972, support = 6.37, residual support = 156.5:
      O   HN    GLN   30 - HA    GLN   30   2.82 +/- 0.02  81.754% * 88.3462% (0.98  10.0   6.41 159.18) =  97.952%  kept
          HN    GLU-  29 - HA    GLN   30   5.17 +/- 0.07  13.196% * 11.4188% (0.57   1.0   4.48  26.55) =   2.043%  kept
          HN    GLU-  14 - HA    GLN   30  13.19 +/- 3.77   3.614% *  0.0619% (0.69   1.0   0.02   0.02) =   0.003%
          HN    ASP-  86 - HA    GLN   30  18.97 +/- 4.14   0.338% *  0.0853% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  15.25 +/- 2.95   0.633% *  0.0404% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  20.11 +/- 4.68   0.465% *  0.0474% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.973, support = 6.34, residual support = 156.9:
      O   HN    GLN   30 - HB2   GLN   30   3.02 +/- 0.64  82.054% * 89.6649% (0.98  10.0   6.38 159.18) =  98.252%  kept
          HN    GLU-  29 - HB2   GLN   30   5.62 +/- 0.78  12.933% * 10.0966% (0.57   1.0   3.90  26.55) =   1.744%  kept
          HN    GLU-  14 - HB2   GLN   30  13.32 +/- 3.16   2.153% *  0.0628% (0.69   1.0   0.02   0.02) =   0.002%
          HN    ASP-  86 - HB2   GLN   30  17.54 +/- 4.42   0.714% *  0.0865% (0.95   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLN   30  14.51 +/- 3.09   1.286% *  0.0410% (0.45   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   GLN   30  18.43 +/- 4.56   0.860% *  0.0481% (0.53   1.0   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.643, support = 6.91, residual support = 158.0:
      O   HN    GLN   30 - HB3   GLN   30   2.58 +/- 0.49  84.474% * 93.1903% (0.65  10.0   6.94 159.18) =  99.115%  kept
          HN    GLU-  29 - HB3   GLN   30   5.13 +/- 0.56  11.013% *  6.3275% (0.20   1.0   4.44  26.55) =   0.877%  kept
          HN    GLU-  14 - HB3   GLN   30  14.14 +/- 3.33   1.809% *  0.1428% (0.99   1.0   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB3   GLN   30  18.57 +/- 4.63   1.459% *  0.1330% (0.92   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HB3   GLN   30  14.35 +/- 2.60   0.787% *  0.1250% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HB3   GLN   30  16.73 +/- 4.24   0.458% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.627, support = 7.27, residual support = 153.4:
          HN    GLN   30 - HG2   GLN   30   3.28 +/- 0.59  76.301% * 82.4146% (0.65   7.38 159.18) =  95.648%  kept
          HN    GLU-  29 - HG2   GLN   30   5.40 +/- 0.67  17.290% * 16.4300% (0.20   4.81  26.55) =   4.321%  kept
          HN    GLU-  14 - HG2   GLN   30  12.64 +/- 3.48   4.422% *  0.3420% (0.99   0.02   0.02) =   0.023%
          HN    LYS+  99 - HG2   GLN   30  16.46 +/- 2.54   0.861% *  0.2993% (0.87   0.02   0.02) =   0.004%
          HE1   HIS  122 - HG2   GLN   30  19.78 +/- 4.42   0.467% *  0.3186% (0.92   0.02   0.02) =   0.002%
          HN    ASP-  86 - HG2   GLN   30  18.40 +/- 4.15   0.658% *  0.1954% (0.57   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.06, residual support = 158.3:
      O   HE21  GLN   30 - HG2   GLN   30   3.83 +/- 0.22  86.111% * 96.0088% (0.87  10.0   4.07 159.18) =  99.453%  kept
          HD1   TRP   27 - HG2   GLN   30   7.66 +/- 0.82  11.890% *  3.8047% (1.00   1.0   0.69   0.02) =   0.544%  kept
          QD    PHE   59 - HG2   GLN   30  17.72 +/- 2.56   1.519% *  0.1104% (1.00   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HG2   GLN   30  24.99 +/- 4.17   0.480% *  0.0760% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.868, support = 3.2, residual support = 158.9:
      O   HE21  GLN   30 - HG3   GLN   30   3.91 +/- 0.36  65.125% * 98.6242% (0.87  10.0   3.20 159.18) =  99.853%  kept
          HD1   TRP   27 - HG3   GLN   30   7.98 +/- 0.74   8.373% *  1.0717% (1.00   1.0   0.19   0.02) =   0.140%  kept
          QD    PHE   59 - HG3   GLN   30  17.63 +/- 2.69   0.984% *  0.1134% (1.00   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   LYS+ 111   9.96 +/- 1.06   4.736% *  0.0228% (0.20   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   PRO   93   8.68 +/- 2.01   8.935% *  0.0088% (0.08   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   LYS+ 111  12.78 +/- 3.84   4.557% *  0.0157% (0.14   1.0   0.02   0.02) =   0.001%
          HH2   TRP   49 - HG3   GLN   30  25.11 +/- 3.57   0.390% *  0.0781% (0.69   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  10.80 +/- 2.27   4.276% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.68 +/- 3.21   1.094% *  0.0088% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.53 +/- 2.54   0.350% *  0.0228% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  20.26 +/- 3.37   0.850% *  0.0077% (0.07   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  26.03 +/- 4.16   0.329% *  0.0198% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.628, support = 6.48, residual support = 153.6:
          HN    GLN   30 - HG3   GLN   30   3.48 +/- 0.64  68.785% * 82.6836% (0.65   6.59 159.18) =  95.779%  kept
          HN    GLU-  29 - HG3   GLN   30   5.68 +/- 0.76  15.876% * 15.5641% (0.20   4.05  26.55) =   4.161%  kept
          HN    GLU-  14 - HG3   GLN   30  12.48 +/- 3.54   6.770% *  0.3845% (0.99   0.02   0.02) =   0.044%
          HN    LYS+  99 - HG3   GLN   30  16.17 +/- 2.53   1.017% *  0.3365% (0.87   0.02   0.02) =   0.006%
          HE1   HIS  122 - HG3   GLN   30  19.48 +/- 4.71   0.804% *  0.3581% (0.92   0.02   0.02) =   0.005%
          HN    ASP-  86 - HG3   GLN   30  18.55 +/- 3.91   0.680% *  0.2196% (0.57   0.02   0.02) =   0.003%
          HE1   HIS  122 - HB2   LYS+ 111  18.03 +/- 1.83   0.663% *  0.0720% (0.19   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   PRO   93  16.11 +/- 2.71   1.346% *  0.0279% (0.07   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   LYS+ 111  22.27 +/- 2.18   0.374% *  0.0676% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.60 +/- 1.41   1.266% *  0.0171% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  22.21 +/- 1.99   0.339% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.53 +/- 0.53   0.491% *  0.0262% (0.07   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.89 +/- 3.79   0.133% *  0.0773% (0.20   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.39 +/- 2.81   0.481% *  0.0196% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.59 +/- 2.34   0.182% *  0.0504% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  27.10 +/- 3.51   0.226% *  0.0300% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.91 +/- 2.41   0.160% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.46 +/- 2.93   0.408% *  0.0060% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.179, support = 5.26, residual support = 43.8:
          HG    LEU   31 - HB3   GLN   30   3.96 +/- 0.54  46.834% * 70.4779% (0.15  1.00   6.14  51.69) =  83.869%  kept
          QD2   LEU   73 - HB3   GLN   30   5.05 +/- 2.77  38.435% * 13.9102% (0.25  1.00   0.75   3.60) =  13.585%  kept
          QD2   LEU  123 - HB3   GLN   30  20.44 +/- 5.23  13.770% *  6.9128% (0.61  1.00   0.15   0.02) =   2.419%  kept
        T QD1   ILE   56 - HB3   GLN   30  17.12 +/- 1.81   0.627% *  7.2410% (0.49 10.00   0.02   0.02) =   0.115%  kept
          HG3   LYS+ 121 - HB3   GLN   30  22.95 +/- 4.74   0.334% *  1.4582% (0.98  1.00   0.02   0.02) =   0.012%
    Distance limit 3.69 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.877, support = 2.45, residual support = 3.27:
          QD1   LEU   73 - HB3   GLN   30   4.37 +/- 2.57  55.167% * 70.4545% (0.87   2.62   3.60) =  90.726%  kept
          QD2   LEU   80 - HB3   GLN   30   8.57 +/- 4.33  14.235% * 26.6287% (0.99   0.87   0.02) =   8.848%  kept
          QG1   VAL   83 - HB3   GLN   30  10.16 +/- 4.02   7.455% *  1.0485% (0.41   0.08   0.02) =   0.182%  kept
          QD1   LEU   63 - HB3   GLN   30  12.84 +/- 2.20  12.379% *  0.5383% (0.87   0.02   0.02) =   0.156%  kept
          QD1   LEU  104 - HB3   GLN   30  13.89 +/- 2.57   3.276% *  0.5383% (0.87   0.02   0.02) =   0.041%
          QD2   LEU   63 - HB3   GLN   30  12.03 +/- 1.71   5.889% *  0.1725% (0.28   0.02   0.02) =   0.024%
          QD2   LEU  115 - HB3   GLN   30  17.01 +/- 1.87   1.598% *  0.6192% (1.00   0.02   0.02) =   0.023%
    Distance limit 3.78 A violated in 2 structures by 0.56 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.769, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  20.16 +/- 5.25  32.194% * 54.6388% (0.97   0.02   0.02) =  59.829%  kept
          HG3   LYS+ 121 - HB2   GLN   30  22.90 +/- 4.69  21.108% * 36.6255% (0.65   0.02   0.02) =  26.296%  kept
          QD1   ILE   56 - HB2   GLN   30  17.11 +/- 1.71  46.698% *  8.7356% (0.15   0.02   0.02) =  13.875%  kept
    Distance limit 3.53 A violated in 19 structures by 11.69 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.873, support = 1.22, residual support = 3.3:
          QD1   LEU   73 - HB2   GLN   30   4.44 +/- 2.61  54.834% * 70.4508% (0.87   1.30   3.60) =  91.723%  kept
          QD2   LEU   80 - HB2   GLN   30   9.21 +/- 4.40  13.177% * 23.6578% (0.99   0.38   0.02) =   7.402%  kept
          QG1   VAL   83 - HB2   GLN   30  10.81 +/- 4.08   6.921% *  2.1177% (0.41   0.08   0.02) =   0.348%  kept
          QD1   LEU   63 - HB2   GLN   30  12.76 +/- 2.15  12.262% *  1.0873% (0.87   0.02   0.02) =   0.317%  kept
          QD1   LEU  104 - HB2   GLN   30  14.01 +/- 2.47   3.525% *  1.0873% (0.87   0.02   0.02) =   0.091%
          QD2   LEU   63 - HB2   GLN   30  11.90 +/- 1.78   7.274% *  0.3485% (0.28   0.02   0.02) =   0.060%
          QD2   LEU  115 - HB2   GLN   30  17.09 +/- 1.79   2.007% *  1.2506% (1.00   0.02   0.02) =   0.060%
    Distance limit 3.77 A violated in 4 structures by 0.68 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 5.0, residual support = 159.1:
      O T HA    GLN   30 - HG3   GLN   30   2.87 +/- 0.68  68.531% * 98.6729% (0.65  10.0 10.00   5.00 159.18) =  99.976%  kept
          QB    SER   13 - HG3   GLN   30  12.38 +/- 4.07   3.789% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          HB    THR   39 - HG3   GLN   30   9.49 +/- 1.94   2.686% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB3   SER   37 - HG3   GLN   30  10.09 +/- 1.96   2.691% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T HD3   PRO   52 - HB2   PRO   93  11.54 +/- 2.84   2.426% *  0.0863% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          HB3   SER   82 - HG3   GLN   30  16.84 +/- 4.28   0.732% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   52 - HB2   LYS+ 111  14.20 +/- 4.65   2.763% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HG3   GLN   30  20.86 +/- 2.81   0.301% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.26 +/- 2.58   0.107% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.81 +/- 0.91   2.629% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  21.82 +/- 3.74   0.459% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.46 +/- 2.78   0.216% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  25.70 +/- 2.60   0.139% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   9.15 +/- 1.98   5.052% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111  11.17 +/- 1.52   1.860% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  15.89 +/- 2.28   0.607% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.05 +/- 2.58   0.255% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.16 +/- 2.74   1.147% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.14 +/- 2.21   0.693% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.49 +/- 1.59   1.950% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  25.72 +/- 2.38   0.140% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.45 +/- 2.91   0.145% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.20 +/- 2.17   0.232% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.49 +/- 3.66   0.084% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.38 +/- 3.39   0.096% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.18 +/- 3.75   0.136% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  26.03 +/- 2.36   0.137% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.9, residual support = 20.6:
          HZ2   TRP   27 - QD1   LEU   31   2.68 +/- 0.37  97.088% * 99.8130% (0.87   1.90  20.58) =  99.994%  kept
          HZ    PHE   72 - QD1   LEU   31  10.12 +/- 1.87   2.912% *  0.1870% (0.15   0.02   0.02) =   0.006%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 0.808, residual support = 11.4:
          HD21  ASN   28 - QD1   LEU   31   4.70 +/- 1.06  42.310% * 56.1756% (0.92   0.86  19.20) =  55.187%  kept
          HZ2   TRP   87 - QD1   LEU   31   6.79 +/- 5.14  47.240% * 40.7461% (0.76   0.75   1.81) =  44.694%  kept
          HN    LEU   63 - QD1   LEU   31  13.60 +/- 2.11   1.488% *  1.0866% (0.76   0.02   0.02) =   0.038%
          HN    ALA   84 - QD1   LEU   31  10.53 +/- 3.68   4.081% *  0.3953% (0.28   0.02   0.02) =   0.037%
          QE    PHE   60 - QD1   LEU   31  11.61 +/- 2.22   3.648% *  0.2814% (0.20   0.02   0.02) =   0.024%
          HN    ILE   56 - QD1   LEU   31  18.37 +/- 1.87   0.688% *  0.9198% (0.65   0.02   0.02) =   0.015%
          HN    LYS+ 111 - QD1   LEU   31  19.05 +/- 1.82   0.546% *  0.3953% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.90 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.754, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  11.79 +/- 3.34  40.088% * 52.6698% (0.97   0.02   0.02) =  63.026%  kept
          HN    ASP- 105 - QD1   LEU   31  10.78 +/- 2.35  47.697% * 18.6164% (0.34   0.02   0.02) =  26.505%  kept
          HN    PHE   55 - QD1   LEU   31  19.33 +/- 1.99  12.215% * 28.7138% (0.53   0.02   0.02) =  10.469%  kept
    Distance limit 4.29 A violated in 20 structures by 5.29 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.69, residual support = 231.3:
          HN    LEU   31 - HG    LEU   31   2.41 +/- 0.43  97.284% * 99.1402% (0.67   7.69 231.30) =  99.994%  kept
          HN    LYS+  38 - HG    LEU   31  10.80 +/- 1.07   1.914% *  0.1998% (0.52   0.02   0.02) =   0.004%
          HN    ASP-  62 - HG    LEU   31  17.59 +/- 2.24   0.421% *  0.2769% (0.72   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG    LEU   31  23.05 +/- 2.63   0.206% *  0.3061% (0.79   0.02   0.02) =   0.001%
          HN    PHE   55 - HG    LEU   31  23.59 +/- 2.39   0.174% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.2:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.04  92.367% * 99.3670% (0.34  10.0   7.14 231.30) =  99.977%  kept
          HN    LYS+  38 - HB3   LEU   31   9.27 +/- 1.00   6.577% *  0.2907% (1.00   1.0   0.02   0.02) =   0.021%
          HN    ASP-  62 - HB3   LEU   31  18.74 +/- 2.32   0.737% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB3   LEU   31  24.54 +/- 2.55   0.319% *  0.2226% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.774, support = 5.35, residual support = 39.9:
          HN    GLN   32 - HB3   LEU   31   3.90 +/- 0.19  62.466% * 75.7674% (0.76   5.92  44.66) =  86.426%  kept
          HN    ALA   34 - HB3   LEU   31   5.04 +/- 0.47  31.308% * 23.7007% (0.84   1.69   9.71) =  13.550%  kept
          HN    LEU   80 - HB3   LEU   31  14.51 +/- 4.40   4.752% *  0.2432% (0.73   0.02   0.37) =   0.021%
          HN    SER   85 - HB3   LEU   31  16.23 +/- 4.21   1.175% *  0.1257% (0.38   0.02   0.02) =   0.003%
          HN    CYS   53 - HB3   LEU   31  24.39 +/- 2.50   0.299% *  0.1630% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.55, residual support = 19.2:
        T HA    ASN   28 - HB2   LEU   31   3.62 +/- 0.43  69.600% * 96.9835% (0.73 10.00   2.56  19.20) =  99.726%  kept
        T HA    ALA   34 - HB2   LEU   31   7.47 +/- 0.33   8.500% *  1.1978% (0.90 10.00   0.02   9.71) =   0.150%  kept
          HA    THR   26 - HB2   LEU   31   8.69 +/- 0.45   5.230% *  1.1954% (0.76  1.00   0.23   0.02) =   0.092%
          HA1   GLY  101 - HB2   LEU   31  11.12 +/- 5.79  15.254% *  0.1324% (0.99  1.00   0.02   0.02) =   0.030%
        T HA    ALA  124 - HB2   LEU   31  27.58 +/- 6.58   0.213% *  0.2061% (0.15 10.00   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   LEU   31  21.75 +/- 2.12   0.353% *  0.1021% (0.76  1.00   0.02   0.02) =   0.001%
          HA    GLU- 114 - HB2   LEU   31  25.37 +/- 2.05   0.220% *  0.1324% (0.99  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  24.33 +/- 3.22   0.324% *  0.0297% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.87 +/- 2.50   0.304% *  0.0206% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.3:
      O   HN    LEU   31 - HB2   LEU   31   2.61 +/- 0.19  97.674% * 99.3670% (0.34  10.0   7.14 231.30) =  99.994%  kept
          HN    LYS+  38 - HB2   LEU   31  10.01 +/- 0.79   1.922% *  0.2907% (1.00   1.0   0.02   0.02) =   0.006%
          HN    ASP-  62 - HB2   LEU   31  19.59 +/- 2.33   0.275% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  25.12 +/- 2.59   0.129% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.769, support = 5.69, residual support = 42.5:
          HN    GLN   32 - HB2   LEU   31   2.77 +/- 0.26  83.806% * 71.7528% (0.76   5.92  44.66) =  93.889%  kept
          HN    ALA   34 - HB2   LEU   31   5.21 +/- 0.23  14.094% * 27.7437% (0.84   2.10   9.71) =   6.105%  kept
          HN    LEU   80 - HB2   LEU   31  14.32 +/- 4.21   1.406% *  0.2302% (0.73   0.02   0.37) =   0.005%
          HN    SER   85 - HB2   LEU   31  16.17 +/- 4.32   0.536% *  0.1190% (0.38   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   31  24.96 +/- 2.61   0.158% *  0.1543% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 231.3:
      O   HN    LEU   31 - HA    LEU   31   2.81 +/- 0.06  94.991% * 99.3670% (0.34  10.0   7.14 231.30) =  99.985%  kept
          HN    LYS+  38 - HA    LEU   31   7.99 +/- 0.54   4.406% *  0.2907% (1.00   1.0   0.02   0.02) =   0.014%
          HN    ASP-  62 - HA    LEU   31  17.90 +/- 2.18   0.436% *  0.1198% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU   31  24.25 +/- 2.48   0.167% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 5.36, residual support = 38.5:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.04  40.731% * 84.9172% (0.76  10.0   5.92  44.66) =  82.400%  kept
          HN    ALA   34 - HA    LEU   31   3.20 +/- 0.42  57.353% * 12.8308% (0.84   1.0   2.76   9.71) =  17.532%  kept
          HN    LEU   80 - HA    LEU   31  15.06 +/- 3.90   1.314% *  2.1562% (0.73   1.0   0.53   0.37) =   0.067%
          HN    SER   85 - HA    LEU   31  17.63 +/- 3.70   0.452% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.23 +/- 2.34   0.150% *  0.0541% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.609, support = 0.979, residual support = 1.21:
          QD1   LEU   73 - HA    LEU   31   6.64 +/- 2.09  36.418% * 49.6074% (0.49   1.18   1.62) =  67.622%  kept
          QD2   LEU   80 - HA    LEU   31   9.97 +/- 3.98  18.078% * 44.6758% (0.87   0.60   0.37) =  30.230%  kept
          QD1   LEU  104 - HA    LEU   31  11.33 +/- 2.35  13.548% *  1.7109% (0.99   0.02   0.02) =   0.868%  kept
          QG1   VAL   83 - HA    LEU   31  10.42 +/- 3.44  14.217% *  1.3822% (0.80   0.02   0.02) =   0.736%  kept
          QD1   LEU   63 - HA    LEU   31  12.97 +/- 2.26  11.558% *  0.8402% (0.49   0.02   0.02) =   0.364%  kept
          QD2   LEU  115 - HA    LEU   31  17.06 +/- 1.68   2.464% *  1.4418% (0.84   0.02   0.02) =   0.133%  kept
          QG2   ILE   89 - HA    LEU   31  14.52 +/- 2.29   3.718% *  0.3416% (0.20   0.02   0.02) =   0.048%
    Distance limit 3.85 A violated in 12 structures by 1.74 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 3.54, residual support = 16.1:
          HD1   TRP   87 - QG2   VAL   83   2.82 +/- 0.87  74.978% * 73.3828% (0.53   3.67  16.24) =  95.041%  kept
          HE3   TRP   87 - QG2   VAL   83   6.35 +/- 0.67  12.852% * 19.3783% (0.45   1.14  16.24) =   4.302%  kept
          HN    TRP   27 - QG2   VAL   83   9.76 +/- 4.11   6.424% *  5.4423% (1.00   0.14   0.68) =   0.604%  kept
          HN    ALA   91 - QG2   VAL   83   9.03 +/- 1.00   3.221% *  0.6349% (0.84   0.02   0.02) =   0.035%
          HN    ALA   61 - QG2   VAL   83  14.23 +/- 1.65   0.944% *  0.5809% (0.76   0.02   0.02) =   0.009%
          HN    THR   39 - QG2   VAL   83  15.42 +/- 2.51   0.910% *  0.4303% (0.57   0.02   0.02) =   0.007%
          HN    GLU-  36 - QG2   VAL   83  16.29 +/- 2.61   0.671% *  0.1504% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.33 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  11.17 +/- 1.34 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.19 A violated in 20 structures by 7.98 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 = 0.0391:
          HE21  GLN   30 - QG2   VAL   42   9.83 +/- 1.71  29.731% * 30.1124% (0.67   0.02   0.02) =  39.525%  kept
          QD    PHE   59 - QG2   VAL   42   8.16 +/- 1.66  42.997% * 17.5479% (0.39   0.02   0.02) =  33.310%  kept
          HD1   TRP   27 - QG2   VAL   42  11.17 +/- 1.71  19.341% * 17.5479% (0.39   0.02   0.15) =  14.983%  kept
          HH2   TRP   49 - QG2   VAL   42  16.31 +/- 2.73   7.931% * 34.7918% (0.77   0.02   0.02) =  12.182%  kept
    Distance limit 3.38 A violated in 20 structures by 3.68 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.767, support = 0.301, residual support = 1.78:
          QD2   LEU   40 - QG2   VAL   42   3.20 +/- 0.98  35.412% * 65.0106% (0.79  1.00   0.33   1.96) =  89.699%  kept
        T HB    VAL   75 - QG2   VAL   42   7.43 +/- 1.05   5.805% * 19.1639% (0.39 10.00   0.02   0.02) =   4.335%  kept
          QD1   LEU   67 - QG2   VAL   42   5.98 +/- 1.57  12.134% *  3.9284% (0.80  1.00   0.02   0.02) =   1.857%  kept
          QG2   ILE  103 - QG2   VAL   42   5.75 +/- 1.44  11.887% *  3.9023% (0.79  1.00   0.02   0.02) =   1.807%  kept
          QD2   LEU   71 - QG2   VAL   42   6.29 +/- 2.31  17.033% *  1.9164% (0.39  1.00   0.02   1.70) =   1.272%  kept
          QD1   ILE  103 - QG2   VAL   42   6.18 +/- 1.80  12.822% *  1.4776% (0.30  1.00   0.02   0.02) =   0.738%  kept
          HG3   LYS+  74 - QG2   VAL   42  10.67 +/- 1.51   1.116% *  3.7243% (0.76  1.00   0.02   0.02) =   0.162%  kept
          QG2   ILE  119 - QG2   VAL   42   9.28 +/- 2.77   3.792% *  0.8765% (0.18  1.00   0.02   0.02) =   0.129%  kept
    Distance limit 3.09 A violated in 0 structures by 0.08 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.956, support = 4.07, residual support = 20.0:
        T HZ2   TRP   27 - QD2   LEU   31   3.58 +/- 0.66  48.319% * 96.4622% (0.99 10.00   4.18  20.58) =  96.225%  kept
        T HZ2   TRP   27 - QG2   VAL   43   4.42 +/- 3.15  51.681% *  3.5378% (0.07 10.00   1.08   5.27) =   3.775%  kept
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.19, residual support = 51.6:
          HE22  GLN   30 - QD2   LEU   31   4.39 +/- 0.18  64.892% * 99.1208% (0.90   3.20  51.69) =  99.889%  kept
          HD22  ASN   69 - QD2   LEU   31  12.87 +/- 3.29  13.141% *  0.4475% (0.65   0.02   0.02) =   0.091%
          HE22  GLN   30 - QG2   VAL   43   8.90 +/- 2.79  15.076% *  0.0420% (0.06   0.02   0.02) =   0.010%
          HN    TRP   49 - QD2   LEU   31  17.69 +/- 2.80   1.553% *  0.3367% (0.49   0.02   0.02) =   0.008%
          HD22  ASN   69 - QG2   VAL   43  13.20 +/- 1.59   2.980% *  0.0303% (0.04   0.02   0.02) =   0.001%
          HN    TRP   49 - QG2   VAL   43  13.55 +/- 0.91   2.357% *  0.0228% (0.03   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.54 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.9:
      O T HA    VAL   43 - QG2   VAL   43   2.16 +/- 0.26  85.120% * 99.3737% (0.50  10.0 10.00   3.00  60.88) =  99.978%  kept
        T HA    VAL   43 - QD2   LEU   31   6.85 +/- 2.32   4.379% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.015%
          HA    ASN   69 - QD2   LEU   31  12.02 +/- 2.90   7.110% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.003%
          HA    HIS   22 - QG2   VAL   43  10.66 +/- 2.38   1.155% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASN   69 - QG2   VAL   43  12.20 +/- 2.27   1.043% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.002%
          HA    HIS   22 - QD2   LEU   31   9.80 +/- 0.58   1.192% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.204, support = 2.92, residual support = 18.0:
        T HZ3   TRP   27 - QD2   LEU   31   3.08 +/- 0.69  60.998% * 75.5412% (0.14 10.00   3.14  20.58) =  82.849%  kept
          HZ3   TRP   27 - QG2   VAL   43   4.69 +/- 2.95  39.002% * 24.4588% (0.50  1.00   1.86   5.27) =  17.151%  kept
    Distance limit 3.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.88, support = 4.35, residual support = 42.0:
          HN    GLN   32 - QG    GLN   32   3.88 +/- 0.03  70.937% * 84.5240% (0.92   4.42  44.70) =  93.830%  kept
          HN    ALA   34 - QG    GLN   32   5.44 +/- 0.27  26.359% * 14.9399% (0.22   3.24   0.70) =   6.163%  kept
          HN    SER   85 - QG    GLN   32  18.73 +/- 3.97   0.792% *  0.3997% (0.97   0.02   0.02) =   0.005%
          HN    LEU   80 - QG    GLN   32  17.23 +/- 4.01   1.451% *  0.0639% (0.15   0.02   0.02) =   0.001%
          HN    THR   94 - QG    GLN   32  21.30 +/- 1.89   0.461% *  0.0725% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.92, support = 4.43, residual support = 44.5:
      O   HN    GLN   32 - QB    GLN   32   2.13 +/- 0.06  90.429% * 96.0368% (0.92  10.0   4.44  44.70) =  99.611%  kept
          HN    ALA   34 - QB    GLN   32   4.64 +/- 0.15   8.842% *  3.8285% (0.22   1.0   3.31   0.70) =   0.388%  kept
          HN    SER   85 - QB    GLN   32  17.52 +/- 3.95   0.205% *  0.1004% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  15.59 +/- 3.86   0.404% *  0.0161% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.91 +/- 1.88   0.120% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.261, support = 6.28, residual support = 55.3:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.03  24.947% * 68.7332% (0.36  10.0   6.48  26.55) =  55.305%  kept
      O   HN    GLU-  29 - HA    GLU-  29   2.74 +/- 0.03  51.697% * 26.4935% (0.14  10.0   6.09  91.92) =  44.176%  kept
          HN    GLN   30 - HA    GLN   32   6.79 +/- 0.21   3.437% *  2.9181% (0.55   1.0   0.55   1.74) =   0.323%  kept
          HN    GLU-  14 - HA    GLU-  29  16.80 +/- 5.00   8.183% *  0.6205% (0.41   1.0   0.16   0.02) =   0.164%  kept
          HN    GLN   30 - HA    LYS+  33   7.45 +/- 0.54   2.717% *  0.1087% (0.57   1.0   0.02   0.47) =   0.010%
          HN    GLU-  14 - HA    LYS+  33  15.01 +/- 4.57   1.487% *  0.1253% (0.65   1.0   0.02   0.02) =   0.006%
          HN    GLU-  29 - HA    GLN   32   7.56 +/- 0.43   2.541% *  0.0407% (0.21   1.0   0.02   0.02) =   0.003%
          HN    GLU-  14 - HA    GLN   32  18.02 +/- 4.73   0.644% *  0.1218% (0.63   1.0   0.02   0.02) =   0.003%
          HN    GLU-  29 - HA    LYS+  33   8.81 +/- 0.89   1.753% *  0.0419% (0.22   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    GLN   32  12.76 +/- 3.40   0.752% *  0.0958% (0.50   1.0   0.02   0.02) =   0.002%
          HN    LYS+  99 - HA    LYS+  33  14.86 +/- 2.43   0.379% *  0.0986% (0.51   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  33  21.92 +/- 5.41   0.219% *  0.1087% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLN   32  18.36 +/- 4.38   0.229% *  0.0958% (0.50   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    GLN   32  21.27 +/- 5.60   0.200% *  0.1056% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLU-  29  16.53 +/- 3.29   0.301% *  0.0623% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    GLU-  29  17.95 +/- 4.75   0.253% *  0.0623% (0.32   1.0   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    LYS+  33  21.59 +/- 3.33   0.123% *  0.0986% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.97 +/- 4.92   0.139% *  0.0687% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.387, support = 4.34, residual support = 43.0:
      O   HN    GLN   32 - HA    GLN   32   2.76 +/- 0.06  57.212% * 78.0963% (0.39  10.0   4.38  44.70) =  95.088%  kept
          HN    GLN   32 - HA    LYS+  33   5.23 +/- 0.13   8.462% * 19.1679% (0.40   1.0   4.77  15.56) =   3.452%  kept
          HN    GLN   32 - HA    GLU-  29   3.42 +/- 0.31  31.757% *  2.1576% (0.25   1.0   0.85   0.02) =   1.458%  kept
          HN    SER   85 - HA    GLN   32  19.63 +/- 4.26   0.203% *  0.1273% (0.63   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HA    GLN   32  19.37 +/- 5.07   0.963% *  0.0213% (0.11   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  18.79 +/- 4.52   0.226% *  0.0829% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  22.73 +/- 3.20   0.117% *  0.1310% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.71 +/- 2.13   0.127% *  0.0671% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  21.02 +/- 4.20   0.341% *  0.0219% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.66 +/- 1.41   0.094% *  0.0691% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.47 +/- 2.35   0.134% *  0.0437% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.47 +/- 4.15   0.363% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.627, support = 5.95, residual support = 137.9:
      O   HN    LYS+  33 - HA    LYS+  33   2.85 +/- 0.03  50.822% * 79.0161% (0.69  10.0   6.17 154.33) =  88.211%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.57 +/- 0.04  26.016% * 20.3207% (0.18  10.0   4.41  15.56) =  11.613%  kept
          HN    LYS+  33 - HA    GLU-  29   4.45 +/- 1.09  20.745% *  0.3814% (0.19   1.0   0.35   0.02) =   0.174%  kept
          HN    CYS   21 - HA    LYS+  33  14.26 +/- 1.49   0.468% *  0.1032% (0.90   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.59 +/- 0.86   0.814% *  0.0288% (0.25   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLN   32  14.50 +/- 1.06   0.417% *  0.0265% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.24 +/- 3.96   0.107% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  23.43 +/- 2.19   0.097% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  26.42 +/- 3.51   0.092% *  0.0144% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  20.30 +/- 3.60   0.163% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.31 +/- 3.51   0.098% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  20.35 +/- 3.31   0.161% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.661, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  16.24 +/- 2.22  11.899% * 37.1179% (0.92   0.02   0.02) =  30.793%  kept
          HN    LYS+  81 - QB    LYS+  33  18.29 +/- 3.35   9.710% * 39.4132% (0.98   0.02   0.02) =  26.682%  kept
          HE3   TRP   27 - QB    LYS+  33   8.96 +/- 0.72  63.820% *  5.4417% (0.14   0.02   0.02) =  24.213%  kept
          HN    LYS+  66 - QB    LYS+  33  16.92 +/- 2.34  14.571% * 18.0271% (0.45   0.02   0.02) =  18.313%  kept
    Distance limit 3.71 A violated in 20 structures by 5.08 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.13, residual support = 154.3:
      O   HN    LYS+  33 - QB    LYS+  33   2.33 +/- 0.24  98.453% * 99.9232% (0.97  10.0   6.13 154.33) =  99.999%  kept
          HN    CYS   21 - QB    LYS+  33  11.09 +/- 1.42   1.206% *  0.0586% (0.57   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - QB    LYS+  33  22.88 +/- 3.93   0.340% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.877, support = 5.61, residual support = 36.9:
          HN    ALA   34 - QB    LYS+  33   3.39 +/- 0.33  69.233% * 67.4527% (0.92   5.93  41.26) =  83.176%  kept
          HN    GLN   32 - QB    LYS+  33   4.67 +/- 0.36  29.399% * 32.1232% (0.65   4.03  15.56) =  16.820%  kept
          HN    LEU   80 - QB    LYS+  33  16.64 +/- 2.93   0.773% *  0.2060% (0.84   0.02   0.02) =   0.003%
          HN    SER   85 - QB    LYS+  33  19.83 +/- 2.63   0.414% *  0.0686% (0.28   0.02   0.02) =   0.001%
          HN    CYS   53 - QB    LYS+  33  25.38 +/- 2.23   0.181% *  0.1496% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.572, support = 0.02, residual support = 0.02:
          HN    ILE  103 - QB    LYS+  33  15.57 +/- 3.01  24.729% * 24.3087% (0.57   0.02   0.02) =  32.919%  kept
          HN    SER   82 - QB    LYS+  33  18.09 +/- 3.21  16.053% * 34.3809% (0.80   0.02   0.02) =  30.224%  kept
          HN    GLY   16 - QB    LYS+  33  11.06 +/- 3.46  52.232% *  8.4971% (0.20   0.02   0.02) =  24.304%  kept
          HN    GLN   90 - QB    LYS+  33  22.75 +/- 1.76   6.986% * 32.8133% (0.76   0.02   0.02) =  12.552%  kept
    Distance limit 3.92 A violated in 20 structures by 6.22 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.519, support = 5.6, residual support = 151.5:
      O   HA    LYS+  33 - HG2   LYS+  33   3.88 +/- 0.21  43.238% * 93.1959% (0.53  10.0   5.65 154.33) =  98.021%  kept
          HB2   SER   82 - QG    LYS+  81   6.31 +/- 1.19  15.426% *  4.1248% (0.13   1.0   3.50  13.06) =   1.548%  kept
          HA    GLU-  29 - HG2   LYS+  33   6.52 +/- 1.04  12.059% *  1.1956% (0.38   1.0   0.36   0.02) =   0.351%  kept
          HB2   SER   37 - HG2   LYS+  33   6.68 +/- 2.11  15.330% *  0.1480% (0.84   1.0   0.02   0.02) =   0.055%
          HA    VAL   70 - HG2   LYS+  33  12.57 +/- 1.98   1.590% *  0.1480% (0.84   1.0   0.02   0.02) =   0.006%
          HA1   GLY   16 - HG2   LYS+  33  12.54 +/- 3.12   2.081% *  0.0862% (0.49   1.0   0.02   0.02) =   0.004%
          HA    VAL   18 - HG2   LYS+  33  11.29 +/- 1.92   2.338% *  0.0604% (0.34   1.0   0.02   0.02) =   0.003%
          HA    VAL   70 - HG2   LYS+ 106  15.01 +/- 3.50   1.262% *  0.0897% (0.51   1.0   0.02   0.02) =   0.003%
          HA    GLN  116 - HG2   LYS+ 106  15.02 +/- 1.98   0.883% *  0.0897% (0.51   1.0   0.02   0.02) =   0.002%
          HA    GLN  116 - HG2   LYS+  33  25.01 +/- 3.46   0.245% *  0.1480% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HG2   LYS+ 106  20.40 +/- 2.03   0.349% *  0.0897% (0.51   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - QG    LYS+  81  20.69 +/- 2.54   0.442% *  0.0708% (0.40   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - QG    LYS+  81  23.02 +/- 3.06   0.345% *  0.0708% (0.40   1.0   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG    LYS+  81  17.48 +/- 4.55   0.753% *  0.0318% (0.18   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   LYS+  33  19.34 +/- 3.96   0.464% *  0.0493% (0.28   1.0   0.02   0.02) =   0.001%
          HA    GLN  116 - QG    LYS+  81  21.86 +/- 2.27   0.299% *  0.0708% (0.40   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG    LYS+  81  21.42 +/- 3.81   0.423% *  0.0446% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  18.35 +/- 2.97   0.594% *  0.0299% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  22.96 +/- 4.07   0.297% *  0.0523% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.78 +/- 2.03   0.272% *  0.0565% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  19.87 +/- 2.92   0.384% *  0.0366% (0.21   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  19.35 +/- 4.32   0.424% *  0.0289% (0.16   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.43 +/- 2.74   0.298% *  0.0403% (0.23   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  24.54 +/- 4.35   0.208% *  0.0413% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.25, residual support = 125.4:
        T QD1   ILE   56 - QG2   ILE   56   2.32 +/- 0.53  92.605% * 99.6085% (0.98 10.00   5.25 125.40) =  99.996%  kept
          QD2   LEU   73 - QG2   ILE   56  11.87 +/- 2.54   1.876% *  0.0814% (0.80  1.00   0.02   0.02) =   0.002%
        T QG1   VAL   41 - QG2   ILE   56  14.93 +/- 1.14   0.549% *  0.1568% (0.15 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QG2   ILE   56  12.65 +/- 2.34   1.115% *  0.0738% (0.73  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - QG2   ILE   56   9.58 +/- 2.68   3.546% *  0.0138% (0.14  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QG2   ILE   56  18.45 +/- 1.88   0.309% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.977, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   4.23 +/- 1.67  67.559% * 49.9558% (0.99 10.00   0.02   0.02) =  94.640%  kept
        T HA    ILE   19 - QG2   ILE   56  16.06 +/- 2.82   3.575% * 42.0992% (0.84 10.00   0.02   0.02) =   4.220%  kept
          HA    GLU- 114 - QG2   ILE   56   8.56 +/- 1.74  25.400% *  1.2568% (0.25  1.00   0.02   0.02) =   0.895%  kept
          HA    GLU-  25 - QG2   ILE   56  21.55 +/- 3.08   1.343% *  3.0570% (0.61  1.00   0.02   0.02) =   0.115%  kept
          HA    THR   26 - QG2   ILE   56  21.12 +/- 2.69   1.428% *  2.8535% (0.57  1.00   0.02   0.02) =   0.114%  kept
          HA1   GLY  101 - QG2   ILE   56  21.93 +/- 2.52   0.696% *  0.7777% (0.15  1.00   0.02   0.02) =   0.015%
    Distance limit 3.17 A violated in 8 structures by 1.19 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.919, support = 4.2, residual support = 22.6:
          HA    PHE   55 - QG2   ILE   56   4.31 +/- 0.54  60.219% * 93.6372% (0.92   4.25  22.92) =  98.743%  kept
          HA    ALA  110 - QG2   ILE   56  10.86 +/- 2.66  12.907% *  5.2821% (0.65   0.34   0.14) =   1.194%  kept
          HA    THR   46 - QG2   ILE   56   9.06 +/- 2.76  20.798% *  0.0946% (0.20   0.02   0.02) =   0.034%
          HA    VAL   42 - QG2   ILE   56  13.97 +/- 1.46   1.991% *  0.3826% (0.80   0.02   0.02) =   0.013%
          HA    GLN   90 - QG2   ILE   56  15.97 +/- 3.23   1.651% *  0.3652% (0.76   0.02   0.02) =   0.011%
          HA    GLN   17 - QG2   ILE   56  15.58 +/- 2.67   2.024% *  0.1191% (0.25   0.02   0.02) =   0.004%
          HA    SER   37 - QG2   ILE   56  23.63 +/- 2.04   0.410% *  0.1191% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 1 structures by 0.85 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  10.40 +/- 1.29 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.00 A violated in 20 structures by 7.39 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.32, residual support = 31.9:
          HN    ALA   57 - QG2   ILE   56   3.57 +/- 0.49  59.174% * 99.1189% (0.92   5.34  31.96) =  99.775%  kept
          HE21  GLN  116 - QG2   ILE   56   6.35 +/- 2.85  33.458% *  0.3491% (0.87   0.02   0.02) =   0.199%  kept
          HN    ALA  120 - QG2   ILE   56   9.02 +/- 2.02   6.601% *  0.1959% (0.49   0.02   0.02) =   0.022%
          HE21  GLN   90 - QG2   ILE   56  17.79 +/- 3.86   0.767% *  0.3362% (0.84   0.02   0.02) =   0.004%
    Distance limit 3.49 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.644, support = 6.7, residual support = 124.5:
          HN    ILE   56 - QG2   ILE   56   2.57 +/- 0.78  74.983% * 95.4346% (0.65   6.74 125.40) =  99.293%  kept
          QE    PHE   60 - QG2   ILE   56   6.69 +/- 2.25  14.867% *  3.2487% (0.20   0.75   4.45) =   0.670%  kept
          HN    LEU   63 - QG2   ILE   56   7.72 +/- 1.33   5.597% *  0.3346% (0.76   0.02   0.02) =   0.026%
          HN    LYS+ 111 - QG2   ILE   56   9.60 +/- 2.21   3.300% *  0.1217% (0.28   0.02   0.02) =   0.006%
          HZ2   TRP   87 - QG2   ILE   56  17.08 +/- 3.26   0.524% *  0.3346% (0.76   0.02   0.02) =   0.002%
          HD21  ASN   28 - QG2   ILE   56  19.21 +/- 2.51   0.339% *  0.4041% (0.92   0.02   0.02) =   0.002%
          HN    ALA   84 - QG2   ILE   56  17.70 +/- 2.88   0.389% *  0.1217% (0.28   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.793, support = 3.08, residual support = 7.37:
        T HB    THR   39 - QB    ALA   34   3.76 +/- 1.19  44.173% * 92.0525% (0.80 10.00   3.16   7.67) =  95.727%  kept
          HA    GLN   30 - QB    ALA   34   4.83 +/- 0.96  23.770% *  4.2763% (0.44  1.00   1.71   1.36) =   2.393%  kept
          HB3   SER   37 - QB    ALA   34   5.29 +/- 0.75  24.113% *  3.2838% (0.69  1.00   0.84   0.02) =   1.864%  kept
          QB    SER   13 - QB    ALA   34  12.42 +/- 3.26   4.801% *  0.0948% (0.83  1.00   0.02   0.02) =   0.011%
          HB3   SER   82 - QB    ALA   34  15.23 +/- 2.84   1.004% *  0.1017% (0.89  1.00   0.02   0.02) =   0.002%
          HA    ILE   89 - QB    ALA   34  17.12 +/- 1.41   0.530% *  0.0784% (0.69  1.00   0.02   0.02) =   0.001%
          HB    THR  118 - QB    ALA   34  16.51 +/- 2.74   1.000% *  0.0385% (0.34  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - QB    ALA   34  22.93 +/- 2.29   0.257% *  0.0581% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.75 +/- 1.98   0.353% *  0.0158% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.71, residual support = 9.71:
          HA    LEU   31 - QB    ALA   34   2.33 +/- 0.43 100.000% *100.0000% (0.65   1.71   9.71) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.752, support = 3.05, residual support = 8.41:
        T QG1   VAL   41 - QB    ALA   34   2.73 +/- 1.41  64.362% * 88.5135% (0.75 10.00   3.10   8.36) =  95.985%  kept
          HG    LEU   31 - QB    ALA   34   4.81 +/- 0.76  22.915% * 10.3072% (0.83  1.00   2.11   9.71) =   3.979%  kept
        T QG2   VAL   18 - QB    ALA   34   9.64 +/- 1.40   2.678% *  0.4357% (0.37 10.00   0.02   0.02) =   0.020%
          QD2   LEU   73 - QB    ALA   34   6.37 +/- 1.72   5.787% *  0.0849% (0.72  1.00   0.02   0.02) =   0.008%
        T QD1   ILE   56 - QB    ALA   34  15.06 +/- 1.49   0.397% *  0.5575% (0.47 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - QB    ALA   34   7.87 +/- 1.94   3.002% *  0.0686% (0.58  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - QB    ALA   34  12.72 +/- 1.18   0.859% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.45, residual support = 21.3:
          HN    ASN   35 - QB    ALA   34   3.01 +/- 0.04  96.402% * 98.6566% (0.62   3.45  21.35) =  99.984%  kept
          HN    ALA   12 - QB    ALA   34  15.82 +/- 3.76   1.091% *  0.8300% (0.89   0.02   0.02) =   0.010%
          HN    PHE   97 - QB    ALA   34  11.22 +/- 1.34   2.061% *  0.2567% (0.28   0.02   0.02) =   0.006%
          HN    LEU  115 - QB    ALA   34  18.69 +/- 1.80   0.446% *  0.2567% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.68, residual support = 25.0:
      O   HN    ALA   34 - QB    ALA   34   2.03 +/- 0.08  98.381% * 99.6936% (0.58  10.0   3.68  25.04) =  99.999%  kept
          HN    LEU   80 - QB    ALA   34  14.13 +/- 3.11   0.796% *  0.1178% (0.69   1.0   0.02   0.02) =   0.001%
          HN    THR   26 - QB    ALA   34  10.71 +/- 0.75   0.721% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.87 +/- 1.97   0.102% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 3.49, residual support = 25.0:
      O   HN    ALA   34 - HA    ALA   34   2.75 +/- 0.02  91.529% * 99.6949% (0.87  10.0   3.49  25.04) =  99.997%  kept
          HN    GLN   32 - HA    ALA   34   6.67 +/- 0.21   6.440% *  0.0287% (0.25   1.0   0.02   0.70) =   0.002%
          HN    LEU   80 - HA    ALA   34  18.55 +/- 3.43   0.577% *  0.1031% (0.89   1.0   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    ALA  124  26.28 +/- 7.39   0.499% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.42 +/- 2.43   0.115% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  24.01 +/- 4.79   0.357% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.58 +/- 7.08   0.411% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  30.64 +/- 3.08   0.073% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.866, support = 2.34, residual support = 6.62:
          HB    THR   39 - HA    ALA   34   3.86 +/- 1.50  44.604% * 76.8146% (0.88   2.63   7.67) =  85.989%  kept
          HB3   SER   37 - HA    ALA   34   4.13 +/- 0.72  36.050% * 13.1701% (0.89   0.44   0.02) =  11.916%  kept
          HA    GLN   30 - HA    ALA   34   6.12 +/- 1.08  11.553% *  7.0301% (0.16   1.35   1.36) =   2.038%  kept
          QB    SER   13 - HA    ALA   34  13.76 +/- 3.99   2.573% *  0.5746% (0.87   0.02   0.02) =   0.037%
          HB    THR  118 - HA    ALA   34  21.22 +/- 3.34   0.466% *  0.4550% (0.69   0.02   0.02) =   0.005%
          HB3   SER   82 - HA    ALA   34  20.04 +/- 3.20   0.314% *  0.4323% (0.65   0.02   0.02) =   0.003%
          HA    ILE   89 - HA    ALA   34  22.62 +/- 1.49   0.173% *  0.5940% (0.89   0.02   0.02) =   0.003%
          HB    THR  118 - HA    ALA  124  13.79 +/- 0.54   0.845% *  0.1044% (0.16   0.02   0.02) =   0.002%
          HB    THR   39 - HA    ALA  124  22.46 +/- 7.21   0.497% *  0.1340% (0.20   0.02   0.02) =   0.002%
          HB3   SER   37 - HA    ALA  124  25.23 +/- 7.96   0.380% *  0.1364% (0.21   0.02   0.02) =   0.001%
          HA    GLN   30 - HA    ALA  124  27.62 +/- 7.19   1.721% *  0.0239% (0.04   0.02   0.02) =   0.001%
          QB    SER   13 - HA    ALA  124  25.65 +/- 5.27   0.310% *  0.1319% (0.20   0.02   0.02) =   0.001%
          HD3   PRO   52 - HA    ALA   34  28.88 +/- 2.80   0.098% *  0.1325% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  28.36 +/- 2.34   0.093% *  0.1364% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  26.67 +/- 5.47   0.262% *  0.0304% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  33.65 +/- 3.47   0.062% *  0.0992% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 54.6:
      O T HA    ASN   35 - HB2   ASN   35   2.59 +/- 0.14  80.341% * 97.5620% (0.90  10.0 10.00   4.02  54.57) =  99.971%  kept
        T HA    LEU   40 - HB2   ASN   35   9.64 +/- 1.04   1.669% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.015%
        T HA    GLU-  15 - HB2   ASN   35  16.20 +/- 4.44   0.632% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.004%
        T HA    ASN   35 - HB2   ASN   28  13.29 +/- 1.19   0.684% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB2   ASN   28  19.53 +/- 5.54  12.277% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   ASN   35  10.81 +/- 2.43   1.621% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   ASN   28  17.26 +/- 3.54   0.749% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB2   ASN   28  15.41 +/- 1.26   0.407% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   ASN   35  19.70 +/- 4.79   0.384% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  26.43 +/- 7.08   0.164% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  17.11 +/- 2.64   0.354% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.31 +/- 2.54   0.060% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  28.74 +/- 5.75   0.176% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.58 +/- 3.57   0.108% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.49 +/- 3.06   0.101% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  23.63 +/- 2.75   0.147% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.32 +/- 2.70   0.054% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  28.38 +/- 2.94   0.072% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.83, residual support = 54.6:
      O   HN    ASN   35 - HB2   ASN   35   3.07 +/- 0.42  80.014% * 99.6071% (0.57  10.0   5.83  54.57) =  99.992%  kept
          HN    GLU-  14 - HB2   ASN   28  18.64 +/- 4.87  11.410% *  0.0187% (0.11   1.0   0.02   0.02) =   0.003%
          HN    LYS+  99 - HB2   ASN   35  11.80 +/- 2.84   2.049% *  0.0996% (0.57   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HB2   ASN   28  10.97 +/- 0.80   2.102% *  0.0310% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB2   ASN   35  18.47 +/- 4.61   0.866% *  0.0600% (0.34   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASN   35  21.10 +/- 6.00   0.535% *  0.0856% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   ASN   28  17.21 +/- 3.03   0.636% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  20.73 +/- 6.30   1.544% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  21.68 +/- 5.52   0.422% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.90 +/- 4.83   0.422% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 54.6:
      O   HD21  ASN   35 - HB2   ASN   35   3.07 +/- 0.39  93.332% * 99.7208% (1.00  10.0   3.57  54.57) =  99.998%  kept
          HD21  ASN   35 - HB2   ASN   28  11.70 +/- 1.77   2.498% *  0.0310% (0.31   1.0   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB2   ASN   28  12.70 +/- 1.53   1.816% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  20.65 +/- 2.26   0.406% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.74 +/- 2.13   0.491% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.35 +/- 3.82   0.111% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  23.89 +/- 4.99   0.330% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  19.84 +/- 2.19   0.460% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  28.31 +/- 3.31   0.146% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  21.62 +/- 5.07   0.410% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.822, support = 2.53, residual support = 6.61:
        T HA    GLN   32 - HB2   ASN   35   4.66 +/- 0.82  28.412% * 74.0291% (0.99 10.00   2.05   3.38) =  79.571%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.17 +/- 0.21  34.997% *  7.9253% (0.11 10.00   5.76  32.17) =  10.493%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.54 +/- 0.29  15.658% * 16.6286% (0.22 10.00   2.95   5.55) =   9.850%  kept
        T HA    GLN   32 - HB2   ASN   28   8.30 +/- 0.84   4.785% *  0.2303% (0.31 10.00   0.02   0.02) =   0.042%
        T HA    GLU-  29 - HB2   ASN   35   9.66 +/- 0.92   2.809% *  0.2548% (0.34 10.00   0.02   0.02) =   0.027%
        T HA    LYS+  33 - HB2   ASN   28  10.40 +/- 0.99   2.314% *  0.0517% (0.07 10.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - HB2   ASN   35  20.91 +/- 2.08   0.352% *  0.3349% (0.45 10.00   0.02   0.02) =   0.004%
        T HA    LYS+  65 - HB2   ASN   28  19.24 +/- 2.03   0.441% *  0.1042% (0.14 10.00   0.02   0.02) =   0.002%
          HB2   SER   82 - HB2   ASN   28  12.61 +/- 5.87   3.058% *  0.0104% (0.14  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   ASN   35  17.70 +/- 3.65   0.832% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   ASN   35  16.73 +/- 2.10   0.827% *  0.0280% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASN   35  20.49 +/- 4.57   0.491% *  0.0335% (0.45  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HB2   ASN   35  24.15 +/- 3.00   0.193% *  0.0732% (0.98  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASN   28  20.94 +/- 5.11   0.672% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  18.55 +/- 4.32   0.498% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  14.87 +/- 4.50   1.126% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  21.01 +/- 3.50   0.333% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  27.72 +/- 3.57   0.141% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  15.10 +/- 1.62   0.862% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.62 +/- 2.74   0.089% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.13 +/- 4.32   0.239% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  20.02 +/- 2.88   0.494% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  27.29 +/- 5.39   0.187% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  28.75 +/- 4.45   0.190% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.989, support = 4.95, residual support = 51.8:
          QB    GLU-  36 - HB3   ASN   35   4.20 +/- 0.18  71.852% * 97.7894% (0.99   4.96  51.98) =  99.748%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.53 +/- 0.61  13.998% *  0.9307% (0.18   0.27   0.02) =   0.185%  kept
          HB3   GLU-  29 - HB3   ASN   35   9.99 +/- 0.90   5.929% *  0.3671% (0.92   0.02   0.02) =   0.031%
          HB3   GLU-  79 - HB3   ASN   35  20.66 +/- 5.53   4.320% *  0.3838% (0.97   0.02   0.02) =   0.024%
          HG3   GLU-  29 - HB3   ASN   35  11.63 +/- 0.90   3.633% *  0.2251% (0.57   0.02   0.02) =   0.012%
          HB2   GLN   90 - HB3   ASN   35  28.21 +/- 2.73   0.268% *  0.3039% (0.76   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.717, support = 5.45, residual support = 44.7:
          QB    GLU-  36 - HB2   ASN   35   5.13 +/- 0.44  22.868% * 65.6173% (0.99  1.00   5.42  51.98) =  63.954%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.36 +/- 0.50  21.881% * 19.1549% (0.29  1.00   5.46  32.17) =  17.863%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.52 +/- 0.56  33.975% * 12.2308% (0.18  1.00   5.69  32.17) =  17.711%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.07 +/- 0.70   9.781% *  0.8085% (0.18  1.00   0.38   0.02) =   0.337%  kept
        T HB3   GLU-  79 - HB2   ASN   28  13.63 +/- 4.62   1.902% *  0.7332% (0.30 10.00   0.02   0.02) =   0.059%
          HB3   GLU-  79 - HB2   ASN   35  21.06 +/- 5.88   2.668% *  0.2357% (0.97  1.00   0.02   0.02) =   0.027%
          HB3   GLU-  29 - HB2   ASN   35  11.20 +/- 0.92   2.292% *  0.2255% (0.92  1.00   0.02   0.02) =   0.022%
        T HB2   GLN   90 - HB2   ASN   28  21.58 +/- 4.13   0.411% *  0.5806% (0.24 10.00   0.02   0.02) =   0.010%
          HG3   GLU-  29 - HB2   ASN   35  12.79 +/- 0.87   1.494% *  0.1383% (0.57  1.00   0.02   0.02) =   0.009%
          QB    GLU-  36 - HB2   ASN   28  11.95 +/- 0.88   1.816% *  0.0753% (0.31  1.00   0.02   0.02) =   0.006%
          HB2   GLN   90 - HB2   ASN   35  28.20 +/- 3.14   0.153% *  0.1867% (0.76  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB2   ASN   28  17.51 +/- 1.59   0.759% *  0.0133% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.742, support = 1.9, residual support = 4.64:
          HA    LYS+  33 - HB3   ASN   35   4.18 +/- 0.22  41.684% * 56.8025% (0.92  1.00   1.82   5.55) =  58.350%  kept
          HA    GLN   32 - HB3   ASN   35   3.86 +/- 0.60  50.668% * 33.1630% (0.49  1.00   2.02   3.38) =  41.409%  kept
        T HA    VAL   18 - HB3   ASN   35  16.27 +/- 2.10   0.840% *  6.7379% (1.00 10.00   0.02   0.02) =   0.139%  kept
          HA    GLU-  29 - HB3   ASN   35   8.57 +/- 0.83   4.676% *  0.6693% (0.99  1.00   0.02   0.02) =   0.077%
          HA    VAL   70 - HB3   ASN   35  14.59 +/- 1.59   0.992% *  0.4368% (0.65  1.00   0.02   0.02) =   0.011%
          HB2   SER   82 - HB3   ASN   35  20.25 +/- 4.45   0.498% *  0.6738% (1.00  1.00   0.02   0.02) =   0.008%
          HA    SER   48 - HB3   ASN   35  27.40 +/- 3.31   0.169% *  0.5161% (0.76  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB3   ASN   35  24.26 +/- 2.63   0.226% *  0.3553% (0.53  1.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB3   ASN   35  27.28 +/- 3.15   0.147% *  0.4368% (0.65  1.00   0.02   0.02) =   0.002%
          HD2   PRO   52 - HB3   ASN   35  31.44 +/- 2.64   0.101% *  0.2084% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.94, residual support = 54.6:
      O   HA    ASN   35 - HB3   ASN   35   3.04 +/- 0.03  91.962% * 99.4336% (0.90  10.0   3.94  54.57) =  99.994%  kept
          HA    LYS+  99 - HB3   ASN   35  11.57 +/- 2.37   2.322% *  0.0847% (0.76   1.0   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   ASN   35  10.08 +/- 0.90   2.700% *  0.0717% (0.65   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HB3   ASN   35  15.63 +/- 4.50   1.278% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   ASN   35  18.97 +/- 4.89   0.922% *  0.0497% (0.45   1.0   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   ASN   35  26.76 +/- 7.16   0.420% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  29.31 +/- 2.32   0.109% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  25.54 +/- 3.25   0.189% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  30.54 +/- 2.75   0.098% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 54.6:
      O   HD21  ASN   35 - HB3   ASN   35   2.27 +/- 0.20  99.493% * 99.8105% (1.00  10.0   3.26  54.57) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.72 +/- 2.26   0.186% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  19.67 +/- 2.24   0.195% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  30.11 +/- 3.41   0.062% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  28.32 +/- 3.03   0.064% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 51.7:
          HN    GLU-  36 - HB3   ASN   35   2.82 +/- 0.18  90.552% * 92.4197% (0.97   5.91  51.98) =  99.457%  kept
          HN    THR   39 - HB3   ASN   35   6.89 +/- 0.49   6.512% *  6.9104% (0.90   0.48   0.02) =   0.535%  kept
          HN    LYS+ 102 - HB3   ASN   35  12.40 +/- 3.87   1.841% *  0.2707% (0.84   0.02   0.02) =   0.006%
          HD1   TRP   87 - HB3   ASN   35  20.04 +/- 3.24   0.298% *  0.2991% (0.92   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   ASN   35  14.03 +/- 0.64   0.796% *  0.1000% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 54.6:
      O   HN    ASN   35 - HB3   ASN   35   2.28 +/- 0.12  99.669% * 99.9102% (0.97  10.0   5.87  54.57) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  20.92 +/- 5.55   0.331% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 54.6:
      O   HD22  ASN   35 - HB3   ASN   35   3.52 +/- 0.09 100.000% *100.0000% (0.99  10.0   3.26  54.57) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.92, support = 6.0, residual support = 51.5:
          HN    GLU-  36 - HB2   ASN   35   3.77 +/- 0.21  72.832% * 94.8971% (0.92   6.05  51.98) =  99.155%  kept
          HN    THR   39 - HB2   ASN   35   6.88 +/- 0.48  13.167% *  4.2527% (0.53   0.48   0.02) =   0.803%  kept
          HN    LYS+ 102 - HB2   ASN   35  11.53 +/- 3.96   6.738% *  0.3392% (1.00   0.02   0.02) =   0.033%
          HN    GLU-  36 - HB2   ASN   28  12.43 +/- 0.84   2.185% *  0.0976% (0.29   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB2   ASN   35  19.97 +/- 3.59   0.682% *  0.1925% (0.57   0.02   0.02) =   0.002%
          HD1   TRP   87 - HB2   ASN   28  14.84 +/- 4.62   1.972% *  0.0599% (0.18   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   ASN   28  17.76 +/- 4.56   1.102% *  0.1055% (0.31   0.02   0.02) =   0.002%
          HN    THR   39 - HB2   ASN   28  14.54 +/- 0.85   1.322% *  0.0556% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.56, residual support = 86.4:
      O T HA    GLU-  36 - QB    GLU-  36   2.47 +/- 0.16  97.447% * 99.4140% (0.84  10.0 10.00   5.56  86.37) =  99.996%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.06 +/- 1.35   0.910% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+  66 - QB    GLU-  36  19.11 +/- 2.76   0.390% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  22.45 +/- 2.93   0.180% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  25.81 +/- 7.17   0.246% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  19.42 +/- 4.67   0.262% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  21.80 +/- 2.61   0.177% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  26.94 +/- 3.23   0.092% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  31.45 +/- 7.07   0.201% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  26.90 +/- 3.06   0.094% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.446, support = 3.67, residual support = 18.3:
          HN    SER   37 - QB    GLU-  36   3.24 +/- 0.27  60.493% * 91.3399% (0.45   3.71  18.60) =  98.661%  kept
          HN    LYS+  33 - QB    GLU-  36   5.26 +/- 0.33  14.646% *  4.8511% (0.28   0.32   0.02) =   1.269%  kept
          HN    LYS+  33 - HB3   GLU-  29   5.45 +/- 1.06  19.744% *  0.0945% (0.09   0.02   0.02) =   0.033%
          HN    CYS   21 - QB    GLU-  36  14.79 +/- 1.94   0.801% *  1.0586% (0.97   0.02   0.02) =   0.015%
          HN    CYS   21 - HB3   GLU-  29  10.82 +/- 0.92   1.684% *  0.3279% (0.30   0.02   0.02) =   0.010%
          HN    SER   37 - HB3   GLU-  29  11.28 +/- 1.53   1.913% *  0.1523% (0.14   0.02   0.02) =   0.005%
          HN    ILE  119 - QB    GLU-  36  24.41 +/- 3.67   0.171% *  0.9515% (0.87   0.02   0.02) =   0.003%
          HN    ILE   89 - QB    GLU-  36  22.92 +/- 1.45   0.183% *  0.7096% (0.65   0.02   0.02) =   0.002%
          HN    ILE   89 - HB3   GLU-  29  21.81 +/- 3.57   0.238% *  0.2198% (0.20   0.02   0.02) =   0.001%
          HN    ILE  119 - HB3   GLU-  29  27.16 +/- 3.86   0.126% *  0.2948% (0.27   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 7.3, residual support = 86.3:
      O   HN    GLU-  36 - QB    GLU-  36   2.08 +/- 0.08  93.467% * 96.6023% (0.69  10.0   7.31  86.37) =  99.873%  kept
          HN    THR   39 - QB    GLU-  36   6.13 +/- 0.33   3.679% *  3.0931% (0.28   1.0   1.58   0.80) =   0.126%  kept
          HN    LYS+ 102 - QB    GLU-  36  13.90 +/- 2.69   0.424% *  0.1220% (0.87   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   GLU-  29   9.82 +/- 1.32   1.146% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.84 +/- 4.68   0.198% *  0.0378% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.76 +/- 1.68   0.538% *  0.0121% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.04 +/- 1.77   0.172% *  0.0351% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  20.25 +/- 2.13   0.113% *  0.0434% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  18.92 +/- 4.34   0.169% *  0.0134% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.46 +/- 2.15   0.094% *  0.0109% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.82, residual support = 86.4:
          HN    GLU-  36 - HG2   GLU-  36   3.72 +/- 0.36  97.840% * 98.3911% (0.28   4.82  86.37) =  99.983%  kept
          HN    LYS+ 102 - HG2   GLU-  36  16.28 +/- 2.98   1.544% *  0.6586% (0.45   0.02   0.02) =   0.011%
          HN    ASP- 105 - HG2   GLU-  36  21.32 +/- 2.03   0.616% *  0.9503% (0.65   0.02   0.02) =   0.006%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.682, support = 4.78, residual support = 85.4:
          HN    GLU-  36 - HG3   GLU-  36   3.85 +/- 0.48  81.851% * 91.1271% (0.69   4.82  86.37) =  98.907%  kept
          HN    THR   39 - HG3   GLU-  36   7.92 +/- 1.19  10.270% *  7.9239% (0.28   1.04   0.80) =   1.079%  kept
          HN    LYS+ 102 - HG3   GLU-  36  16.41 +/- 3.04   1.489% *  0.4777% (0.87   0.02   0.02) =   0.009%
          HN    GLU-  36 - QB    MET   11  17.56 +/- 5.25   2.594% *  0.0471% (0.09   0.02   0.02) =   0.002%
          HN    ASP- 105 - HG3   GLU-  36  21.29 +/- 2.26   0.645% *  0.1373% (0.25   0.02   0.02) =   0.001%
          HD1   TRP   87 - HG3   GLU-  36  23.92 +/- 3.01   0.371% *  0.1700% (0.31   0.02   0.02) =   0.001%
          HN    THR   39 - QB    MET   11  17.47 +/- 4.87   1.549% *  0.0191% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.19 +/- 5.52   0.393% *  0.0595% (0.11   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  27.25 +/- 6.33   0.502% *  0.0212% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  26.80 +/- 4.28   0.335% *  0.0171% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.05, residual support = 86.4:
      O   HN    GLU-  36 - HA    GLU-  36   2.80 +/- 0.03  98.824% * 99.6076% (0.28  10.0   6.05  86.37) =  99.998%  kept
          HN    LYS+ 102 - HA    GLU-  36  14.68 +/- 2.64   0.878% *  0.1606% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ASP- 105 - HA    GLU-  36  19.85 +/- 1.66   0.298% *  0.2318% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.8, residual support = 29.8:
      O   HN    SER   37 - HB2   SER   37   3.07 +/- 0.42  97.128% * 99.7690% (0.98  10.0   3.80  29.80) =  99.998%  kept
          HN    CYS   21 - HB2   SER   37  14.96 +/- 2.78   2.231% *  0.0418% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ILE  119 - HB2   SER   37  22.96 +/- 3.77   0.391% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  24.12 +/- 1.70   0.250% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.523, support = 0.02, residual support = 0.02:
          HN    GLU-  29 - HB3   SER   37  13.19 +/- 1.50  12.247% * 22.4691% (0.82   0.02   0.02) =  24.301%  kept
          HN    GLN   30 - HB3   SER   37  11.10 +/- 1.52  20.767% * 12.9780% (0.47   0.02   0.02) =  23.800%  kept
          HN    GLU-  29 - QB    SER   13  16.04 +/- 4.87  11.825% * 17.1942% (0.63   0.02   0.02) =  17.955%  kept
          HN    GLN   30 - QB    SER   13  14.59 +/- 4.35  12.838% *  9.9312% (0.36   0.02   0.02) =  11.260%  kept
          HN    VAL   18 - QB    SER   13  10.30 +/- 2.14  25.638% *  4.8772% (0.18   0.02   0.02) =  11.042%  kept
          HN    VAL   18 - HB3   SER   37  14.39 +/- 3.56  13.081% *  6.3735% (0.23   0.02   0.02) =   7.363%  kept
          HN    ASP-  86 - HB3   SER   37  23.69 +/- 2.92   2.173% * 14.8290% (0.54   0.02   0.02) =   2.846%  kept
          HN    ASP-  86 - QB    SER   13  26.91 +/- 4.39   1.430% * 11.3477% (0.41   0.02   0.02) =   1.433%  kept
    Distance limit 3.90 A violated in 18 structures by 4.33 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.914, support = 6.63, residual support = 217.5:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.01  79.706% * 91.8558% (0.92  10.0   6.63 220.28) =  98.617%  kept
          HN    SER   37 - HA    LYS+  38   4.09 +/- 0.14  12.755% *  8.0486% (0.25   1.0   6.49  20.57) =   1.383%  kept
          HN    LYS+  38 - HA    GLU- 100   8.18 +/- 3.01   3.705% *  0.0056% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.63 +/- 0.89   0.823% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   9.56 +/- 3.14   1.866% *  0.0015% (0.02   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  20.74 +/- 2.59   0.119% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  28.52 +/- 3.40   0.045% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  12.64 +/- 4.10   0.774% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.45 +/- 3.37   0.161% *  0.0012% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  28.41 +/- 3.44   0.048% *  0.0029% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.43, residual support = 23.7:
      O   HN    THR   39 - HA    LYS+  38   3.04 +/- 0.07  62.738% * 94.2824% (0.92  10.0   6.48  23.91) =  98.962%  kept
          HN    GLU-  36 - HA    LYS+  38   5.42 +/- 0.19  11.255% *  5.4799% (0.95   1.0   1.13   1.77) =   1.032%  kept
          HN    LYS+ 102 - HA    LYS+  38  10.62 +/- 2.38   2.183% *  0.0818% (0.80   1.0   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HA    GLU- 100   5.53 +/- 0.57  11.588% *  0.0049% (0.05   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    GLU- 100   8.07 +/- 2.81   7.306% *  0.0057% (0.06   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    LYS+  38  20.36 +/- 2.38   0.229% *  0.0966% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100  10.07 +/- 3.44   3.511% *  0.0058% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.31 +/- 1.15   0.452% *  0.0348% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  17.64 +/- 2.34   0.358% *  0.0058% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  18.25 +/- 3.43   0.379% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.21, residual support = 20.6:
          HN    SER   37 - HB2   LYS+  38   4.70 +/- 0.15  96.656% * 99.1954% (1.00   5.21  20.57) =  99.992%  kept
          HN    ILE  119 - HB2   LYS+  38  24.09 +/- 3.74   0.905% *  0.3058% (0.80   0.02   0.02) =   0.003%
          HN    ILE   89 - HB2   LYS+  38  25.65 +/- 1.78   0.637% *  0.3686% (0.97   0.02   0.02) =   0.002%
          HN    CYS   21 - HB2   LYS+  38  19.06 +/- 2.24   1.802% *  0.1303% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.90 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.486, support = 5.57, residual support = 21.9:
          HN    THR   39 - HB2   LYS+  38   4.30 +/- 0.16  73.020% * 75.1096% (0.45   6.04  23.91) =  90.847%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.47 +/- 0.38  22.865% * 24.0760% (0.87   1.00   1.77) =   9.118%  kept
          HN    LYS+ 102 - HB2   LYS+  38  12.61 +/- 1.96   3.578% *  0.5441% (0.98   0.02   0.02) =   0.032%
          HD1   TRP   87 - HB2   LYS+  38  22.89 +/- 2.32   0.538% *  0.2702% (0.49   0.02   0.02) =   0.002%
    Distance limit 3.40 A violated in 0 structures by 0.83 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.754, support = 5.75, residual support = 198.5:
          HN    LYS+  38 - HG2   LYS+  38   3.30 +/- 0.28  69.245% * 71.6369% (0.80   5.85 220.28) =  89.119%  kept
          HN    SER   37 - HG2   LYS+  38   4.90 +/- 0.13  21.578% * 28.0458% (0.38   4.89  20.57) =  10.873%  kept
          HN    LYS+  38 - HG2   LYS+  99   9.90 +/- 2.43   4.727% *  0.0667% (0.22   0.02   0.02) =   0.006%
          HN    SER   37 - HG2   LYS+  99  11.39 +/- 2.67   3.637% *  0.0313% (0.10   0.02   0.02) =   0.002%
          HN    ILE   89 - HG2   LYS+  38  25.15 +/- 1.89   0.172% *  0.0681% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  30.29 +/- 3.67   0.111% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  20.22 +/- 1.74   0.346% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  26.64 +/- 3.78   0.185% *  0.0284% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 192.1:
          HN    LYS+  38 - HG3   LYS+  38   4.27 +/- 0.13  62.896% * 69.5831% (0.80   5.79 220.28) =  85.914%  kept
          HN    SER   37 - HG3   LYS+  38   5.92 +/- 0.19  23.756% * 30.1932% (0.38   5.36  20.57) =  14.080%  kept
          HN    LYS+  38 - HG3   LYS+  99  10.35 +/- 2.18   6.799% *  0.0251% (0.08   0.02   0.02) =   0.003%
          HN    SER   37 - HG3   LYS+  99  11.83 +/- 2.39   4.926% *  0.0118% (0.04   0.02   0.02) =   0.001%
          HN    ARG+  54 - HG3   LYS+  38  30.52 +/- 3.99   0.221% *  0.1024% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  25.55 +/- 1.84   0.310% *  0.0668% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  20.00 +/- 1.93   0.677% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  26.47 +/- 3.93   0.415% *  0.0107% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.959, support = 3.72, residual support = 36.4:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.03  77.233% * 94.8206% (0.97  10.0   3.72  36.47) =  99.112%  kept
          HN    LYS+ 102 - HA    ILE  103   5.17 +/- 0.32  13.679% *  4.7575% (0.24   1.0   4.04  23.64) =   0.881%  kept
          HN    GLU-  36 - HA    THR   39   8.26 +/- 0.31   3.259% *  0.0881% (0.90   1.0   0.02   0.80) =   0.004%
          HN    LYS+ 102 - HA    THR   39  11.75 +/- 1.59   1.337% *  0.0713% (0.73   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    ILE  103  12.22 +/- 2.83   1.431% *  0.0318% (0.32   1.0   0.02   0.39) =   0.001%
          HN    THR   39 - HA    ILE  103  13.15 +/- 1.32   0.902% *  0.0313% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  19.61 +/- 2.06   0.261% *  0.0963% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  15.84 +/- 1.12   0.483% *  0.0404% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.66 +/- 2.07   0.542% *  0.0291% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.81 +/- 3.00   0.394% *  0.0133% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.51 +/- 1.65   0.364% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.47 +/- 1.46   0.115% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.16, residual support = 24.0:
      O   HN    LEU   40 - HA    THR   39   2.27 +/- 0.06  93.224% * 99.8247% (0.57  10.0   4.16  24.03) =  99.996%  kept
          HN    GLY  101 - HA    ILE  103   6.46 +/- 0.52   4.390% *  0.0353% (0.20   1.0   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    THR   39  10.09 +/- 1.66   1.389% *  0.1069% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LEU   40 - HA    ILE  103  11.12 +/- 1.34   0.996% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.66, residual support = 36.5:
      O   HN    THR   39 - HB    THR   39   2.75 +/- 0.54  91.191% * 99.6727% (0.97  10.0   3.66  36.47) =  99.992%  kept
          HN    GLU-  36 - HB    THR   39   7.24 +/- 0.83   5.585% *  0.0926% (0.90   1.0   0.02   0.80) =   0.006%
          HN    LYS+ 102 - HB    THR   39  12.58 +/- 1.86   1.476% *  0.0750% (0.73   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    THR   39  18.73 +/- 2.21   0.467% *  0.1012% (0.98   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB    THR   39  13.74 +/- 1.24   1.081% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HB    THR   39  24.75 +/- 1.77   0.199% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.06, residual support = 24.0:
          HN    LEU   40 - HB    THR   39   3.79 +/- 0.52  93.887% * 99.9120% (0.98   4.06  24.03) =  99.994%  kept
          HN    GLY  101 - HB    THR   39  10.93 +/- 1.72   6.113% *  0.0880% (0.18   0.02   0.02) =   0.006%
    Distance limit 3.90 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.588, support = 0.169, residual support = 0.162:
          HN    LEU   71 - QG2   THR   39   4.73 +/- 1.70  54.427% * 49.4391% (0.60   0.18   0.17) =  94.455%  kept
          HN    GLU- 114 - QB    ALA   91  11.49 +/- 1.89   6.919% *  3.7468% (0.40   0.02   0.02) =   0.910%  kept
          HN    THR  118 - QG2   THR   39  17.14 +/- 2.87   4.363% *  4.5829% (0.49   0.02   0.02) =   0.702%  kept
          HN    GLN  116 - QG2   THR   39  18.34 +/- 2.25   2.800% *  6.7613% (0.72   0.02   0.02) =   0.665%  kept
          HN    GLU- 114 - QG2   THR   39  20.09 +/- 2.29   1.915% *  7.9345% (0.85   0.02   0.02) =   0.533%  kept
          HN    PHE   60 - QG2   THR   39  14.59 +/- 2.18   5.205% *  2.7612% (0.30   0.02   0.02) =   0.504%  kept
          HN    GLN  116 - QB    ALA   91  12.90 +/- 1.90   3.957% *  3.1928% (0.34   0.02   0.02) =   0.444%  kept
          HN    LEU   71 - QG2   THR   23  15.44 +/- 1.22   3.135% *  3.1202% (0.33   0.02   0.02) =   0.343%  kept
          HN    GLU- 114 - QG2   THR   23  23.21 +/- 2.72   1.665% *  4.4524% (0.48   0.02   0.02) =   0.260%  kept
          HN    GLN  116 - QG2   THR   23  22.23 +/- 3.05   1.845% *  3.7941% (0.41   0.02   0.02) =   0.246%  kept
          HN    PHE   60 - QG2   THR   23  17.53 +/- 3.11   4.188% *  1.5494% (0.17   0.02   0.02) =   0.228%  kept
          HN    THR  118 - QB    ALA   91  14.42 +/- 1.91   2.985% *  2.1641% (0.23   0.02   0.02) =   0.227%  kept
          HN    LEU   71 - QB    ALA   91  18.93 +/- 1.88   2.337% *  2.6257% (0.28   0.02   0.02) =   0.215%  kept
          HN    THR  118 - QG2   THR   23  22.72 +/- 3.00   1.631% *  2.5717% (0.28   0.02   0.02) =   0.147%  kept
          HN    PHE   60 - QB    ALA   91  14.33 +/- 2.35   2.626% *  1.3039% (0.14   0.02   0.02) =   0.120%  kept
    Distance limit 3.45 A violated in 7 structures by 1.35 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.94, residual support = 24.0:
          HN    LEU   40 - QG2   THR   39   2.97 +/- 0.66  98.730% * 99.4787% (0.66   3.94  24.03) =  99.997%  kept
          HN    LEU   40 - QG2   THR   23  16.91 +/- 1.29   0.826% *  0.2831% (0.37   0.02   0.02) =   0.002%
          HN    LEU   40 - QB    ALA   91  20.78 +/- 1.25   0.444% *  0.2382% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.50 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 = 0.594, support = 3.1, residual support = 14.1:
      O   HN    ALA   91 - QB    ALA   91   2.23 +/- 0.19  56.943% * 88.4649% (0.61  10.0   3.07  12.87) =  94.798%  kept
          HN    THR   39 - QG2   THR   39   3.12 +/- 0.55  27.090% *  9.9659% (0.38   1.0   3.61  36.47) =   5.081%  kept
          HN    TRP   27 - QG2   THR   23   4.65 +/- 0.85   8.780% *  0.6990% (0.10   1.0   0.99   1.28) =   0.115%  kept
          HD1   TRP   87 - QB    ALA   91   9.21 +/- 0.77   0.973% *  0.1115% (0.76   1.0   0.02   0.02) =   0.002%
          HN    GLU-  36 - QG2   THR   39   6.86 +/- 0.80   2.063% *  0.0258% (0.18   1.0   0.02   0.80) =   0.001%
          HN    TRP   27 - QG2   THR   39  11.87 +/- 1.46   0.401% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  18.08 +/- 2.52   0.145% *  0.1346% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  15.05 +/- 2.55   0.248% *  0.0767% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.10 +/- 0.86   0.501% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  13.73 +/- 2.31   0.318% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.95 +/- 1.60   0.678% *  0.0153% (0.11   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  15.92 +/- 2.15   0.168% *  0.0526% (0.36   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.92 +/- 1.19   0.053% *  0.1168% (0.80   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  15.45 +/- 2.90   0.211% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  14.86 +/- 3.81   0.281% *  0.0117% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  20.78 +/- 1.71   0.072% *  0.0418% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.37 +/- 1.30   0.088% *  0.0325% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.66 +/- 1.12   0.044% *  0.0547% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  16.28 +/- 1.20   0.149% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.13 +/- 2.70   0.211% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  18.47 +/- 2.95   0.133% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.45 +/- 1.03   0.177% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  17.38 +/- 3.77   0.176% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  20.31 +/- 3.13   0.097% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.866, support = 3.14, residual support = 9.25:
          HN    MET   92 - QB    ALA   91   3.01 +/- 0.31  72.356% * 96.6063% (0.87   3.14   9.26) =  99.874%  kept
          HN    THR   46 - QB    ALA   91   8.23 +/- 1.64   5.602% *  0.6955% (0.98   0.02   0.02) =   0.056%
          HN    LYS+  74 - QG2   THR   39  10.09 +/- 2.16   9.638% *  0.2906% (0.41   0.02   0.02) =   0.040%
          HN    LYS+ 112 - QB    ALA   91  10.05 +/- 2.23   3.762% *  0.2420% (0.34   0.02   0.02) =   0.013%
          HN    LYS+  74 - QB    ALA   91  15.37 +/- 1.70   0.618% *  0.6155% (0.87   0.02   0.02) =   0.005%
          HN    LYS+  74 - QG2   THR   23   9.34 +/- 2.08   3.136% *  0.0647% (0.09   0.02   0.02) =   0.003%
          HN    THR   46 - QG2   THR   39  15.95 +/- 1.50   0.591% *  0.3284% (0.46   0.02   0.02) =   0.003%
          HN    MET   11 - QG2   THR   39  15.93 +/- 4.16   0.794% *  0.1763% (0.25   0.02   0.02) =   0.002%
          HN    THR   46 - QG2   THR   23  13.98 +/- 2.74   1.099% *  0.0731% (0.10   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   39  21.40 +/- 1.51   0.224% *  0.2906% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QB    ALA   91  30.08 +/- 5.60   0.158% *  0.3733% (0.53   0.02   0.02) =   0.001%
          HN    MET   11 - QG2   THR   23  16.28 +/- 5.06   1.071% *  0.0392% (0.06   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   39  20.57 +/- 2.62   0.337% *  0.1143% (0.16   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   23  18.31 +/- 2.96   0.368% *  0.0647% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  22.24 +/- 3.18   0.246% *  0.0254% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.664, support = 5.0, residual support = 73.7:
          HA    LEU   40 - QD2   LEU   40   2.62 +/- 0.60  53.869% * 63.0089% (0.61   6.03 100.54) =  70.192%  kept
          HA    LYS+  99 - QD2   LEU   40   3.43 +/- 1.20  40.661% * 35.4135% (0.80   2.57  10.62) =  29.778%  kept
          HA    LEU  123 - QD2   LEU   40  13.65 +/- 5.53   1.649% *  0.3415% (0.99   0.02   0.02) =   0.012%
          HA    ASN   35 - QD2   LEU   40   8.63 +/- 0.97   1.608% *  0.3180% (0.92   0.02   0.02) =   0.011%
          HA    PRO   58 - QD2   LEU   40  13.89 +/- 3.40   0.702% *  0.1545% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  15 - QD2   LEU   40  13.06 +/- 2.51   0.679% *  0.1416% (0.41   0.02   0.02) =   0.002%
          HA    ILE   56 - QD2   LEU   40  16.49 +/- 2.26   0.265% *  0.3259% (0.95   0.02   0.02) =   0.002%
          HA    ASP- 113 - QD2   LEU   40  16.29 +/- 1.92   0.346% *  0.1545% (0.45   0.02   0.02) =   0.001%
          HA    SER   13 - QD2   LEU   40  17.47 +/- 2.59   0.222% *  0.1416% (0.41   0.02   0.02) =   0.001%
    Distance limit 2.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.979, support = 4.44, residual support = 98.7:
          HA    LEU   40 - QD1   LEU   40   3.58 +/- 0.59  53.431% * 91.1792% (0.99   4.52 100.54) =  98.010%  kept
          HA    LYS+  99 - QD1   LEU   40   5.40 +/- 1.36  21.575% *  2.9301% (0.31   0.47  10.62) =   1.272%  kept
          HA    LEU  123 - QD1   LEU   40  12.57 +/- 5.66   7.983% *  4.0010% (0.61   0.32   0.02) =   0.643%  kept
          HA    PRO   58 - QD1   LEU   40  12.75 +/- 2.51   2.435% *  0.3756% (0.92   0.02   0.02) =   0.018%
          HA    GLU-  15 - QD1   LEU   40  11.66 +/- 2.53   2.206% *  0.3649% (0.90   0.02   0.02) =   0.016%
          HA    ASN   35 - QD1   LEU   40   9.47 +/- 1.00   3.653% *  0.1824% (0.45   0.02   0.02) =   0.013%
          HA    GLN   17 - QD1   LEU   40  10.22 +/- 2.14   3.426% *  0.1256% (0.31   0.02   0.02) =   0.009%
          HA    SER   37 - QD1   LEU   40  10.49 +/- 0.90   2.672% *  0.1256% (0.31   0.02   0.48) =   0.007%
          HA    SER   13 - QD1   LEU   40  16.04 +/- 2.85   0.747% *  0.3649% (0.90   0.02   0.02) =   0.005%
          HA    ILE   56 - QD1   LEU   40  15.44 +/- 1.90   0.885% *  0.1980% (0.49   0.02   0.02) =   0.004%
          HA    THR   46 - QD1   LEU   40  14.19 +/- 1.30   0.987% *  0.1527% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 0.376, residual support = 0.358:
        T HB3   HIS  122 - QD1   LEU   40   9.61 +/- 5.55  34.180% * 95.0611% (0.69 10.00   0.38   0.37) =  97.094%  kept
          QE    LYS+ 121 - QD1   LEU   40  10.25 +/- 3.72  21.936% *  4.0425% (0.34  1.00   0.32   0.02) =   2.650%  kept
          HB3   ASP-  78 - QD1   LEU   40  17.63 +/- 1.92   5.919% *  0.6555% (0.90  1.00   0.02   0.02) =   0.116%  kept
          QE    LYS+  74 - QD1   LEU   40  10.60 +/- 1.65  26.105% *  0.1280% (0.18  1.00   0.02   0.02) =   0.100%
          QB    CYS   50 - QD1   LEU   40  15.70 +/- 2.78  11.858% *  0.1128% (0.15  1.00   0.02   0.02) =   0.040%
    Distance limit 3.81 A violated in 14 structures by 4.33 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.914, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   9.52 +/- 2.29  38.426% * 27.6510% (1.00   0.02   0.02) =  42.376%  kept
          QD    PHE   59 - QD1   LEU   40   9.43 +/- 1.55  39.299% * 23.0961% (0.84   0.02   0.02) =  36.200%  kept
          HD1   TRP   27 - QD1   LEU   40  12.73 +/- 1.87  14.863% * 23.0961% (0.84   0.02   0.02) =  13.691%  kept
          HH2   TRP   49 - QD1   LEU   40  18.48 +/- 3.38   7.413% * 26.1568% (0.95   0.02   0.02) =   7.733%  kept
    Distance limit 3.84 A violated in 20 structures by 3.88 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.912, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40  10.27 +/- 2.17  37.774% * 27.6510% (1.00   0.02   0.02) =  41.731%  kept
          QD    PHE   59 - QD2   LEU   40  10.39 +/- 1.87  37.673% * 23.0961% (0.84   0.02   0.02) =  34.763%  kept
          HD1   TRP   27 - QD2   LEU   40  12.83 +/- 1.47  17.596% * 23.0961% (0.84   0.02   0.02) =  16.237%  kept
          HH2   TRP   49 - QD2   LEU   40  19.30 +/- 2.88   6.956% * 26.1568% (0.95   0.02   0.02) =   7.269%  kept
    Distance limit 3.65 A violated in 20 structures by 4.79 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.62, residual support = 20.2:
          HN    VAL   41 - QD2   LEU   40   2.77 +/- 0.73 100.000% *100.0000% (0.73   4.62  20.19) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.66, residual support = 9.4:
          HN    LEU   98 - QD2   LEU   40   3.43 +/- 0.81 100.000% *100.0000% (0.97   4.66   9.40) = 100.000%  kept
    Distance limit 3.61 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.82, residual support = 100.5:
      O   HN    LEU   40 - HB3   LEU   40   2.34 +/- 0.40  97.457% * 99.9683% (0.98  10.0   4.82 100.54) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   9.53 +/- 1.60   1.848% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  17.73 +/- 2.28   0.485% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.20 +/- 1.62   0.210% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.61, residual support = 100.5:
      O   HN    LEU   40 - HB2   LEU   40   2.72 +/- 0.33  95.004% * 99.9908% (0.76  10.0   4.61 100.54) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   8.67 +/- 1.62   4.996% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.8, support = 3.98, residual support = 35.9:
          QG2   VAL   70 - HB2   LEU   40   4.61 +/- 0.60  47.301% * 99.9538% (0.80   3.99  35.94) =  99.949%  kept
          QG2   VAL   70 - HB2   LEU   67   4.56 +/- 1.23  52.699% *  0.0462% (0.07   0.02   0.02) =   0.051%
    Distance limit 3.60 A violated in 4 structures by 1.02 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.9:
        T QG2   VAL   70 - HB3   LEU   40   3.79 +/- 0.73  88.060% * 99.8828% (0.98 10.00   3.99  35.94) =  99.984%  kept
        T QG2   VAL   70 - HB3   LEU  115  10.36 +/- 2.29  11.940% *  0.1172% (0.12 10.00   0.02   0.02) =   0.016%
    Distance limit 3.74 A violated in 1 structures by 0.29 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.249, support = 4.68, residual support = 87.9:
      O T HA    LEU   40 - HG    LEU   40   3.37 +/- 0.39  39.315% * 64.9188% (0.18  10.0 10.00   5.29 100.54) =  86.628%  kept
          HA    LYS+  99 - HG    LEU   40   5.62 +/- 1.81  16.510% * 10.8756% (0.98   1.0  1.00   0.60  10.62) =   6.094%  kept
          HA    ASP- 113 - HG    LEU  115   5.38 +/- 1.65  17.859% *  9.7534% (0.53   1.0  1.00   0.98   0.02) =   5.912%  kept
          HA    ILE   56 - HG    LEU  115   8.22 +/- 1.67   3.433% *  5.8347% (0.50   1.0  1.00   0.63   0.12) =   0.680%  kept
          HA    PHE   59 - HG    LEU  115   7.24 +/- 1.75  12.036% *  1.2026% (0.20   1.0  1.00   0.33  29.11) =   0.491%  kept
        T HA    ASN   35 - HG    LEU   40  10.58 +/- 0.88   1.301% *  3.3244% (0.90   1.0 10.00   0.02   0.02) =   0.147%  kept
          HA    LEU  123 - HG    LEU   40  16.03 +/- 6.12   0.897% *  0.2833% (0.76   1.0  1.00   0.02   0.02) =   0.009%
        T HA    ASN   35 - HG    LEU  115  24.61 +/- 2.48   0.121% *  1.9247% (0.52   1.0 10.00   0.02   0.02) =   0.008%
          HA    PHE   59 - HG    LEU   40  13.46 +/- 2.45   1.372% *  0.1264% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          HA    ILE   56 - HG    LEU   40  18.87 +/- 2.79   0.414% *  0.3215% (0.87   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LEU   40 - HG    LEU  115  18.08 +/- 2.26   0.325% *  0.3759% (0.10   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG    LEU  115  14.76 +/- 1.43   0.594% *  0.1640% (0.44   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP- 113 - HG    LEU   40  19.13 +/- 2.37   0.269% *  0.3422% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HG    LEU  115  18.43 +/- 1.82   0.294% *  0.2104% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    ASP- 113 - HG    LEU   73  20.47 +/- 5.45   0.912% *  0.0638% (0.17   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU   73  14.59 +/- 2.91   0.728% *  0.0677% (0.18   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HG    LEU   73  18.22 +/- 4.25   0.656% *  0.0599% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG    LEU   73  14.66 +/- 2.14   0.585% *  0.0620% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   59 - HG    LEU   73  14.87 +/- 2.45   0.789% *  0.0236% (0.06   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG    LEU   73  12.00 +/- 1.88   1.401% *  0.0121% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   73  21.98 +/- 3.70   0.186% *  0.0528% (0.14   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.967, support = 6.49, residual support = 35.4:
        T QG2   VAL   70 - HG    LEU   40   3.20 +/- 0.89  87.303% * 83.8767% (0.98 10.00   6.56  35.94) =  98.350%  kept
        T QG2   VAL   70 - HG    LEU   73   8.39 +/- 0.92   7.702% * 15.6376% (0.18 10.00   2.38   0.76) =   1.618%  kept
        T QG2   VAL   70 - HG    LEU  115  11.10 +/- 2.13   4.994% *  0.4856% (0.57 10.00   0.02   0.02) =   0.033%
    Distance limit 3.49 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 35.9:
          QG2   VAL   70 - QD1   LEU   40   2.34 +/- 0.59 100.000% *100.0000% (0.80   3.47  35.94) = 100.000%  kept
    Distance limit 2.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.42, residual support = 35.9:
          QG2   VAL   70 - QD2   LEU   40   3.93 +/- 0.83 100.000% *100.0000% (0.53   4.42  35.94) = 100.000%  kept
    Distance limit 3.26 A violated in 4 structures by 0.77 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  10.79 +/- 1.84 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.64 A violated in 20 structures by 8.15 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.733, support = 4.64, residual support = 100.5:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  63.056% * 41.4375% (0.65  10.0 10.00   4.09 100.54) =  65.545%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.98 +/- 0.28  23.894% * 57.4464% (0.90  10.0  1.00   5.69 100.54) =  34.433%  kept
          HG    LEU   67 - QD2   LEU   40   8.46 +/- 2.36   9.137% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.011%
        T HG    LEU  115 - QD2   LEU   40  13.01 +/- 1.81   0.325% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.005%
        T HG    LEU   73 - QD2   LEU   40  10.53 +/- 1.93   0.855% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  74 - QD2   LEU   40  12.57 +/- 1.57   0.371% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA  120 - QD2   LEU   40  12.02 +/- 3.23   0.591% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QD2   LEU   40   8.96 +/- 1.61   1.327% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD2   LEU   40  12.18 +/- 1.74   0.443% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 2.16, residual support = 10.6:
        T HB3   LYS+  99 - QD2   LEU   40   3.79 +/- 1.26  52.432% * 42.6781% (0.22 10.00   1.89  10.62) =  52.989%  kept
        T HB2   LYS+  99 - QD2   LEU   40   4.44 +/- 1.10  35.169% * 56.2676% (0.28 10.00   2.47  10.62) =  46.860%  kept
          HB    VAL   43 - QD2   LEU   40   8.32 +/- 0.90   7.229% *  0.8379% (0.38  1.00   0.22   0.02) =   0.143%  kept
          HB    ILE   89 - QD2   LEU   40  14.13 +/- 1.31   1.586% *  0.1227% (0.61  1.00   0.02   0.02) =   0.005%
          QG1   ILE   56 - QD2   LEU   40  12.59 +/- 2.09   2.878% *  0.0312% (0.15  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - QD2   LEU   40  18.03 +/- 2.45   0.707% *  0.0625% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.08 A violated in 2 structures by 0.52 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 0.02, residual support = 0.165:
          HB2   HIS  122 - QD2   LEU   40  10.31 +/- 6.00  42.268% * 19.5836% (0.31   0.02   0.37) =  41.592%  kept
          HA    LYS+ 112 - QD2   LEU   40  14.57 +/- 1.45  13.957% * 35.9222% (0.57   0.02   0.02) =  25.191%  kept
          HA    LEU   63 - QD2   LEU   40   9.77 +/- 1.58  35.934% * 11.1120% (0.18   0.02   0.02) =  20.063%  kept
          HB2   HIS   22 - QD2   LEU   40  17.93 +/- 1.52   7.842% * 33.3822% (0.53   0.02   0.02) =  13.154%  kept
    Distance limit 3.61 A violated in 15 structures by 3.83 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.692, support = 3.33, residual support = 10.4:
          QE    LYS+  99 - QD2   LEU   40   3.45 +/- 1.33  69.613% * 86.3337% (0.69   3.39  10.62) =  98.143%  kept
          QE    LYS+  38 - QD2   LEU   40   7.93 +/- 1.14   7.484% * 12.9239% (0.92   0.38   0.53) =   1.579%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.85 +/- 2.04  22.904% *  0.7424% (1.00   0.02   0.02) =   0.278%  kept
    Distance limit 4.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.841, support = 1.22, residual support = 1.63:
        T HB3   PHE   97 - QD2   LEU   40   4.48 +/- 1.42  56.587% * 91.3683% (0.84 10.00   1.23   1.69) =  95.912%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.06 +/- 1.26  26.626% *  8.2213% (0.99  1.00   0.93   0.02) =   4.061%  kept
          QG    GLU-  79 - QD2   LEU   40  14.21 +/- 3.40   4.427% *  0.1150% (0.65  1.00   0.02   0.02) =   0.009%
          QG    GLN   32 - QD2   LEU   40  11.53 +/- 1.30   5.517% *  0.0606% (0.34  1.00   0.02   0.02) =   0.006%
          HB2   PRO   58 - QD2   LEU   40  15.04 +/- 3.26   4.996% *  0.0667% (0.38  1.00   0.02   0.02) =   0.006%
          HB2   GLN  116 - QD2   LEU   40  15.20 +/- 1.82   1.846% *  0.1681% (0.95  1.00   0.02   0.02) =   0.006%
    Distance limit 4.30 A violated in 1 structures by 0.37 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.834, support = 4.44, residual support = 100.4:
      O T HB2   LEU   40 - QD1   LEU   40   2.76 +/- 0.36  74.783% * 99.2435% (0.84  10.0 10.00   4.44 100.54) =  99.899%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.43 +/- 1.78  13.767% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.091%
          HB    VAL   18 - QD1   LEU   40   9.52 +/- 2.44   6.079% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          HB3   MET   96 - QD1   LEU   40   8.94 +/- 1.43   3.239% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD1   LEU   40  17.47 +/- 4.06   1.053% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  14 - QD1   LEU   40  14.32 +/- 2.90   1.079% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.342, support = 5.43, residual support = 100.3:
      O   HB2   LEU   40 - QD2   LEU   40   2.39 +/- 0.37  87.888% * 96.6350% (0.34  10.0  1.00   5.44 100.54) =  99.739%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.17 +/- 2.01   8.419% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.251%  kept
          HB    VAL   18 - QD2   LEU   40  11.16 +/- 2.40   1.687% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.006%
          HB2   LEU  115 - QD2   LEU   40  12.52 +/- 1.64   1.011% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD2   LEU   40  18.62 +/- 4.05   0.429% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - QD2   LEU   40  16.20 +/- 3.11   0.567% *  0.1379% (0.49   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 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.777, support = 3.92, residual support = 100.5:
      O T HB3   LEU   40 - QD1   LEU   40   2.34 +/- 0.35  41.133% * 57.4671% (0.90  10.0 10.00   3.58 100.54) =  52.221%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.02  52.128% * 41.4524% (0.65  10.0  1.00   4.29 100.54) =  47.737%  kept
        T HG    LEU   67 - QD1   LEU   40   6.82 +/- 2.04   3.347% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.036%
        T HB3   LEU  115 - QD1   LEU   40  11.47 +/- 1.66   0.492% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.005%
          QB    ALA  120 - QD1   LEU   40  11.36 +/- 3.31   0.624% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - QD1   LEU   40  12.30 +/- 1.70   0.330% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   9.83 +/- 1.97   0.972% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.38 +/- 1.83   0.488% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.62 +/- 1.50   0.487% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.927, support = 4.43, residual support = 97.3:
      O T QD1   LEU   40 - HB2   LEU   40   2.76 +/- 0.36  40.936% * 92.1745% (1.00  10.0 10.00   4.44 100.54) =  92.058%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.73 +/- 0.46  42.540% *  7.6201% (0.08  10.0  1.00   4.26  60.56) =   7.909%  kept
          QD2   LEU   67 - HB2   LEU   40   8.45 +/- 2.53   9.395% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.019%
        T QD1   LEU   40 - HB2   LEU   67   6.43 +/- 1.78   6.695% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.014%
          QG1   VAL  108 - HB2   LEU   40  17.23 +/- 1.75   0.192% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.96 +/- 2.78   0.242% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 100.5:
      O T QD1   LEU   40 - HB3   LEU   40   2.34 +/- 0.35  78.039% * 99.7412% (1.00  10.0 10.00   3.58 100.54) =  99.978%  kept
          QD2   LEU   67 - HB3   LEU   40   7.55 +/- 2.21  17.076% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.020%
        T QD1   LEU   40 - HB3   LEU  115  11.47 +/- 1.66   1.028% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - HB3   LEU  115  12.14 +/- 2.59   1.115% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   9.63 +/- 1.98   2.516% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.27 +/- 1.73   0.226% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.865, support = 4.08, residual support = 100.2:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  59.611% * 89.4074% (0.87  10.0 10.00   4.09 100.54) =  99.661%  kept
        T QD1   LEU   67 - HG    LEU   73   8.96 +/- 1.75   1.035% *  6.3699% (0.16   1.0 10.00   0.79   0.02) =   0.123%  kept
          QD1   ILE  119 - HG    LEU  115   5.59 +/- 1.50   7.751% *  0.8370% (0.10   1.0  1.00   1.60   6.90) =   0.121%  kept
        T QD1   LEU   67 - HG    LEU   40   7.02 +/- 1.92   4.224% *  0.8609% (0.84   1.0 10.00   0.02   0.02) =   0.068%
        T QD1   LEU   67 - HG    LEU  115  11.90 +/- 2.60   0.736% *  0.4984% (0.48   1.0 10.00   0.02   0.02) =   0.007%
          QG2   ILE  103 - HG    LEU   40   8.50 +/- 1.71   2.758% *  0.0748% (0.73   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+  74 - HG    LEU   40  14.61 +/- 2.24   0.261% *  0.6252% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU   40 - HG    LEU  115  13.01 +/- 1.81   0.300% *  0.5176% (0.50   1.0 10.00   0.02   0.02) =   0.003%
        T QD2   LEU   40 - HG    LEU   73  10.53 +/- 1.93   0.791% *  0.1667% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HG    LEU   40   6.83 +/- 1.63   4.804% *  0.0181% (0.18   1.0  1.00   0.02   1.73) =   0.002%
        T HG3   LYS+  74 - HG    LEU  115  15.46 +/- 2.42   0.225% *  0.3619% (0.35   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   71 - HG    LEU  115  14.54 +/- 4.96   7.302% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   40  11.39 +/- 1.52   0.502% *  0.0894% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG    LEU   73   7.59 +/- 1.54   2.219% *  0.0167% (0.16   1.0  1.00   0.02   1.79) =   0.001%
          HG3   LYS+  74 - HG    LEU   73   8.25 +/- 1.13   1.706% *  0.0117% (0.11   1.0  1.00   0.02  41.36) =   0.000%
          HB    VAL   75 - HG    LEU  115  13.03 +/- 1.74   0.295% *  0.0518% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.47 +/- 1.60   0.342% *  0.0433% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   7.85 +/- 1.69   3.748% *  0.0034% (0.03   1.0  1.00   0.02   1.76) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.83 +/- 2.85   0.667% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  13.14 +/- 1.92   0.307% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.83 +/- 3.05   0.416% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.863, support = 3.89, residual support = 74.3:
      O T QG2   VAL   41 - QG1   VAL   41   2.04 +/- 0.06  42.616% * 93.1577% (0.87  10.0 10.00   3.95  75.49) =  97.726%  kept
          QD2   LEU   98 - QG1   VAL   41   3.84 +/- 1.59  19.754% *  4.4342% (0.69   1.0  1.00   1.20  24.06) =   2.156%  kept
        T QD1   LEU   73 - QG1   VAL   41   6.53 +/- 1.86   4.037% *  0.3315% (0.31   1.0 10.00   0.02   0.02) =   0.033%
        T QG2   VAL   41 - QG2   VAL   18   9.40 +/- 2.54   1.235% *  0.7119% (0.66   1.0 10.00   0.02   0.02) =   0.022%
          QD1   LEU   80 - QG1   VAL   41   9.62 +/- 2.93   9.247% *  0.0738% (0.69   1.0  1.00   0.02   0.02) =   0.017%
        T QG2   VAL   41 - QD2   LEU  104   6.79 +/- 2.15  10.877% *  0.0500% (0.05   1.0 10.00   0.02   0.02) =   0.013%
        T QD1   LEU   73 - QG2   VAL   18   6.93 +/- 1.84   1.683% *  0.2533% (0.24   1.0 10.00   0.02   0.81) =   0.010%
        T QD1   LEU   63 - QG2   VAL   18   6.98 +/- 0.79   1.238% *  0.2533% (0.24   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   63 - QG2   VAL   18   6.25 +/- 1.25   2.334% *  0.0736% (0.69   1.0  1.00   0.02   0.02) =   0.004%
        T QD1   LEU   63 - QG1   VAL   41   9.51 +/- 1.32   0.498% *  0.3315% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   98 - QD2   LEU  104   5.29 +/- 0.89   3.056% *  0.0396% (0.04   1.0 10.00   0.02  12.12) =   0.003%
          QD2   LEU   63 - QG1   VAL   41   8.78 +/- 1.55   0.692% *  0.0963% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   80 - QG2   VAL   18  10.84 +/- 4.52   0.590% *  0.0564% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - QG2   VAL   18  11.75 +/- 2.81   0.407% *  0.0564% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   80 - QD2   LEU  104  13.32 +/- 3.19   0.329% *  0.0396% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104  10.21 +/- 1.69   0.486% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  11.30 +/- 2.25   0.371% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.86 +/- 2.23   0.550% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.222, support = 1.31, residual support = 7.11:
          QB    ALA   34 - QG2   VAL   41   3.59 +/- 1.74  61.194% * 40.6791% (0.18   1.48   8.36) =  84.985%  kept
          QB    ALA   88 - QG2   VAL   41  12.14 +/- 1.58   5.680% * 43.2488% (0.61   0.45   0.02) =   8.387%  kept
          HG2   LYS+  99 - QG2   VAL   41   8.02 +/- 1.42  13.970% * 10.8247% (0.20   0.35   0.02) =   5.163%  kept
          QG2   THR   77 - QG2   VAL   41  10.47 +/- 1.56  11.953% *  2.9682% (0.95   0.02   0.02) =   1.211%  kept
          HG2   LYS+  38 - QG2   VAL   41   9.23 +/- 1.06   5.014% *  0.8724% (0.28   0.02   0.02) =   0.149%  kept
          QG2   THR   23 - QG2   VAL   41  11.41 +/- 2.00   2.189% *  1.4068% (0.45   0.02   0.02) =   0.105%  kept
    Distance limit 3.25 A violated in 3 structures by 0.44 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.384, support = 2.29, residual support = 21.7:
        T QB    LEU   98 - QG2   VAL   41   4.21 +/- 1.43  32.018% * 72.1608% (0.34 10.00   2.51  24.06) =  90.169%  kept
        T HB2   LEU   80 - QG2   VAL   41  10.09 +/- 2.88   9.285% * 26.0171% (0.80 10.00   0.31   0.02) =   9.427%  kept
          HB3   LYS+  74 - QG2   VAL   41   9.78 +/- 2.18   7.257% *  0.4926% (0.61  1.00   0.08   0.02) =   0.140%  kept
          HG12  ILE   19 - QG2   VAL   41   8.81 +/- 4.13  11.519% *  0.2111% (1.00  1.00   0.02   0.02) =   0.095%
          HG    LEU   80 - QG2   VAL   41   9.75 +/- 2.79   9.135% *  0.2042% (0.97  1.00   0.02   0.02) =   0.073%
          HG    LEU   73 - QG2   VAL   41   7.26 +/- 2.48  13.617% *  0.0653% (0.31  1.00   0.02   0.02) =   0.035%
          HB3   LEU   67 - QG2   VAL   41   9.29 +/- 1.39   3.251% *  0.1453% (0.69  1.00   0.02   0.02) =   0.018%
          HG2   LYS+ 102 - QG2   VAL   41   9.59 +/- 2.34   8.503% *  0.0471% (0.22  1.00   0.02   0.02) =   0.016%
          QB    ALA   61 - QG2   VAL   41  11.13 +/- 2.05   2.092% *  0.1767% (0.84  1.00   0.02   0.02) =   0.014%
          QG    LYS+  66 - QG2   VAL   41  12.48 +/- 1.44   1.126% *  0.1030% (0.49  1.00   0.02   0.02) =   0.005%
          QB    ALA  110 - QG2   VAL   41  15.86 +/- 1.43   0.441% *  0.2074% (0.98  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QG2   VAL   41  15.55 +/- 3.83   0.661% *  0.1369% (0.65  1.00   0.02   0.02) =   0.004%
          QB    ALA   12 - QG2   VAL   41  14.92 +/- 3.88   1.095% *  0.0326% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 3 structures by 0.77 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  11.63 +/- 1.54 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.05 A violated in 20 structures by 8.58 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.67, residual support = 75.5:
      O   HN    VAL   41 - HB    VAL   41   3.14 +/- 0.51 100.000% *100.0000% (0.47  10.0   4.67  75.49) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 2.66, residual support = 23.6:
          HN    LEU   98 - QG1   VAL   41   5.43 +/- 1.73  42.620% * 96.5508% (0.98   2.70  24.06) =  96.202%  kept
          HN    LEU   98 - QD2   LEU  104   4.42 +/- 1.58  55.636% *  2.9031% (0.05   1.51  12.12) =   3.776%  kept
          HN    LEU   98 - QG2   VAL   18  12.92 +/- 2.28   1.743% *  0.5461% (0.75   0.02   0.02) =   0.022%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.551, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.37 +/- 2.11  32.730% * 34.1212% (0.66   0.02   0.02) =  43.978%  kept
          HN    LYS+  66 - HB    VAL   41  14.14 +/- 1.70  21.312% * 29.5320% (0.57   0.02   0.02) =  24.784%  kept
          HN    LYS+  81 - HB    VAL   41  16.24 +/- 3.10  19.549% * 24.2865% (0.47   0.02   0.02) =  18.696%  kept
          QE    PHE   59 - HB    VAL   41  13.70 +/- 2.55  26.409% * 12.0603% (0.23   0.02   0.02) =  12.542%  kept
    Distance limit 3.73 A violated in 20 structures by 6.42 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.31, residual support = 28.5:
      O   HN    VAL   42 - HA    VAL   41   2.24 +/- 0.08  82.560% * 99.1367% (0.98  10.0   5.32  28.54) =  99.859%  kept
          HN    LEU   73 - HA    VAL   41   6.50 +/- 2.15  14.807% *  0.7707% (0.98   1.0   0.16   0.02) =   0.139%  kept
          HN    ILE   19 - HA    VAL   41   9.69 +/- 3.66   2.176% *  0.0613% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HA    VAL   41  13.46 +/- 1.45   0.457% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.01, residual support = 39.8:
      O   HN    VAL   43 - HA    VAL   42   2.25 +/- 0.04  99.822% * 99.9765% (0.90  10.0   5.01  39.75) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  19.05 +/- 1.69   0.178% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.645, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   3.88 +/- 2.16  65.787% * 16.0745% (0.34   0.02   0.02) =  43.091%  kept
          QG2   VAL   83 - QG2   VAL   41   7.73 +/- 2.45  21.728% * 37.7342% (0.80   0.02   0.02) =  33.409%  kept
          QD1   ILE   89 - QG2   VAL   41   8.85 +/- 1.48  12.485% * 46.1912% (0.98   0.02   0.02) =  23.500%  kept
    Distance limit 3.03 A violated in 4 structures by 0.78 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.824, support = 4.04, residual support = 27.7:
        T HB    VAL   41 - HB    VAL   42   5.76 +/- 0.63  19.431% * 95.0040% (0.84 10.00   4.14  28.54) =  97.049%  kept
          HB2   LEU   71 - HB    VAL   42   6.33 +/- 2.38  20.361% *  2.4545% (0.42  1.00   1.02   1.70) =   2.627%  kept
        T QB    LYS+ 102 - HB    VAL   42  11.43 +/- 1.86   3.635% *  0.6368% (0.56 10.00   0.02   0.02) =   0.122%  kept
          HG2   PRO   93 - HB2   LYS+ 112   7.99 +/- 2.47  13.164% *  0.0603% (0.53  1.00   0.02   0.02) =   0.042%
          HG12  ILE  103 - HB    VAL   42   8.73 +/- 1.88   8.147% *  0.0854% (0.75  1.00   0.02   0.02) =   0.037%
          QB    LYS+  66 - HB2   LYS+ 112  13.31 +/- 3.40   7.282% *  0.0693% (0.61  1.00   0.02   0.02) =   0.027%
          HB3   PRO   52 - HB2   LYS+ 112   9.03 +/- 3.70  10.515% *  0.0421% (0.37  1.00   0.02   0.02) =   0.023%
          QB    LYS+  66 - HB    VAL   42  10.26 +/- 1.63   3.438% *  0.0982% (0.87  1.00   0.02   0.02) =   0.018%
        T HB    VAL   41 - HB2   LYS+ 112  20.08 +/- 2.83   0.399% *  0.6705% (0.59 10.00   0.02   0.02) =   0.014%
          QB    LYS+  65 - HB    VAL   42  10.70 +/- 1.55   3.286% *  0.0518% (0.46  1.00   0.02   0.02) =   0.009%
        T QB    LYS+ 102 - HB2   LYS+ 112  21.47 +/- 1.40   0.320% *  0.4494% (0.40 10.00   0.02   0.02) =   0.008%
          HG    LEU  123 - HB2   LYS+ 112  14.96 +/- 3.10   2.672% *  0.0421% (0.37  1.00   0.02   0.02) =   0.006%
          QB    LYS+  65 - HB2   LYS+ 112  13.26 +/- 2.79   2.612% *  0.0366% (0.32  1.00   0.02   0.02) =   0.005%
          HG    LEU  123 - HB    VAL   42  16.66 +/- 4.09   1.330% *  0.0597% (0.53  1.00   0.02   0.02) =   0.004%
          HG2   PRO   93 - HB    VAL   42  15.76 +/- 2.02   0.928% *  0.0854% (0.75  1.00   0.02   0.02) =   0.004%
          HB2   LEU   71 - HB2   LYS+ 112  19.70 +/- 5.37   1.526% *  0.0338% (0.30  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - HB2   LYS+ 112  18.70 +/- 2.15   0.514% *  0.0603% (0.53  1.00   0.02   0.02) =   0.002%
          HB3   PRO   52 - HB    VAL   42  19.69 +/- 2.52   0.441% *  0.0597% (0.53  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 13 structures by 1.33 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.08, residual support = 83.7:
          HN    VAL   42 - QG2   VAL   42   3.39 +/- 0.48  67.725% * 79.3720% (0.64   5.35  89.71) =  93.295%  kept
          HN    LEU   73 - QG2   VAL   42   6.69 +/- 1.42  18.911% * 20.2665% (0.64   1.37   0.45) =   6.652%  kept
          HN    LYS+ 106 - QG2   VAL   42   7.59 +/- 1.54   9.492% *  0.2966% (0.64   0.02   0.02) =   0.049%
          HN    ILE   19 - QG2   VAL   42   9.88 +/- 2.16   3.872% *  0.0649% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.36 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.1, residual support = 39.8:
          HN    VAL   43 - QG2   VAL   42   3.42 +/- 0.59 100.000% *100.0000% (0.72   5.10  39.75) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.953, support = 3.97, residual support = 87.9:
      O T HA    VAL   42 - QG1   VAL   42   2.79 +/- 0.31  61.584% * 91.4892% (0.97  10.0 10.00   4.00  89.71) =  97.691%  kept
          HA    THR   46 - QB    ALA   47   3.92 +/- 0.14  23.856% *  5.4584% (0.44   1.0  1.00   2.63  11.05) =   2.258%  kept
        T HA    GLN   17 - QG1   VAL   42  10.72 +/- 3.29   1.764% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.017%
        T HA    PHE   55 - QB    ALA   47  10.31 +/- 2.04   1.818% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.014%
        T HA    VAL   42 - QB    ALA   47  14.48 +/- 0.60   0.475% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.007%
        T HA    PHE   55 - QG1   VAL   42  14.22 +/- 1.73   0.616% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.006%
        T HA    GLN   17 - QB    ALA   47  18.01 +/- 4.05   0.368% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLN   90 - QB    ALA   47   9.65 +/- 2.28   3.377% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    THR   46 - QG1   VAL   42   9.58 +/- 0.67   1.731% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - QB    ALA   47  11.16 +/- 3.13   2.210% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   37 - QG1   VAL   42  13.72 +/- 1.03   0.611% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   90 - QG1   VAL   42  13.54 +/- 1.38   0.718% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  13.62 +/- 2.73   0.765% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.12 +/- 1.88   0.104% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.892, support = 1.54, residual support = 3.38:
          QD    PHE   60 - QG1   VAL   42   6.36 +/- 1.54  25.817% * 88.6158% (0.93   1.65   3.66) =  92.414%  kept
          QE    PHE   59 - QG1   VAL   42   6.98 +/- 1.97  23.883% *  5.8408% (0.33   0.31   0.02) =   5.635%  kept
          QD    PHE   60 - QB    ALA   47   8.58 +/- 2.58  15.354% *  0.9295% (0.80   0.02   0.02) =   0.577%  kept
          HN    LYS+  66 - QG1   VAL   42   8.28 +/- 1.66  13.623% *  0.9316% (0.81   0.02   0.02) =   0.513%  kept
          QE    PHE   59 - QB    ALA   47  10.30 +/- 2.05   7.604% *  1.4500% (0.28   0.09   0.02) =   0.445%  kept
          HN    LYS+  66 - QB    ALA   47  14.28 +/- 3.73   5.290% *  0.8045% (0.70   0.02   0.02) =   0.172%  kept
          HN    LYS+  81 - QG1   VAL   42  13.47 +/- 1.99   4.537% *  0.7661% (0.66   0.02   0.02) =   0.140%  kept
          HN    LYS+  81 - QB    ALA   47  12.53 +/- 2.22   3.893% *  0.6616% (0.57   0.02   0.02) =   0.104%  kept
    Distance limit 3.06 A violated in 12 structures by 1.78 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.772, support = 5.18, residual support = 84.7:
          HN    VAL   42 - QG1   VAL   42   3.29 +/- 0.44  60.467% * 86.1959% (0.77   5.44  89.71) =  94.340%  kept
          HN    LEU   73 - QG1   VAL   42   5.26 +/- 1.42  24.679% * 12.5382% (0.77   0.79   0.45) =   5.601%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.37 +/- 1.63   6.724% *  0.3166% (0.77   0.02   0.02) =   0.039%
          HN    LEU   73 - QB    ALA   47  13.37 +/- 1.89   1.342% *  0.2734% (0.67   0.02   0.02) =   0.007%
          HN    ILE   19 - QG1   VAL   42   8.78 +/- 2.76   4.665% *  0.0692% (0.17   0.02   0.02) =   0.006%
          HN    LYS+ 106 - QB    ALA   47  15.81 +/- 1.64   0.749% *  0.2734% (0.67   0.02   0.02) =   0.004%
          HN    VAL   42 - QB    ALA   47  14.95 +/- 0.83   0.688% *  0.2734% (0.67   0.02   0.02) =   0.003%
          HN    ILE   19 - QB    ALA   47  15.94 +/- 2.90   0.686% *  0.0598% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.1, residual support = 39.7:
          HN    VAL   43 - QG1   VAL   42   2.99 +/- 0.40  94.097% * 99.3909% (0.40   5.10  39.75) =  99.989%  kept
          HN    VAL   43 - QB    ALA   47  13.08 +/- 0.48   1.307% *  0.3366% (0.34   0.02   0.02) =   0.005%
          HN    VAL   24 - QB    ALA   47  15.03 +/- 3.73   3.303% *  0.1263% (0.13   0.02   0.02) =   0.004%
          HN    VAL   24 - QG1   VAL   42  13.19 +/- 1.18   1.293% *  0.1463% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.428, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   7.51 +/- 1.16  91.387% * 53.6601% (0.43   0.02   0.02) =  92.473%  kept
          HN    LEU  104 - QB    ALA   47  17.84 +/- 1.44   8.613% * 46.3399% (0.37   0.02   0.02) =   7.527%  kept
    Distance limit 3.82 A violated in 20 structures by 3.68 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.69, residual support = 15.1:
          HN    TRP   49 - QB    ALA   47   2.58 +/- 0.35  91.710% * 95.0140% (0.29   3.70  15.14) =  99.906%  kept
          HD22  ASN   69 - QG1   VAL   42   9.09 +/- 1.87   4.356% *  1.0655% (0.61   0.02   0.02) =   0.053%
          HE22  GLN   30 - QG1   VAL   42   9.30 +/- 1.59   2.705% *  0.9263% (0.53   0.02   0.02) =   0.029%
          HE22  GLN   30 - QB    ALA   47  17.56 +/- 2.12   0.347% *  1.2094% (0.69   0.02   0.02) =   0.005%
          HD22  ASN   69 - QB    ALA   47  19.81 +/- 2.51   0.252% *  1.3911% (0.79   0.02   0.02) =   0.004%
          HN    TRP   49 - QG1   VAL   42  14.14 +/- 1.32   0.629% *  0.3937% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.394, support = 2.27, residual support = 10.6:
      O   HN    ALA   47 - QB    ALA   47   2.25 +/- 0.16  77.565% * 91.2720% (0.39  10.0   2.30  10.77) =  98.265%  kept
          QD    PHE   95 - QG1   VAL   42   5.15 +/- 1.82  19.303% *  6.1540% (0.70   1.0   0.75   0.80) =   1.649%  kept
          QD    PHE   95 - QB    ALA   47   8.53 +/- 1.35   2.460% *  2.5041% (0.91   1.0   0.23   0.02) =   0.086%
          HN    ALA   47 - QG1   VAL   42  11.12 +/- 0.69   0.671% *  0.0699% (0.30   1.0   0.02   0.02) =   0.001%
    Distance limit 3.32 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 = 0.592, support = 2.91, residual support = 22.6:
          HB    VAL   42 - QG1   VAL   43   5.45 +/- 0.71  16.297% * 43.9662% (0.62  1.00   4.60  39.75) =  47.331%  kept
        T HB3   LEU   73 - QG1   VAL   43   7.19 +/- 2.68  15.093% * 35.0872% (0.69 10.00   0.33   2.76) =  34.981%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.10 +/- 0.90  13.658% * 18.8968% (0.34  1.00   3.62  16.45) =  17.049%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.67 +/- 2.13  10.657% *  0.2631% (0.85  1.00   0.02   0.02) =   0.185%  kept
          HG    LEU   98 - QG1   VAL   43   6.64 +/- 1.66  12.462% *  0.1799% (0.58  1.00   0.02   0.02) =   0.148%  kept
          QB    ALA   84 - QG1   VAL   43   7.33 +/- 1.75   7.692% *  0.2125% (0.69  1.00   0.02   0.02) =   0.108%  kept
          HB3   PRO   93 - QG1   VAL   43  10.11 +/- 1.60   2.962% *  0.2227% (0.72  1.00   0.02   0.02) =   0.044%
          HG3   LYS+ 102 - QG1   VAL   43  11.03 +/- 1.71   2.516% *  0.2227% (0.72  1.00   0.02   0.02) =   0.037%
          HB3   LEU   80 - QG1   VAL   43   7.27 +/- 1.66   9.818% *  0.0550% (0.18  1.00   0.02   0.02) =   0.036%
          HG3   LYS+  33 - QG1   VAL   43  11.93 +/- 2.84   2.103% *  0.1687% (0.54  1.00   0.02   0.02) =   0.023%
          HB2   LYS+ 112 - QG1   VAL   43  13.64 +/- 2.13   1.175% *  0.2412% (0.78  1.00   0.02   0.02) =   0.019%
          HB2   LEU   63 - QG1   VAL   43  10.37 +/- 1.98   3.130% *  0.0773% (0.25  1.00   0.02   0.02) =   0.016%
          HG3   LYS+  65 - QG1   VAL   43  13.56 +/- 2.18   1.039% *  0.1910% (0.62  1.00   0.02   0.02) =   0.013%
          QB    ALA  124 - QG1   VAL   43  17.03 +/- 2.97   0.756% *  0.1463% (0.47  1.00   0.02   0.02) =   0.007%
          QB    ALA   12 - QG1   VAL   43  17.23 +/- 3.67   0.642% *  0.0693% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.33 A violated in 0 structures by 0.73 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.268, support = 1.64, residual support = 5.27:
        T HH2   TRP   27 - QG1   VAL   43   3.76 +/- 3.25  63.174% * 40.0726% (0.31 10.00   0.98   5.27) =  53.426%  kept
        T HZ3   TRP   27 - QG1   VAL   43   4.73 +/- 3.27  36.826% * 59.9274% (0.22 10.00   2.40   5.27) =  46.574%  kept
    Distance limit 3.00 A violated in 3 structures by 1.14 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.36, residual support = 60.9:
          HN    VAL   43 - QG1   VAL   43   2.53 +/- 0.68 100.000% *100.0000% (0.80   5.36  60.88) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 3.6, residual support = 16.6:
          HN    ASP-  44 - QG2   VAL   43   3.44 +/- 0.41  45.977% * 68.9659% (0.39   3.90  16.45) =  84.012%  kept
          HN    ASN   28 - QD2   LEU   31   4.28 +/- 0.80  30.298% * 17.9762% (0.18   2.17  19.20) =  14.431%  kept
          HN    ASN   28 - QG2   VAL   43   8.63 +/- 3.20   4.599% * 12.2592% (0.63   0.43   0.02) =   1.494%  kept
          HN    GLU-  25 - QG2   VAL   43  10.71 +/- 3.18   2.341% *  0.3287% (0.36   0.02   0.02) =   0.020%
          HN    ASP-  44 - QD2   LEU   31   8.08 +/- 1.96   5.822% *  0.1015% (0.11   0.02   0.02) =   0.016%
          HN    GLU-  25 - QD2   LEU   31   8.02 +/- 0.77   3.853% *  0.0943% (0.10   0.02   0.02) =   0.010%
          HN    ASN   69 - QD2   LEU   31  12.28 +/- 2.85   5.555% *  0.0611% (0.07   0.02   0.02) =   0.009%
          HN    ASN   69 - QG2   VAL   43  12.05 +/- 1.58   1.556% *  0.2131% (0.23   0.02   0.02) =   0.009%
    Distance limit 3.44 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 = 60.9:
      O   HN    VAL   43 - HB    VAL   43   2.78 +/- 0.52 100.000% *100.0000% (0.87  10.0   4.22  60.88) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 15.2:
          HN    MET   96 - HB    VAL   43   4.39 +/- 1.22 100.000% *100.0000% (0.51   1.50  15.25) = 100.000%  kept
    Distance limit 3.79 A violated in 4 structures by 0.75 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.49, residual support = 18.5:
        T QD    PHE   45 - HB3   ASP-  44   4.67 +/- 0.28 100.000% *100.0000% (0.80 10.00   4.49  18.49) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.80 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.9, residual support = 39.4:
      O   HN    ASP-  44 - HB3   ASP-  44   3.22 +/- 0.52  97.633% * 99.8560% (0.98  10.0   3.90  39.45) =  99.998%  kept
          HN    GLU-  25 - HB3   ASP-  44  16.22 +/- 3.01   0.998% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB3   ASP-  44  14.36 +/- 2.66   1.369% *  0.0457% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.92, support = 2.01, residual support = 5.04:
          HA    LYS+  74 - HB2   ASP-  44   5.66 +/- 2.03  77.495% * 92.2419% (0.92  1.00   2.06   5.16) =  97.616%  kept
        T HA    MET   92 - HB2   ASP-  44  11.18 +/- 1.39  22.505% *  7.7581% (0.80 10.00   0.02   0.02) =   2.384%  kept
    Distance limit 4.02 A violated in 6 structures by 1.53 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.12, residual support = 39.4:
      O   HN    ASP-  44 - HB2   ASP-  44   2.86 +/- 0.39  98.256% * 99.8560% (0.98  10.0   3.12  39.45) =  99.999%  kept
          HN    GLU-  25 - HB2   ASP-  44  16.21 +/- 2.22   0.709% *  0.0983% (0.97   1.0   0.02   0.02) =   0.001%
          HN    ASN   28 - HB2   ASP-  44  14.20 +/- 2.10   1.035% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.608, support = 3.86, residual support = 33.0:
      O   HN    ASP-  44 - HA    ASP-  44   2.90 +/- 0.03  32.725% * 81.9551% (0.80  10.0   3.78  39.45) =  69.226%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.29 +/- 0.04  66.513% * 17.9245% (0.18  10.0   4.06  18.49) =  30.773%  kept
          HN    ALA  110 - HA    ASP-  44  13.10 +/- 2.71   0.544% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  16.38 +/- 2.47   0.218% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2604 (5.97, 4.29, 51.33 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.39:
          HA    PHE   95 - HA    ASP-  44   3.54 +/- 1.12 100.000% *100.0000% (0.87   2.00   4.39) = 100.000%  kept
    Distance limit 3.66 A violated in 3 structures by 0.37 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.2:
        T HB    THR   94 - HB2   PHE   45   3.01 +/- 0.57  83.882% * 98.9931% (0.65 10.00   2.96  27.16) =  99.983%  kept
          QB    SER   85 - HB2   PHE   45  11.22 +/- 0.93   2.493% *  0.1477% (0.97  1.00   0.02   0.02) =   0.004%
          QB    SER   48 - HB2   PHE   45  10.30 +/- 0.90   2.595% *  0.1169% (0.76  1.00   0.02   0.02) =   0.004%
          HA    LYS+  65 - HB2   PHE   45  15.18 +/- 4.26   1.589% *  0.1413% (0.92  1.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HB2   PHE   45  12.69 +/- 2.20   2.435% *  0.0522% (0.34  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB2   PHE   45  10.38 +/- 1.19   3.556% *  0.0268% (0.18  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  14.62 +/- 1.29   1.130% *  0.0745% (0.49  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB2   PHE   45  19.66 +/- 2.05   0.361% *  0.1448% (0.95  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB2   PHE   45  23.01 +/- 3.74   0.282% *  0.1477% (0.97  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - HB2   PHE   45  14.69 +/- 1.28   0.911% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.97 +/- 1.99   0.362% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.56 +/- 2.41   0.403% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.435, support = 2.17, residual support = 9.86:
          QG2   THR   77 - HB2   PHE   45   4.23 +/- 2.65  61.030% * 81.1285% (0.45   2.24  10.43) =  94.545%  kept
          QB    ALA   88 - HB2   PHE   45   9.05 +/- 1.52  17.429% * 15.1164% (0.15   1.21   0.02) =   5.031%  kept
          QG2   THR   23 - HB2   PHE   45  14.92 +/- 2.54   6.123% *  1.5316% (0.95   0.02   0.02) =   0.179%  kept
          QB    ALA   34 - HB2   PHE   45  15.10 +/- 1.16   6.362% *  1.0474% (0.65   0.02   0.02) =   0.127%  kept
          QG2   ILE   56 - HB2   PHE   45  11.04 +/- 2.66   7.598% *  0.7259% (0.45   0.02   0.02) =   0.105%  kept
          HG3   LYS+  38 - HB2   PHE   45  24.54 +/- 1.51   1.458% *  0.4502% (0.28   0.02   0.02) =   0.013%
    Distance limit 3.79 A violated in 3 structures by 0.84 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 13.5:
        T QG2   ILE   89 - HB2   PHE   45   3.39 +/- 0.56  87.830% * 99.8023% (1.00 10.00   0.75  13.52) =  99.983%  kept
          QG1   VAL   83 - HB2   PHE   45   8.56 +/- 1.63   8.519% *  0.1510% (0.57  1.00   0.02   2.12) =   0.015%
          QD1   LEU  104 - HB2   PHE   45  14.62 +/- 2.34   3.651% *  0.0467% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.874, support = 2.53, residual support = 9.79:
          QG2   THR   77 - HB3   PHE   45   4.32 +/- 2.44  57.751% * 79.4094% (0.87   2.66  10.43) =  93.852%  kept
          QB    ALA   88 - HB3   PHE   45   9.33 +/- 1.36  15.516% * 19.0116% (0.99   0.56   0.02) =   6.037%  kept
          HB3   LEU   80 - HB3   PHE   45   8.89 +/- 1.93  14.198% *  0.1363% (0.20   0.02   0.02) =   0.040%
          HG2   LYS+ 111 - HB3   PHE   45  13.90 +/- 2.85   7.294% *  0.2584% (0.38   0.02   0.02) =   0.039%
          HB2   LEU   31 - HB3   PHE   45  16.58 +/- 3.00   3.326% *  0.2125% (0.31   0.02   0.02) =   0.014%
          HG2   LYS+  99 - HB3   PHE   45  19.83 +/- 1.17   1.105% *  0.4455% (0.65   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HB3   PHE   45  24.02 +/- 1.30   0.809% *  0.5262% (0.76   0.02   0.02) =   0.009%
    Distance limit 3.48 A violated in 5 structures by 1.01 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.09, residual support = 13.5:
        T QG2   ILE   89 - HB3   PHE   45   3.62 +/- 0.70 100.000% *100.0000% (0.69 10.00   1.09  13.52) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.34, residual support = 80.2:
      O   QD    PHE   45 - HB2   PHE   45   2.49 +/- 0.18  98.787% * 99.6976% (0.65  10.0   4.34  80.15) =  99.999%  kept
          HE22  GLN  116 - HB2   PHE   45  17.15 +/- 2.71   0.540% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB2   PHE   45  16.31 +/- 2.18   0.476% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   PHE   45  22.15 +/- 4.17   0.197% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.723, support = 3.62, residual support = 79.8:
      O   HN    PHE   45 - HB2   PHE   45   3.06 +/- 0.59  85.315% * 95.1840% (0.73  10.0   3.63  80.15) =  99.347%  kept
          HN    ASP-  44 - HB2   PHE   45   6.53 +/- 0.39  11.386% *  4.6623% (0.22   1.0   3.20  18.49) =   0.649%  kept
          HN    ALA  110 - HB2   PHE   45  12.06 +/- 2.98   2.283% *  0.1210% (0.92   1.0   0.02   0.02) =   0.003%
          HN    GLU-  25 - HB2   PHE   45  16.55 +/- 3.35   1.016% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.05, residual support = 80.2:
      O   QD    PHE   45 - HB3   PHE   45   2.49 +/- 0.18  98.391% * 99.6976% (0.65  10.0   5.05  80.15) =  99.998%  kept
          HE22  GLN  116 - HB3   PHE   45  17.21 +/- 2.83   0.970% *  0.1337% (0.87   1.0   0.02   0.02) =   0.001%
          HD2   HIS  122 - HB3   PHE   45  16.41 +/- 2.24   0.444% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB3   PHE   45  21.85 +/- 4.48   0.195% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.722, support = 3.95, residual support = 79.7:
      O   HN    PHE   45 - HB3   PHE   45   3.06 +/- 0.58  82.744% * 95.1847% (0.73  10.0   3.95  80.15) =  99.194%  kept
          HN    ASP-  44 - HB3   PHE   45   6.36 +/- 0.65  13.654% *  4.6616% (0.22   1.0   3.19  18.49) =   0.802%  kept
          HN    ALA  110 - HB3   PHE   45  12.36 +/- 2.95   2.430% *  0.1210% (0.92   1.0   0.02   0.02) =   0.004%
          HN    GLU-  25 - HB3   PHE   45  16.44 +/- 3.42   1.171% *  0.0327% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 1.04, residual support = 3.75:
          HA    ASP-  76 - QG2   THR   46   6.23 +/- 2.88 100.000% *100.0000% (0.41   1.04   3.75) = 100.000%  kept
    Distance limit 3.39 A violated in 10 structures by 2.94 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 3.32, residual support = 33.9:
          HN    THR   46 - QG2   THR   46   2.57 +/- 0.38  85.588% * 89.4815% (0.76   3.34  34.15) =  99.395%  kept
          HN    LYS+  74 - QG2   THR   46   8.09 +/- 2.10   4.672% *  9.0824% (1.00   0.26   0.26) =   0.551%  kept
          HN    LYS+ 112 - QG2   THR   46   9.51 +/- 2.31   5.475% *  0.4535% (0.65   0.02   0.02) =   0.032%
          HN    MET   92 - QG2   THR   46   8.28 +/- 1.17   4.060% *  0.3969% (0.57   0.02   0.02) =   0.021%
          HN    MET   11 - QG2   THR   46  22.48 +/- 4.78   0.205% *  0.5856% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.402, support = 2.59, residual support = 8.28:
          HN    ALA   47 - QG2   THR   46   3.43 +/- 0.66  71.409% * 53.1530% (0.25   3.20  11.05) =  73.916%  kept
          QD    PHE   95 - QG2   THR   46   5.87 +/- 1.65  28.591% * 46.8470% (0.84   0.84   0.42) =  26.084%  kept
    Distance limit 3.95 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 = 0.303, support = 0.842, residual support = 0.412:
          QB    CYS   50 - QG2   THR   46   5.31 +/- 1.64  40.118% * 58.2639% (0.31   0.99   0.51) =  61.285%  kept
          QE    LYS+  74 - QG2   THR   46   5.23 +/- 3.10  42.428% * 33.7071% (0.28   0.63   0.26) =  37.496%  kept
          HB2   PHE   72 - QG2   THR   46   9.23 +/- 1.24   7.577% *  3.8225% (1.00   0.02   0.02) =   0.759%  kept
          HA    ALA   64 - QG2   THR   46   9.29 +/- 2.42   8.026% *  1.5750% (0.41   0.02   0.02) =   0.331%  kept
          HB3   ASN   69 - QG2   THR   46  14.90 +/- 1.54   1.851% *  2.6315% (0.69   0.02   0.02) =   0.128%  kept
    Distance limit 3.59 A violated in 3 structures by 0.64 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   2.74 +/- 0.05  98.740% * 99.9333% (0.49  10.0   2.61   9.17) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  17.84 +/- 3.83   0.955% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  20.43 +/- 2.26   0.305% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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   2.36 +/- 0.21  99.154% * 99.9496% (0.95  10.0   2.41   9.17) = 100.000%  kept
          HN    SER   48 - QB    SER   85  15.59 +/- 2.76   0.587% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  18.35 +/- 2.35   0.259% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.924, support = 4.08, residual support = 83.7:
      O   HN    TRP   49 - HB2   TRP   49   3.61 +/- 0.27  50.884% * 97.0498% (0.95  10.0   4.10  85.92) =  97.287%  kept
          HN    CYS   50 - HB2   TRP   49   3.69 +/- 0.66  48.568% *  2.8352% (0.15   1.0   3.58   5.15) =   2.713%  kept
          HE22  GLN   30 - HB2   TRP   49  23.89 +/- 4.03   0.343% *  0.0947% (0.92   1.0   0.02   0.02) =   0.001%
          HD22  ASN   69 - HB2   TRP   49  25.86 +/- 4.76   0.205% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 4.76, residual support = 85.9:
      O   HD1   TRP   49 - HB2   TRP   49   3.87 +/- 0.11  94.010% * 99.6923% (0.80  10.0   4.76  85.92) =  99.995%  kept
          HD2   HIS   22 - HB2   TRP   49  20.74 +/- 5.68   2.446% *  0.1149% (0.92   1.0   0.02   0.02) =   0.003%
          HN    LEU   67 - HB2   TRP   49  20.01 +/- 4.98   1.535% *  0.0558% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   TRP   49  20.19 +/- 5.06   1.827% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  32.59 +/- 3.23   0.182% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.783, support = 4.09, residual support = 85.0:
      O   HN    TRP   49 - HB3   TRP   49   2.95 +/- 0.52  71.483% * 97.0531% (0.79  10.0   4.10  85.92) =  98.871%  kept
          HN    CYS   50 - HB3   TRP   49   4.15 +/- 0.38  27.954% *  2.8319% (0.13   1.0   3.58   5.15) =   1.128%  kept
          HE22  GLN   30 - HB3   TRP   49  23.51 +/- 4.24   0.393% *  0.0947% (0.77   1.0   0.02   0.02) =   0.001%
          HD22  ASN   69 - HB3   TRP   49  26.16 +/- 4.55   0.170% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 4.75, residual support = 85.9:
      O   HD1   TRP   49 - HB3   TRP   49   2.92 +/- 0.17  96.084% * 99.6923% (0.67  10.0   4.75  85.92) =  99.997%  kept
          HD2   HIS   22 - HB3   TRP   49  20.31 +/- 5.99   1.708% *  0.1149% (0.77   1.0   0.02   0.02) =   0.002%
          HN    LEU   67 - HB3   TRP   49  20.32 +/- 5.02   0.749% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  19.59 +/- 5.36   1.373% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  32.18 +/- 3.31   0.086% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.716, support = 0.02, residual support = 2.18:
          HB2   PRO   52 - HB3   TRP   49  10.00 +/- 0.93  65.779% * 45.9163% (0.72   0.02   3.11) =  70.106%  kept
          HB2   ASP-  62 - HB3   TRP   49  18.05 +/- 4.87  26.713% * 45.9163% (0.72   0.02   0.02) =  28.470%  kept
          HG2   MET   96 - HB3   TRP   49  20.96 +/- 1.81   7.509% *  8.1674% (0.13   0.02   0.02) =   1.423%  kept
    Distance limit 3.91 A violated in 20 structures by 5.72 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.505, support = 0.02, residual support = 0.02:
          QE    LYS+ 112 - HB3   TRP   49  10.80 +/- 2.74  40.214% * 16.1708% (0.47   0.02   0.02) =  40.029%  kept
          HB3   PHE   45 - HB3   TRP   49  13.41 +/- 1.34  21.785% * 16.1708% (0.47   0.02   0.02) =  21.685%  kept
          QG    GLU-  79 - HB3   TRP   49  16.17 +/- 4.28  24.351% * 13.9029% (0.41   0.02   0.02) =  20.840%  kept
          HB    VAL  107 - HB3   TRP   49  18.47 +/- 2.62   7.727% * 27.0190% (0.79   0.02   0.02) =  12.852%  kept
          QG    GLN   32 - HB3   TRP   49  28.07 +/- 3.17   2.722% * 22.8711% (0.67   0.02   0.02) =   3.833%  kept
          HG2   GLU-  29 - HB3   TRP   49  27.96 +/- 4.86   3.201% *  3.8655% (0.11   0.02   0.02) =   0.762%  kept
    Distance limit 3.97 A violated in 20 structures by 5.37 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 3.52, residual support = 6.6:
          QB    ALA   47 - QB    CYS   50   3.72 +/- 0.69  66.993% * 98.2319% (0.65   3.53   6.62) =  99.650%  kept
          HG2   LYS+ 112 - QB    CYS   50   8.83 +/- 3.19  24.568% *  0.7600% (0.22   0.08   0.02) =   0.283%  kept
          QB    ALA   64 - QB    CYS   50  10.71 +/- 2.42   5.781% *  0.5560% (0.65   0.02   0.02) =   0.049%
          QG1   VAL   42 - QB    CYS   50  11.99 +/- 2.05   2.658% *  0.4522% (0.53   0.02   0.02) =   0.018%
    Distance limit 3.62 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.985, support = 1.54, residual support = 7.52:
        T HB2   CYS   53 - QB    CYS   50   3.47 +/- 0.85  63.584% * 89.6799% (1.00 10.00   1.50   7.90) =  95.149%  kept
          HD3   PRO   52 - QB    CYS   50   5.31 +/- 1.04  28.903% * 10.0449% (0.73  1.00   2.31   0.11) =   4.844%  kept
          HD2   PRO   58 - QB    CYS   50  10.38 +/- 1.78   4.952% *  0.0583% (0.49  1.00   0.02   0.02) =   0.005%
          HA    VAL   83 - QB    CYS   50  17.69 +/- 2.72   1.195% *  0.0493% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - QB    CYS   50  21.27 +/- 2.62   0.359% *  0.0960% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    CYS   50  18.84 +/- 2.84   0.763% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.09 +/- 3.11   0.244% *  0.0450% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 1.61, residual support = 7.61:
      O   HN    CYS   50 - QB    CYS   50   2.96 +/- 0.33  76.451% * 88.4458% (0.80  10.0   1.58   7.70) =  96.327%  kept
          HN    TRP   49 - QB    CYS   50   4.54 +/- 0.33  22.471% * 11.4715% (0.65   1.0   2.53   5.15) =   3.672%  kept
          HN    VAL   83 - QB    CYS   50  16.84 +/- 2.69   0.677% *  0.0478% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  18.79 +/- 3.00   0.401% *  0.0349% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  98.221% * 97.0144% (0.87  10.0 10.00   2.81  10.18) =  99.989%  kept
        T QB    SER   48 - HA1   GLY   51   8.90 +/- 0.65   0.792% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T QB    SER  117 - HA1   GLY   51  17.56 +/- 2.13   0.114% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T QB    SER   85 - HA1   GLY   51  21.80 +/- 2.79   0.063% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  15.98 +/- 1.56   0.146% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  19.07 +/- 4.26   0.195% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  21.64 +/- 3.56   0.083% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  23.91 +/- 3.51   0.060% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.27 +/- 5.48   0.060% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  13.92 +/- 2.27   0.266% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.972, support = 3.43, residual support = 38.9:
          HB3   CYS   53 - HB2   PRO   52   6.22 +/- 0.82  16.475% * 82.2003% (0.99   4.67  55.67) =  69.583%  kept
          QB    PHE   55 - HB2   PRO   52   4.23 +/- 0.53  46.471% * 10.8717% (0.92   0.66   0.41) =  25.959%  kept
          HD2   ARG+  54 - HB2   PRO   52   7.95 +/- 1.66  14.919% *  5.4166% (0.97   0.32   1.91) =   4.152%  kept
          HD3   PRO   93 - HB2   PRO   52  10.92 +/- 4.95  12.834% *  0.3485% (0.98   0.02   0.02) =   0.230%  kept
          HB2   PHE   59 - HB2   PRO   52  11.77 +/- 2.13   2.704% *  0.2442% (0.69   0.02   0.02) =   0.034%
          HD3   PRO   68 - HB2   PRO   52  20.74 +/- 3.92   0.869% *  0.3431% (0.97   0.02   0.02) =   0.015%
          HD3   PRO   93 - HG2   MET   96  14.42 +/- 0.83   1.259% *  0.1024% (0.29   0.02   0.02) =   0.007%
          HB2   PHE   59 - HG2   MET   96  15.09 +/- 2.56   1.497% *  0.0717% (0.20   0.02   0.02) =   0.006%
          HD3   PRO   68 - HG2   MET   96  16.02 +/- 2.26   1.022% *  0.1008% (0.28   0.02   0.02) =   0.005%
          HB3   CYS   53 - HG2   MET   96  17.49 +/- 2.10   0.809% *  0.1035% (0.29   0.02   0.02) =   0.004%
          QB    PHE   55 - HG2   MET   96  17.55 +/- 1.88   0.731% *  0.0964% (0.27   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HG2   MET   96  21.89 +/- 2.85   0.410% *  0.1008% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.05 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.309, support = 2.51, residual support = 25.4:
          HB3   CYS   53 - HB3   PRO   52   5.94 +/- 0.73  19.310% * 43.7644% (0.25  1.00   4.96  55.67) =  44.511%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.00 +/- 1.62  13.639% * 38.6116% (0.20 10.00   0.55   1.91) =  27.737%  kept
          QB    PHE   55 - HB3   PRO   52   4.30 +/- 0.42  45.735% * 10.6122% (0.53  1.00   0.57   0.41) =  25.563%  kept
        T HD3   PRO   93 - HB3   PRO   52  10.60 +/- 4.46  12.781% *  2.9113% (0.41 10.00   0.02   0.02) =   1.960%  kept
        T HD3   PRO   68 - HB3   PRO   52  20.99 +/- 4.02   0.752% *  3.1749% (0.45 10.00   0.02   0.02) =   0.126%  kept
          HB2   PHE   59 - HB3   PRO   52  11.67 +/- 1.96   3.013% *  0.5671% (0.80  1.00   0.02   0.02) =   0.090%
        T HD2   ARG+  54 - QB    LYS+  81  21.39 +/- 4.22   0.671% *  0.1608% (0.02 10.00   0.02   0.02) =   0.006%
          HD3   PRO   93 - QB    LYS+  81  13.63 +/- 2.00   1.750% *  0.0334% (0.05  1.00   0.02   0.02) =   0.003%
          QB    PHE   55 - QB    LYS+  81  19.21 +/- 3.28   0.685% *  0.0427% (0.06  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - QB    LYS+  81  20.97 +/- 1.80   0.422% *  0.0650% (0.09  1.00   0.02   0.02) =   0.001%
          HB3   CYS   53 - QB    LYS+  81  17.40 +/- 3.10   0.876% *  0.0203% (0.03  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - QB    LYS+  81  22.12 +/- 2.26   0.367% *  0.0364% (0.05  1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.478, support = 0.02, residual support = 0.0299:
          HB3   LEU  115 - HB2   PRO   52  12.37 +/- 3.10   5.237% *  8.3913% (0.84   0.02   0.02) =  14.025%  kept
          QG    LYS+  66 - HB2   PRO   52  17.04 +/- 3.85   3.434% *  8.3913% (0.84   0.02   0.02) =   9.197%  kept
          QB    ALA  110 - HB2   PRO   52  11.74 +/- 4.48   9.704% *  2.7932% (0.28   0.02   0.02) =   8.650%  kept
          HG    LEU  115 - HB2   PRO   52  11.18 +/- 3.36   8.795% *  2.7932% (0.28   0.02   0.02) =   7.840%  kept
          QB    ALA   61 - HB2   PRO   52  12.09 +/- 1.29   4.878% *  4.8900% (0.49   0.02   0.02) =   7.612%  kept
          HG2   LYS+ 102 - HG2   MET   96  10.94 +/- 2.12   7.812% *  2.9446% (0.29   0.02   0.02) =   7.341%  kept
          HG    LEU   40 - HG2   MET   96  10.03 +/- 1.63   8.415% *  2.4650% (0.25   0.02   0.02) =   6.620%  kept
          HG    LEU   73 - HB2   PRO   52  20.01 +/- 5.38   2.021% *  9.6953% (0.97   0.02   0.02) =   6.253%  kept
          HG    LEU   73 - HG2   MET   96  12.80 +/- 2.73   5.134% *  2.8481% (0.28   0.02   0.02) =   4.667%  kept
          QB    ALA   61 - HG2   MET   96  13.35 +/- 3.98   8.924% *  1.4365% (0.14   0.02   0.02) =   4.091%  kept
          HB3   LEU  115 - HG2   MET   96  12.05 +/- 1.77   4.897% *  2.4650% (0.25   0.02   0.23) =   3.853%  kept
          HG    LEU   67 - HG2   MET   96  14.51 +/- 2.52   3.667% *  2.1430% (0.21   0.02   0.02) =   2.508%  kept
          HG    LEU   67 - HB2   PRO   52  20.52 +/- 3.30   0.949% *  7.2951% (0.73   0.02   0.02) =   2.209%  kept
          HB3   LEU   67 - HB2   PRO   52  20.33 +/- 2.61   0.888% *  6.4990% (0.65   0.02   0.02) =   1.841%  kept
          HB3   LEU   67 - HG2   MET   96  14.26 +/- 1.98   2.849% *  1.9091% (0.19   0.02   0.02) =   1.736%  kept
          QB    ALA  120 - HB2   PRO   52  15.83 +/- 3.04   1.938% *  2.7932% (0.28   0.02   0.02) =   1.728%  kept
          QG    LYS+  66 - HG2   MET   96  16.42 +/- 2.65   2.151% *  2.4650% (0.25   0.02   0.02) =   1.692%  kept
          HG    LEU   40 - HB2   PRO   52  22.39 +/- 3.43   0.590% *  8.3913% (0.84   0.02   0.02) =   1.581%  kept
          HG    LEU   80 - HG2   MET   96  12.74 +/- 2.42   4.420% *  0.9109% (0.09   0.02   0.02) =   1.285%  kept
          HG    LEU   80 - HB2   PRO   52  21.21 +/- 4.32   1.174% *  3.1007% (0.31   0.02   0.02) =   1.161%  kept
          HG    LEU  115 - HG2   MET   96  12.92 +/- 1.61   3.665% *  0.8205% (0.08   0.02   0.23) =   0.960%  kept
          QB    ALA  110 - HG2   MET   96  13.09 +/- 1.47   3.363% *  0.8205% (0.08   0.02   0.02) =   0.881%  kept
          HG2   LYS+ 102 - HB2   PRO   52  29.45 +/- 3.16   0.257% * 10.0239% (1.00   0.02   0.02) =   0.821%  kept
          QB    ALA  120 - HG2   MET   96  15.60 +/- 2.31   2.264% *  0.8205% (0.08   0.02   0.02) =   0.593%  kept
          HG12  ILE   19 - HB2   PRO   52  23.06 +/- 3.31   0.625% *  2.2366% (0.22   0.02   0.02) =   0.446%  kept
          HG12  ILE   19 - HG2   MET   96  16.99 +/- 3.97   1.950% *  0.6570% (0.07   0.02   0.02) =   0.409%  kept
    Distance limit 3.18 A violated in 19 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.707, support = 0.02, residual support = 0.02:
          HB3   PRO   93 - HD2   PRO   52  10.01 +/- 2.49  24.386% *  5.3763% (0.65  1.00   0.02   0.02) =  17.273%  kept
        T QB    ALA   88 - HD2   PRO   52  17.41 +/- 2.70   8.016% * 14.5547% (0.18 10.00   0.02   0.02) =  15.372%  kept
          HB2   LEU   63 - HD2   PRO   52  14.60 +/- 3.13  13.942% *  8.3107% (1.00  1.00   0.02   0.02) =  15.266%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.46 +/- 4.61  14.595% *  6.9417% (0.84  1.00   0.02   0.02) =  13.348%  kept
          HB3   ASP-  44 - HD2   PRO   52  13.23 +/- 1.87   9.653% *  8.1462% (0.98  1.00   0.02   0.02) =  10.360%  kept
          QB    ALA  124 - HD2   PRO   52  21.72 +/- 4.64   8.225% *  7.4533% (0.90  1.00   0.02   0.02) =   8.076%  kept
          QB    ALA   84 - HD2   PRO   52  15.07 +/- 2.42   8.533% *  5.7087% (0.69  1.00   0.02   0.02) =   6.418%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  21.13 +/- 2.66   2.944% * 12.8231% (0.15 10.00   0.02   0.02) =   4.974%  kept
          HB3   LEU   80 - HD2   PRO   52  18.75 +/- 3.19   4.436% *  8.1462% (0.98  1.00   0.02   0.02) =   4.760%  kept
          HG    LEU   98 - HD2   PRO   52  24.15 +/- 3.12   1.979% *  6.6547% (0.80  1.00   0.02   0.02) =   1.735%  kept
          HB2   LEU   31 - HD2   PRO   52  25.96 +/- 3.01   1.292% *  7.4533% (0.90  1.00   0.02   0.02) =   1.269%  kept
          HG2   LYS+  99 - HD2   PRO   52  28.07 +/- 2.96   1.300% *  4.7052% (0.57  1.00   0.02   0.02) =   0.806%  kept
          HG2   LYS+  38 - HD2   PRO   52  31.89 +/- 3.29   0.698% *  3.7260% (0.45  1.00   0.02   0.02) =   0.343%  kept
    Distance limit 3.65 A violated in 19 structures by 4.41 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.35, residual support = 223.5:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  98.446% * 97.1447% (0.80  10.0 10.00   7.35 223.47) =  99.989%  kept
        T HA    SER   48 - HD3   PRO   52   9.44 +/- 1.09   0.772% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   SER   82 - HD3   PRO   52  24.53 +/- 3.77   0.048% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  22.71 +/- 3.65   0.060% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  21.53 +/- 3.25   0.070% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  21.39 +/- 3.43   0.071% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  15.18 +/- 2.66   0.226% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  19.51 +/- 3.64   0.126% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  30.72 +/- 2.78   0.020% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.54 +/- 3.54   0.025% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  21.10 +/- 3.00   0.071% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  31.88 +/- 2.71   0.018% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  26.77 +/- 4.74   0.045% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 7.33, residual support = 221.9:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  92.071% * 88.4374% (0.87  10.0 10.00   7.35 223.47) =  99.060%  kept
          HB2   CYS   53 - HD2   PRO   52   4.25 +/- 0.51   7.493% * 10.3048% (0.38   1.0  1.00   5.39  55.67) =   0.939%  kept
        T HB3   SER   82 - HD2   PRO   52  23.28 +/- 3.78   0.054% *  0.9412% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HD2   PRO   52  16.97 +/- 2.35   0.126% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.31 +/- 2.70   0.031% *  0.0816% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  26.13 +/- 3.98   0.037% *  0.0660% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.48 +/- 2.38   0.134% *  0.0157% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  26.47 +/- 3.03   0.032% *  0.0618% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.14 +/- 3.59   0.022% *  0.0457% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.5:
      O   HA1   GLY   51 - HD3   PRO   52   2.57 +/- 0.67  94.504% * 97.0168% (0.76  10.0  1.00   3.95  13.51) =  99.990%  kept
        T HA    ILE  103 - HD3   PRO   52  25.43 +/- 2.76   0.222% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HA    THR   39 - HD3   PRO   52  28.34 +/- 3.37   0.151% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   57 - HD3   PRO   52  11.52 +/- 1.34   2.019% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HD3   PRO   52  15.39 +/- 1.81   1.045% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HD3   PRO   52  15.77 +/- 3.66   0.961% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD3   PRO   52  20.09 +/- 4.64   0.414% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HD3   PRO   52  22.24 +/- 3.05   0.299% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  33.16 +/- 6.24   0.082% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  24.65 +/- 3.65   0.205% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  31.97 +/- 5.40   0.096% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.12, residual support = 13.5:
      O   HA1   GLY   51 - HD2   PRO   52   3.17 +/- 0.48  93.458% * 92.3448% (0.34  10.0  1.00   5.13  13.51) =  99.960%  kept
        T HA    SER   85 - HD2   PRO   52  21.34 +/- 2.91   0.431% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.013%
        T HA    ILE  103 - HD2   PRO   52  24.24 +/- 2.58   0.327% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.009%
          HB    THR   77 - HD2   PRO   52  14.75 +/- 3.56   1.909% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASP-  44 - HD2   PRO   52  14.11 +/- 1.57   1.697% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.005%
        T HA    THR   39 - HD2   PRO   52  27.14 +/- 3.16   0.233% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.003%
          HA    GLU-  79 - HD2   PRO   52  19.19 +/- 4.53   0.734% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  86 - HD2   PRO   52  23.66 +/- 3.58   0.363% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - HD2   PRO   52  32.26 +/- 6.02   0.166% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HD2   PRO   52  31.06 +/- 5.12   0.190% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  27.65 +/- 3.93   0.217% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.15 +/- 2.37   0.275% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.5:
      O   HG2   PRO   52 - HD3   PRO   52   2.88 +/- 0.13  93.443% * 99.6603% (0.90  10.0   6.60 223.47) =  99.997%  kept
          HG2   MET   92 - HD3   PRO   52  11.94 +/- 4.03   4.002% *  0.0417% (0.38   1.0   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD3   PRO   52  14.11 +/- 2.78   1.212% *  0.0498% (0.45   1.0   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HD3   PRO   52  19.27 +/- 4.09   0.511% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.62 +/- 1.18   0.630% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.80 +/- 5.57   0.149% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.16 +/- 2.77   0.054% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 223.5:
      O   HG3   PRO   52 - HD3   PRO   52   2.33 +/- 0.13  96.323% * 99.3977% (0.97  10.0  1.00   6.60 223.47) =  99.994%  kept
        T HB2   PRO   93 - HD3   PRO   52  11.54 +/- 2.84   2.420% *  0.2038% (0.20   1.0 10.00   0.02   0.02) =   0.005%
          HG2   PRO   58 - HD3   PRO   52  14.68 +/- 1.26   0.456% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  23.84 +/- 5.53   0.227% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.47 +/- 5.33   0.369% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  29.03 +/- 4.23   0.070% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  32.97 +/- 6.54   0.060% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.57 +/- 2.63   0.076% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.568, support = 6.78, residual support = 222.5:
      O   HB3   PRO   52 - HD3   PRO   52   3.89 +/- 0.29  74.087% * 96.7767% (0.57  10.0   6.81 223.47) =  99.579%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.29 +/- 1.00  14.780% *  1.9792% (0.95   1.0   0.24   1.91) =   0.406%  kept
          HG3   PRO   68 - HD3   PRO   52  22.95 +/- 5.59   1.400% *  0.1676% (0.98   1.0   0.02   0.02) =   0.003%
          HG    LEU  123 - HD3   PRO   52  21.34 +/- 5.26   1.618% *  0.0968% (0.57   1.0   0.02   0.02) =   0.002%
          HB3   GLN   90 - HD3   PRO   52  18.24 +/- 4.13   1.147% *  0.1306% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE   56 - HD3   PRO   52  11.42 +/- 0.97   3.461% *  0.0426% (0.25   1.0   0.02   0.02) =   0.002%
          QB    LYS+  81 - HD3   PRO   52  18.90 +/- 3.58   0.862% *  0.1174% (0.69   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   PRO   52  19.08 +/- 2.63   0.810% *  0.1106% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HD3   PRO   52  22.42 +/- 2.74   0.444% *  0.1578% (0.92   1.0   0.02   0.02) =   0.001%
          HB    ILE  103 - HD3   PRO   52  25.91 +/- 2.81   0.282% *  0.1650% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD3   PRO   52  27.39 +/- 2.53   0.247% *  0.1428% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  24.41 +/- 2.99   0.352% *  0.0528% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.29 +/- 2.14   0.353% *  0.0338% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  32.24 +/- 3.47   0.157% *  0.0264% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.07, residual support = 55.7:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.00  98.294% * 99.2990% (0.61   6.07  55.67) =  99.996%  kept
          HN    LEU   80 - HD3   PRO   52  19.34 +/- 3.94   1.018% *  0.2023% (0.38   0.02   0.02) =   0.002%
          HN    THR   26 - HD3   PRO   52  25.29 +/- 4.67   0.462% *  0.3488% (0.65   0.02   0.02) =   0.002%
          HN    ALA   34 - HD3   PRO   52  28.85 +/- 2.68   0.225% *  0.1499% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.54, residual support = 13.5:
          HN    GLY   51 - HD3   PRO   52   2.93 +/- 1.01  99.384% * 99.4714% (0.92   3.54  13.51) =  99.997%  kept
          HN    VAL  107 - HD3   PRO   52  18.62 +/- 3.14   0.616% *  0.5286% (0.87   0.02   0.02) =   0.003%
    Distance limit 4.08 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.614, support = 1.66, residual support = 1.81:
          HN    ARG+  54 - HD2   PRO   52   4.40 +/- 0.17  66.534% * 83.3175% (0.61   1.76   1.91) =  93.498%  kept
          HN    PHE   55 - HD2   PRO   52   5.86 +/- 0.40  29.181% * 13.0436% (0.73   0.23   0.41) =   6.420%  kept
          HN    ASP-  62 - HD2   PRO   52  14.16 +/- 2.07   2.595% *  1.4383% (0.92   0.02   0.02) =   0.063%
          HN    LEU   31 - HD2   PRO   52  25.33 +/- 3.02   0.433% *  1.5037% (0.97   0.02   0.02) =   0.011%
          HN    ALA   88 - HD2   PRO   52  20.80 +/- 3.11   1.035% *  0.3885% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  38 - HD2   PRO   52  30.55 +/- 3.00   0.224% *  0.3084% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.57 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.19, residual support = 55.7:
          HN    CYS   53 - HD2   PRO   52   2.27 +/- 0.02  99.509% * 99.4794% (0.61   8.19  55.67) =  99.999%  kept
          HN    LEU   80 - HD2   PRO   52  18.31 +/- 3.87   0.291% *  0.1503% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  24.19 +/- 4.63   0.136% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.63 +/- 2.60   0.063% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.49, residual support = 7.87:
          QB    CYS   50 - HB3   CYS   53   4.07 +/- 0.98  74.999% * 96.8294% (0.92   1.49   7.90) =  99.612%  kept
          QE    LYS+  74 - HB3   CYS   53  10.76 +/- 3.37  17.782% *  1.3310% (0.95   0.02   0.02) =   0.325%  kept
          HB3   ASP-  78 - HB3   CYS   53  15.90 +/- 5.49   4.485% *  0.7966% (0.57   0.02   0.02) =   0.049%
          HB3   ASN   69 - HB3   CYS   53  21.34 +/- 3.03   0.723% *  0.7966% (0.57   0.02   0.02) =   0.008%
          HB2   PHE   72 - HB3   CYS   53  15.61 +/- 2.78   2.011% *  0.2464% (0.18   0.02   0.02) =   0.007%
    Distance limit 4.12 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 7.89:
        T QB    CYS   50 - HB2   CYS   53   3.47 +/- 0.85  84.053% * 99.6254% (0.92 10.00   1.50   7.90) =  99.981%  kept
          QE    LYS+  74 - HB2   CYS   53  10.62 +/- 3.36  10.348% *  0.1291% (0.90  1.00   0.02   0.02) =   0.016%
          HB2   PHE   72 - HB2   CYS   53  15.66 +/- 2.39   1.228% *  0.0815% (0.57  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  15.92 +/- 5.57   3.848% *  0.0252% (0.18  1.00   0.02   0.02) =   0.001%
          HB3   ASN   69 - HB2   CYS   53  21.29 +/- 2.76   0.523% *  0.1389% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.924, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   4.23 +/- 1.67  67.204% * 41.1882% (0.95 10.00   0.02   0.02) =  93.816%  kept
        T HG13  ILE   19 - HA    CYS   53  20.09 +/- 3.13   2.263% * 24.6510% (0.57 10.00   0.02   0.02) =   1.891%  kept
          QB    ALA   91 - HA    CYS   53  11.76 +/- 2.74  12.825% *  3.9049% (0.90  1.00   0.02   0.02) =   1.697%  kept
        T HG    LEU   71 - HA    CYS   53  20.25 +/- 4.06   3.187% * 13.4389% (0.31 10.00   0.02   0.02) =   1.452%  kept
          QG2   THR   23 - HA    CYS   53  19.00 +/- 4.10   4.406% *  1.9521% (0.45  1.00   0.02   0.02) =   0.292%  kept
          QG2   THR   39 - HA    CYS   53  19.56 +/- 2.43   1.979% *  3.9049% (0.90  1.00   0.02   0.02) =   0.262%  kept
          HG2   LYS+  74 - HA    CYS   53  13.42 +/- 3.36   5.130% *  1.4852% (0.34  1.00   0.02   0.02) =   0.258%  kept
          QB    ALA   34 - HA    CYS   53  19.75 +/- 1.91   1.847% *  3.4865% (0.80  1.00   0.02   0.02) =   0.218%  kept
          HG3   LYS+  38 - HA    CYS   53  29.13 +/- 3.22   0.542% *  4.3541% (1.00  1.00   0.02   0.02) =   0.080%
          HG3   LYS+  99 - HA    CYS   53  24.72 +/- 3.04   0.616% *  1.6341% (0.38  1.00   0.02   0.02) =   0.034%
    Distance limit 3.33 A violated in 9 structures by 1.18 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.77, residual support = 44.4:
      O   HN    CYS   53 - HA    CYS   53   2.75 +/- 0.05  99.101% * 99.7861% (0.61  10.0   4.77  44.36) =  99.999%  kept
          HN    LEU   80 - HA    CYS   53  18.20 +/- 3.89   0.492% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  23.11 +/- 4.29   0.263% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.25 +/- 2.30   0.144% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.91, residual support = 44.4:
      O   HN    CYS   53 - HB2   CYS   53   2.58 +/- 0.38  98.893% * 99.7861% (0.61  10.0   4.91  44.36) =  99.999%  kept
          HN    LEU   80 - HB2   CYS   53  17.14 +/- 3.77   0.640% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  22.17 +/- 4.30   0.325% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.11 +/- 2.34   0.142% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.955, support = 5.47, residual support = 31.4:
          HN    ARG+  54 - HB2   CYS   53   3.29 +/- 0.40  74.307% * 94.2787% (0.97   5.54  31.86) =  98.546%  kept
          HN    PHE   55 - HB2   CYS   53   5.08 +/- 0.23  20.899% *  4.8713% (0.31   0.89   0.02) =   1.432%  kept
          HN    ASP-  62 - HB2   CYS   53  10.90 +/- 2.37   4.374% *  0.3338% (0.95   0.02   0.02) =   0.021%
          HN    LEU   31 - HB2   CYS   53  22.91 +/- 2.78   0.275% *  0.3164% (0.90   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   CYS   53  27.95 +/- 2.56   0.146% *  0.1998% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.54, residual support = 31.9:
          HN    ARG+  54 - HB3   CYS   53   3.95 +/- 0.38  88.151% * 99.1989% (0.87   5.54  31.86) =  99.970%  kept
          HN    ASP-  62 - HB3   CYS   53  10.90 +/- 2.77  10.899% *  0.2173% (0.53   0.02   0.02) =   0.027%
          HN    LYS+  38 - HB3   CYS   53  27.79 +/- 2.80   0.318% *  0.3986% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   CYS   53  22.80 +/- 2.80   0.633% *  0.1852% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.92, residual support = 169.8:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.93 +/- 0.13  89.195% * 99.2214% (0.87  10.0 10.00   4.92 169.89) =  99.931%  kept
          QB    ALA   57 - HD2   ARG+  54   7.34 +/- 1.75   9.304% *  0.6506% (0.20   1.0  1.00   0.57   0.02) =   0.068%
          HD3   LYS+ 111 - HD2   ARG+  54  16.55 +/- 4.28   0.970% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  20.91 +/- 3.90   0.365% *  0.0513% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  25.46 +/- 3.37   0.167% *  0.0513% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.866, support = 3.62, residual support = 169.3:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  94.187% * 80.9720% (0.87  10.0 10.00   3.62 169.89) =  99.586%  kept
          QB    PHE   55 - HD3   ARG+  54   6.41 +/- 1.16   2.759% *  6.7968% (0.49   1.0  1.00   2.99   4.18) =   0.245%  kept
          HB3   CYS   53 - HD3   ARG+  54   8.06 +/- 0.69   1.064% * 12.0985% (0.80   1.0  1.00   3.24  31.86) =   0.168%  kept
          HD3   PRO   68 - HD3   ARG+  54  19.25 +/- 7.02   1.175% *  0.0528% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HD3   ARG+  54  14.23 +/- 3.60   0.386% *  0.0566% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.83 +/- 2.14   0.430% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.62, residual support = 169.9:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00  99.877% * 99.9131% (1.00  10.0 10.00   3.62 169.89) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  22.16 +/- 5.54   0.123% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 169.9:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.70 +/- 0.23  91.274% * 99.8484% (0.87  10.0 10.00   3.74 169.89) =  99.998%  kept
          QB    ALA   57 - HD3   ARG+  54   7.51 +/- 1.71   7.737% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LEU  123 - HD3   ARG+  54  21.11 +/- 3.89   0.328% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   ARG+  54  17.30 +/- 3.93   0.513% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  25.40 +/- 3.68   0.147% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.89, residual support = 169.8:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.64 +/- 0.30  86.155% * 97.6350% (0.49  10.0 10.00   3.89 169.89) =  99.920%  kept
        T HG3   PRO   68 - HD3   ARG+  54  20.17 +/- 8.02   7.087% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.069%
          HB    ILE   56 - HD3   ARG+  54  10.08 +/- 1.10   2.024% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.005%
          HB3   PRO   58 - HD3   ARG+  54  12.35 +/- 2.86   2.093% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   MET   92 - HD3   ARG+  54  15.97 +/- 3.93   1.229% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HD3   ARG+  54  20.45 +/- 2.30   0.234% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  21.56 +/- 4.13   0.237% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  22.07 +/- 3.97   0.200% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  24.36 +/- 4.01   0.172% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  22.81 +/- 3.07   0.213% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  30.89 +/- 5.70   0.116% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.51 +/- 3.83   0.121% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  26.83 +/- 3.79   0.120% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 169.9:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.21 +/- 0.56  87.532% * 99.0727% (0.73  10.0   4.03 169.89) =  99.989%  kept
          HB3   PRO   68 - HD3   ARG+  54  20.57 +/- 7.63   4.320% *  0.0883% (0.65   1.0   0.02   0.02) =   0.004%
          HB    ILE  119 - HD3   ARG+  54  16.21 +/- 2.63   0.982% *  0.1317% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   PRO   93 - HD3   ARG+  54  13.85 +/- 2.58   2.146% *  0.0561% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HD3   ARG+  54  20.98 +/- 5.61   1.881% *  0.0379% (0.28   1.0   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HD3   ARG+  54  16.36 +/- 3.15   1.148% *  0.0465% (0.34   1.0   0.02   0.02) =   0.001%
          HB    VAL  108 - HD3   ARG+  54  21.92 +/- 2.40   0.457% *  0.1092% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HD3   ARG+  54  24.31 +/- 4.12   0.315% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  24.83 +/- 4.12   0.287% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  23.51 +/- 5.01   0.533% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  31.67 +/- 5.41   0.145% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.29 +/- 5.44   0.254% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 169.9:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  95.351% * 97.1361% (0.92  10.0 10.00   4.97 169.89) =  99.990%  kept
        T HG3   PRO   68 - HG3   ARG+  54  19.85 +/- 7.25   0.830% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.008%
          HB    ILE   56 - HG3   ARG+  54   9.26 +/- 0.79   0.705% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - HG3   ARG+  54  25.92 +/- 3.68   0.037% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.88 +/- 1.30   1.465% *  0.0208% (0.20   1.0  1.00   0.02   1.91) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  15.49 +/- 3.92   1.084% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  19.08 +/- 3.31   0.105% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  21.58 +/- 3.88   0.082% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  21.16 +/- 3.63   0.078% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.75 +/- 2.22   0.077% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  21.99 +/- 2.98   0.060% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.10 +/- 3.63   0.036% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  23.63 +/- 3.95   0.061% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  30.15 +/- 5.39   0.030% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 169.9:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.68 +/- 0.30  93.264% * 97.7423% (0.31  10.0   5.12 169.89) =  99.985%  kept
          HB3   PRO   68 - HG3   ARG+  54  20.17 +/- 6.96   1.725% *  0.3104% (0.98   1.0   0.02   0.02) =   0.006%
          HB2   GLN   17 - HG3   ARG+  54  20.50 +/- 5.15   0.994% *  0.2175% (0.69   1.0   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HG3   ARG+  54  15.59 +/- 3.02   0.738% *  0.2420% (0.76   1.0   0.02   0.02) =   0.002%
          HB    ILE  119 - HG3   ARG+  54  15.67 +/- 1.92   0.605% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG3   ARG+  54  23.13 +/- 4.65   0.341% *  0.2175% (0.69   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   ARG+  54  24.12 +/- 4.10   0.257% *  0.2840% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   ARG+  54  23.63 +/- 4.02   0.268% *  0.1921% (0.61   1.0   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG3   ARG+  54  15.18 +/- 1.55   0.692% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  26.71 +/- 5.41   0.227% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  21.20 +/- 2.54   0.242% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  20.54 +/- 4.34   0.558% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  30.93 +/- 4.82   0.089% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 169.9:
      O   HA    ARG+  54 - HG3   ARG+  54   3.47 +/- 0.57  95.075% * 99.5710% (1.00  10.0   5.75 169.89) =  99.997%  kept
          HA    LEU  115 - HG3   ARG+  54  15.38 +/- 1.72   1.540% *  0.0604% (0.61   1.0   0.02   0.02) =   0.001%
          HA    ALA  124 - HG3   ARG+  54  24.63 +/- 3.49   0.453% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  22.13 +/- 3.81   0.595% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  25.26 +/- 4.35   0.430% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  16.75 +/- 1.70   1.136% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.05 +/- 4.41   0.317% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  33.01 +/- 4.85   0.170% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.31 +/- 4.97   0.283% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 169.9:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.70 +/- 0.23  99.338% * 99.9462% (0.76  10.0 10.00   3.74 169.89) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  21.33 +/- 5.80   0.662% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.856, support = 4.88, residual support = 163.0:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.93 +/- 0.13  69.121% * 76.9989% (0.87  10.0 10.00   4.92 169.89) =  95.481%  kept
          QB    PHE   55 - HG3   ARG+  54   5.48 +/- 1.25  17.300% *  8.0964% (0.49   1.0  1.00   3.75   4.18) =   2.513%  kept
          HB3   CYS   53 - HG3   ARG+  54   7.02 +/- 0.99   7.549% * 14.7785% (0.80   1.0  1.00   4.16  31.86) =   2.001%  kept
          HD3   PRO   68 - HG3   ARG+  54  18.86 +/- 6.29   2.649% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG3   ARG+  54  13.69 +/- 3.67   1.854% *  0.0538% (0.61   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG3   ARG+  54  11.19 +/- 1.64   1.528% *  0.0221% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.69, residual support = 169.9:
          HN    ARG+  54 - HG3   ARG+  54   3.66 +/- 0.64  93.763% * 99.3363% (0.87   6.69 169.89) =  99.988%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.13 +/- 2.74   5.408% *  0.1800% (0.53   0.02   0.02) =   0.010%
          HN    LYS+  38 - HG3   ARG+  54  29.84 +/- 4.88   0.289% *  0.3302% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG3   ARG+  54  25.46 +/- 4.08   0.540% *  0.1534% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 169.9:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  91.162% * 98.1061% (0.87  10.0 10.00   4.97 169.89) =  99.990%  kept
        T HB3   LEU  123 - HG3   PRO   68  15.01 +/- 7.52   2.172% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   ARG+  54 - HG3   PRO   68  19.85 +/- 7.25   0.795% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HG3   PRO   68  15.73 +/- 3.59   0.963% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG2   ARG+  54   6.24 +/- 1.48   4.073% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.23 +/- 3.75   0.193% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG2   ARG+  54  20.08 +/- 3.43   0.087% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  24.77 +/- 2.87   0.039% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  23.19 +/- 4.85   0.274% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  14.34 +/- 2.70   0.242% *  0.0060% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.157, support = 3.24, residual support = 36.2:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  71.854% * 33.8555% (0.12  10.0  1.00   2.31  36.22) =  63.890%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.72 +/- 0.31  21.791% * 63.0750% (0.22  10.0  1.00   4.89  36.22) =  36.099%  kept
          HB3   PRO   68 - HG2   ARG+  54  20.06 +/- 6.21   0.249% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HG2   ARG+  54  19.46 +/- 6.45   0.422% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG2   ARG+  54  15.19 +/- 2.99   0.156% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG2   ARG+  54  20.48 +/- 4.67   0.104% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   68  16.38 +/- 3.86   1.667% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG3   PRO   68  12.34 +/- 2.44   0.327% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG2   ARG+  54  14.69 +/- 1.55   0.139% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   GLN   30 - HG2   ARG+  54  23.55 +/- 3.41   0.041% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HG3   PRO   68  21.29 +/- 4.56   0.279% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HG3   PRO   68  14.95 +/- 2.72   0.522% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - HG3   PRO   68  16.84 +/- 4.32   0.572% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HG3   PRO   68  14.00 +/- 5.22   1.040% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   PRO   68  13.13 +/- 1.74   0.206% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  23.07 +/- 4.14   0.047% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  26.77 +/- 5.13   0.048% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  20.54 +/- 3.77   0.077% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  14.97 +/- 2.14   0.148% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  24.63 +/- 4.97   0.072% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  17.18 +/- 3.05   0.107% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.09 +/- 3.45   0.038% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  18.45 +/- 2.62   0.074% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  30.64 +/- 4.31   0.018% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.744, support = 4.85, residual support = 142.9:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.63 +/- 0.26  38.128% * 68.3327% (0.87  10.0 10.00   4.90 169.89) =  80.436%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.51 +/- 0.29  43.094% * 11.9011% (0.15  10.0  1.00   4.84  36.22) =  15.834%  kept
          QB    PHE   55 - HG2   ARG+  54   5.00 +/- 1.59  11.636% *  6.8588% (0.49   1.0  1.00   3.58   4.18) =   2.464%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.32 +/- 0.72   3.246% * 12.5680% (0.80   1.0  1.00   3.98  31.86) =   1.260%  kept
        T HD2   ARG+  54 - HG3   PRO   68  20.20 +/- 7.45   0.813% *  0.1823% (0.23   1.0 10.00   0.02   0.02) =   0.005%
          HD3   PRO   93 - HG2   ARG+  54  13.29 +/- 3.89   0.899% *  0.0478% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG2   ARG+  54  18.68 +/- 5.61   0.437% *  0.0446% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   ARG+  54  10.55 +/- 1.64   0.726% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  17.47 +/- 4.18   0.281% *  0.0102% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  13.87 +/- 3.14   0.509% *  0.0052% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  19.51 +/- 4.42   0.158% *  0.0168% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  22.15 +/- 2.75   0.073% *  0.0127% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 169.9:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.64 +/- 0.30  92.400% * 99.7339% (0.31  10.0 10.00   3.89 169.89) =  99.978%  kept
        T HD3   ARG+  54 - HG3   PRO   68  20.17 +/- 8.02   7.600% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.022%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 169.8:
      O T HA    ARG+  54 - HG2   ARG+  54   2.94 +/- 0.66  76.502% * 97.8074% (1.00  10.0 10.00   5.69 169.89) =  99.970%  kept
        T HA    ARG+  54 - HG3   PRO   68  18.25 +/- 5.90   3.276% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.011%
        T HA    LEU  115 - HG2   ARG+  54  14.78 +/- 1.64   1.030% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.008%
        T HA    LYS+  81 - HG2   ARG+  54  21.94 +/- 3.90   0.377% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.003%
        T HA    LEU  115 - HG3   PRO   68  15.86 +/- 2.92   0.832% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - HG3   PRO   68  16.51 +/- 7.62   4.851% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HG3   PRO   68  15.02 +/- 3.17   7.686% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  81 - HG3   PRO   68  24.70 +/- 2.87   0.208% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  23.89 +/- 3.78   0.343% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  19.70 +/- 4.36   1.659% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.15 +/- 3.95   0.255% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  16.19 +/- 1.72   0.744% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.73 +/- 3.63   0.878% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  26.90 +/- 3.66   0.174% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  32.87 +/- 4.10   0.094% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.02 +/- 4.40   0.156% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.44 +/- 1.99   0.397% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  18.84 +/- 3.74   0.538% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.61, residual support = 169.9:
          HN    ARG+  54 - HG2   ARG+  54   3.13 +/- 0.51  82.017% * 99.0707% (0.87   6.61 169.89) =  99.982%  kept
          HN    ASP-  62 - HG2   ARG+  54  11.71 +/- 2.45   3.379% *  0.1818% (0.53   0.02   0.02) =   0.008%
          HN    LEU   31 - HG3   PRO   68  17.88 +/- 4.10   8.841% *  0.0413% (0.12   0.02   0.02) =   0.004%
          HN    LYS+  38 - HG3   PRO   68  16.14 +/- 3.04   1.702% *  0.0890% (0.26   0.02   0.02) =   0.002%
          HN    ASP-  62 - HG3   PRO   68  11.53 +/- 1.99   2.564% *  0.0485% (0.14   0.02   0.02) =   0.002%
          HN    ARG+  54 - HG3   PRO   68  19.64 +/- 5.72   1.137% *  0.0800% (0.23   0.02   0.02) =   0.001%
          HN    LYS+  38 - HG2   ARG+  54  29.67 +/- 4.15   0.122% *  0.3336% (0.97   0.02   0.02) =   0.001%
          HN    LEU   31 - HG2   ARG+  54  25.35 +/- 3.51   0.238% *  0.1550% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.88, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   6.48 +/- 1.54  48.757% * 19.4000% (0.97   0.02   0.02) =  63.750%  kept
          HD2   LYS+  74 - HB3   ARG+  54  14.47 +/- 4.46  17.825% * 14.5972% (0.73   0.02   0.02) =  17.537%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  15.99 +/- 3.98   6.413% * 19.7041% (0.98   0.02   0.02) =   8.517%  kept
          QD    LYS+  65 - HB3   ARG+  54  13.40 +/- 4.26  20.403% *  3.5205% (0.18   0.02   0.02) =   4.841%  kept
          HB3   LEU  123 - HB3   ARG+  54  20.34 +/- 3.04   2.245% * 19.4000% (0.97   0.02   0.02) =   2.935%  kept
          QD    LYS+  33 - HB3   ARG+  54  24.29 +/- 3.37   1.205% * 19.4000% (0.97   0.02   0.02) =   1.575%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  19.32 +/- 2.64   3.152% *  3.9782% (0.20   0.02   0.02) =   0.845%  kept
    Distance limit 3.11 A violated in 15 structures by 2.62 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.37, residual support = 169.9:
      O   HN    ARG+  54 - HB3   ARG+  54   3.14 +/- 0.62  93.315% * 99.7769% (0.87  10.0   5.37 169.89) =  99.996%  kept
          HN    ASP-  62 - HB3   ARG+  54  11.37 +/- 2.92   6.134% *  0.0605% (0.53   1.0   0.02   0.02) =   0.004%
          HN    LYS+  38 - HB3   ARG+  54  29.20 +/- 4.85   0.221% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  24.78 +/- 3.67   0.329% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 169.9:
      O   HN    ARG+  54 - HB2   ARG+  54   2.50 +/- 0.41  94.025% * 99.6984% (0.87  10.0   6.60 169.89) =  99.998%  kept
          HN    ASP-  62 - HB2   ARG+  54  11.73 +/- 2.84   2.087% *  0.0605% (0.53   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   GLU-  14  15.78 +/- 4.83   0.939% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  29.60 +/- 4.37   0.083% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  24.98 +/- 3.40   0.153% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  15.75 +/- 3.86   0.779% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.31 +/- 5.88   0.479% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.64 +/- 3.43   0.388% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  19.73 +/- 5.81   0.655% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  26.12 +/- 4.24   0.120% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  23.80 +/- 4.27   0.195% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  30.32 +/- 5.71   0.097% *  0.0096% (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 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.25, support = 1.42, residual support = 27.7:
          QE    PHE   59 - HA    LEU  115   3.39 +/- 0.74  50.889% * 69.4619% (0.25   1.50  29.11) =  93.982%  kept
          QD    PHE   60 - HA    LEU  115   9.37 +/- 2.17  10.400% * 10.3183% (0.17   0.32   0.02) =   2.853%  kept
          HN    PHE   59 - HA    LEU  115   8.44 +/- 1.53   6.588% *  7.4926% (0.13   0.32  29.11) =   1.312%  kept
          QD    PHE   60 - HA    ARG+  54   6.67 +/- 2.12  17.635% *  2.1281% (0.57   0.02   0.02) =   0.998%  kept
          QE    PHE   59 - HA    ARG+  54  10.06 +/- 1.74   3.525% *  3.0099% (0.80   0.02   0.02) =   0.282%  kept
          HN    LYS+  66 - HA    ARG+  54  13.81 +/- 3.91   2.663% *  3.6845% (0.98   0.02   0.02) =   0.261%  kept
          HN    PHE   59 - HA    ARG+  54   7.76 +/- 1.15   6.252% *  1.5453% (0.41   0.02   0.02) =   0.257%  kept
          HN    LYS+  66 - HA    LEU  115  13.63 +/- 2.00   1.519% *  1.1337% (0.30   0.02   0.02) =   0.046%
          HN    LYS+  81 - HA    ARG+  54  21.23 +/- 3.29   0.301% *  0.9373% (0.25   0.02   0.02) =   0.007%
          HN    LYS+  81 - HA    LEU  115  21.78 +/- 1.71   0.228% *  0.2884% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.876, support = 6.14, residual support = 147.5:
      O   HN    ARG+  54 - HA    ARG+  54   2.76 +/- 0.07  62.211% * 75.5578% (0.97  10.0   6.58 169.89) =  86.491%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.51 +/- 0.03  30.368% * 24.1648% (0.31  10.0   3.27   4.18) =  13.503%  kept
          HN    ASP-  62 - HA    ARG+  54   9.56 +/- 2.58   3.913% *  0.0741% (0.95   1.0   0.02   0.02) =   0.005%
          HN    ASP-  62 - HA    LEU  115  10.72 +/- 1.66   1.627% *  0.0228% (0.29   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - HA    LEU  115  13.31 +/- 1.71   0.654% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  23.53 +/- 3.10   0.130% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.36 +/- 1.29   0.774% *  0.0074% (0.09   1.0   0.02   3.66) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  27.87 +/- 4.02   0.078% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  21.88 +/- 2.19   0.140% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.15 +/- 2.62   0.105% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.565, support = 4.3, residual support = 22.8:
          HN    ILE   56 - QB    PHE   55   2.98 +/- 0.43  80.039% * 95.2642% (0.57   4.32  22.92) =  99.553%  kept
          QE    PHE   60 - QB    PHE   55   7.86 +/- 2.36  12.975% *  2.4528% (0.25   0.25   0.02) =   0.416%  kept
          HN    LEU   63 - QB    PHE   55  11.02 +/- 1.37   2.231% *  0.5348% (0.69   0.02   0.02) =   0.016%
          HN    LYS+ 111 - QB    PHE   55  11.13 +/- 3.97   3.639% *  0.1733% (0.22   0.02   0.02) =   0.008%
          HZ2   TRP   87 - QB    PHE   55  19.94 +/- 3.11   0.461% *  0.6503% (0.84   0.02   0.02) =   0.004%
          HD21  ASN   28 - QB    PHE   55  22.02 +/- 3.45   0.279% *  0.7513% (0.97   0.02   0.02) =   0.003%
          HN    ALA   84 - QB    PHE   55  19.84 +/- 3.04   0.376% *  0.1733% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 3.03, residual support = 21.1:
      O   HN    PHE   55 - QB    PHE   55   2.06 +/- 0.18  88.540% * 87.1653% (0.73  10.0   3.03  21.40) =  98.317%  kept
          HN    ARG+  54 - QB    PHE   55   4.22 +/- 0.29  10.513% * 12.5544% (0.61   1.0   3.45   4.18) =   1.681%  kept
          HN    ASP-  62 - QB    PHE   55  10.54 +/- 0.68   0.699% *  0.1108% (0.92   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - QB    PHE   55  22.83 +/- 2.21   0.074% *  0.1158% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  20.54 +/- 3.00   0.127% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.17 +/- 2.47   0.048% *  0.0238% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.856, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   7.37 +/- 1.53  74.572% * 36.5548% (0.90   0.02   0.02) =  85.256%  kept
          HN    LYS+  66 - QB    PHE   55  14.22 +/- 1.93  14.646% * 16.7569% (0.41   0.02   0.02) =   7.676%  kept
          HN    LYS+  81 - QB    PHE   55  20.72 +/- 3.53   4.638% * 40.3993% (0.99   0.02   0.02) =   5.860%  kept
          HE3   TRP   27 - QB    PHE   55  18.75 +/- 2.46   6.144% *  6.2891% (0.15   0.02   0.02) =   1.208%  kept
    Distance limit 3.28 A violated in 20 structures by 4.02 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.255, support = 5.93, residual support = 123.0:
      O   HN    ILE   56 - HB    ILE   56   3.63 +/- 0.28  74.424% * 91.3813% (0.25  10.0   6.04 125.40) =  98.049%  kept
          QE    PHE   60 - HB    ILE   56   7.60 +/- 1.91  17.205% *  7.7805% (0.57   1.0   0.75   4.45) =   1.930%  kept
          HN    LEU   63 - HB    ILE   56   8.68 +/- 0.99   6.598% *  0.1250% (0.34   1.0   0.02   0.02) =   0.012%
          HZ2   TRP   87 - HB    ILE   56  20.24 +/- 3.32   1.397% *  0.3665% (1.00   1.0   0.02   0.02) =   0.007%
          HD21  ASN   28 - HB    ILE   56  22.71 +/- 2.75   0.376% *  0.3467% (0.95   1.0   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.491, support = 2.34, residual support = 18.6:
          QD    PHE   55 - HB    ILE   56   4.50 +/- 0.58  61.767% * 62.9657% (0.41   2.74  22.92) =  80.806%  kept
          QE    PHE   95 - HB    ILE   56   7.30 +/- 2.26  27.914% * 32.7880% (0.84   0.70   0.29) =  19.016%  kept
          HN    LEU   67 - HB    ILE   56  13.81 +/- 1.48   2.737% *  1.1096% (0.99   0.02   0.02) =   0.063%
          HD1   TRP   49 - HB    ILE   56  13.88 +/- 2.24   2.608% *  0.8556% (0.76   0.02   0.02) =   0.046%
          HD2   HIS   22 - HB    ILE   56  21.32 +/- 5.51   2.290% *  0.6790% (0.61   0.02   0.02) =   0.032%
          HN    THR   23 - HB    ILE   56  20.82 +/- 4.14   1.237% *  0.9711% (0.87   0.02   0.02) =   0.025%
          HE3   TRP   27 - HB    ILE   56  18.60 +/- 2.26   1.149% *  0.3819% (0.34   0.02   0.02) =   0.009%
          HD21  ASN   35 - HB    ILE   56  28.26 +/- 2.53   0.297% *  0.2492% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.24 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.74, residual support = 125.4:
      O T QD1   ILE   56 - HB    ILE   56   2.93 +/- 0.38  89.374% * 99.4902% (0.87  10.0 10.00   4.74 125.40) =  99.979%  kept
        T QD2   LEU  123 - HB    ILE   56  11.10 +/- 3.01   5.080% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.016%
          QD2   LEU   73 - HB    ILE   56  13.74 +/- 3.10   3.238% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 121 - HB    ILE   56  14.35 +/- 2.78   2.040% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HB    ILE   56  21.59 +/- 2.08   0.268% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.09, residual support = 125.4:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  97.054% * 98.2187% (0.87  10.0 10.00   4.09 125.40) =  99.985%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.47 +/- 2.51   1.295% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.009%
        T HG3   LYS+ 121 - QG1   ILE   56  12.54 +/- 1.73   0.459% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU  123 - QG1   ILE   56  10.09 +/- 2.09   1.072% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.31 +/- 1.83   0.120% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 5.25, residual support = 125.4:
        T QG2   ILE   56 - QD1   ILE   56   2.32 +/- 0.53  93.239% * 98.5057% (0.72 10.00   5.25 125.40) =  99.991%  kept
        T QB    ALA   34 - QD1   ILE   56  15.06 +/- 1.49   0.476% *  1.1899% (0.87 10.00   0.02   0.02) =   0.006%
          QB    ALA   91 - QD1   ILE   56  10.72 +/- 2.46   2.351% *  0.0398% (0.29  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - QD1   ILE   56  16.00 +/- 2.85   0.547% *  0.1263% (0.93  1.00   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56  10.10 +/- 2.84   2.649% *  0.0255% (0.19  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD1   ILE   56  14.67 +/- 1.96   0.562% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.02 +/- 2.98   0.175% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.892, support = 1.81, residual support = 1.74:
          QB    ALA   61 - QD1   ILE   56   6.33 +/- 0.96  22.363% * 68.7768% (0.94  1.00   2.09   2.14) =  80.292%  kept
          QB    ALA  110 - QD1   ILE   56   8.98 +/- 2.76  12.263% * 22.2254% (0.85  1.00   0.75   0.14) =  14.228%  kept
          HB3   LEU  115 - QD1   ILE   56   5.64 +/- 1.60  26.281% *  3.2741% (0.21  1.00   0.45   0.12) =   4.492%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  11.96 +/- 1.73   3.443% *  1.8341% (0.26 10.00   0.02   0.02) =   0.330%  kept
          QG    LYS+  66 - QD1   ILE   56  10.31 +/- 1.93   6.653% *  0.5722% (0.82  1.00   0.02   0.02) =   0.199%  kept
          HG    LEU   73 - QD1   ILE   56  13.44 +/- 3.23   5.008% *  0.4531% (0.65  1.00   0.02   0.02) =   0.118%  kept
          HB3   LEU   67 - QD1   ILE   56  12.41 +/- 1.84   3.040% *  0.6466% (0.93  1.00   0.02   0.02) =   0.103%  kept
          HG12  ILE   19 - QD1   ILE   56  15.32 +/- 2.40   1.840% *  0.5510% (0.79  1.00   0.02   0.02) =   0.053%
          HB3   LYS+  74 - QD1   ILE   56  12.32 +/- 2.59   5.953% *  0.1645% (0.24  1.00   0.02   0.02) =   0.051%
          HG    LEU   80 - QD1   ILE   56  16.12 +/- 2.48   1.318% *  0.6089% (0.87  1.00   0.02   0.02) =   0.042%
          HG    LEU   67 - QD1   ILE   56  12.59 +/- 2.23   6.271% *  0.1018% (0.15  1.00   0.02   0.02) =   0.033%
          HG    LEU   40 - QD1   ILE   56  13.71 +/- 2.64   3.532% *  0.1469% (0.21  1.00   0.02   0.02) =   0.027%
          HB2   LEU   80 - QD1   ILE   56  15.83 +/- 1.99   1.316% *  0.2712% (0.39  1.00   0.02   0.02) =   0.019%
          HG2   LYS+ 102 - QD1   ILE   56  20.35 +/- 2.50   0.719% *  0.3735% (0.54  1.00   0.02   0.02) =   0.014%
    Distance limit 3.20 A violated in 12 structures by 1.51 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 4.09, residual support = 125.4:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  92.828% * 98.9931% (0.85  10.0 10.00   4.09 125.40) =  99.991%  kept
        T HB2   LEU   73 - QD1   ILE   56  12.97 +/- 3.03   0.761% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.005%
          HB3   MET   92 - QD1   ILE   56   9.74 +/- 3.52   3.780% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  99 - QD1   ILE   56  15.67 +/- 3.13   0.507% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56  10.41 +/- 3.07   1.157% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.60 +/- 3.11   0.357% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  12.96 +/- 1.39   0.324% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  14.18 +/- 2.23   0.286% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.724, support = 4.71, residual support = 124.2:
      O T HB    ILE   56 - QD1   ILE   56   2.93 +/- 0.38  81.133% * 90.0942% (0.72  10.0 10.00   4.74 125.40) =  99.024%  kept
          HB3   PRO   58 - QD1   ILE   56   6.69 +/- 0.56   8.442% *  8.3592% (0.85   1.0  1.00   1.58   0.02) =   0.956%  kept
          HB2   MET   92 - QD1   ILE   56  10.94 +/- 3.56   5.948% *  0.1168% (0.94   1.0  1.00   0.02   0.02) =   0.009%
        T HB3   GLN   30 - QD1   ILE   56  17.12 +/- 1.81   0.525% *  1.1685% (0.94   1.0 10.00   0.02   0.02) =   0.008%
          QB    LYS+ 106 - QD1   ILE   56  11.71 +/- 1.35   1.551% *  0.0402% (0.32   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QD1   ILE   56  21.07 +/- 2.79   0.348% *  0.1057% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  15.91 +/- 2.83   0.848% *  0.0294% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.75 +/- 2.39   0.630% *  0.0364% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.16 +/- 1.90   0.360% *  0.0233% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  24.93 +/- 4.16   0.216% *  0.0262% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.789, support = 1.3, residual support = 4.89:
        T HA    LYS+ 112 - QD1   ILE   56   5.75 +/- 2.56  46.770% * 99.7877% (0.79 10.00   1.30   4.90) =  99.915%  kept
          HB2   HIS  122 - QD1   ILE   56  11.24 +/- 2.64  21.085% *  0.1043% (0.54  1.00   0.02   0.02) =   0.047%
          HB    THR   46 - QD1   ILE   56   7.87 +/- 1.70  22.385% *  0.0568% (0.29  1.00   0.02   0.02) =   0.027%
          HB2   HIS   22 - QD1   ILE   56  17.02 +/- 4.49   9.760% *  0.0512% (0.26  1.00   0.02   0.02) =   0.011%
    Distance limit 3.23 A violated in 10 structures by 2.57 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 3.71, residual support = 21.9:
          HA    PHE   55 - QD1   ILE   56   4.21 +/- 0.73  66.057% * 86.2931% (0.76   3.87  22.92) =  95.445%  kept
          HA    ALA  110 - QD1   ILE   56  10.47 +/- 3.39  21.185% * 12.7081% (0.94   0.46   0.14) =   4.508%  kept
          HA    VAL  107 - QD1   ILE   56  10.59 +/- 1.56   4.836% *  0.2090% (0.36   0.02   0.02) =   0.017%
          HA    GLN   90 - QD1   ILE   56  15.12 +/- 2.73   1.880% *  0.5268% (0.89   0.02   0.02) =   0.017%
          HA    ALA   91 - QD1   ILE   56  13.15 +/- 2.99   3.637% *  0.1389% (0.24   0.02   0.02) =   0.008%
          HA    VAL   42 - QD1   ILE   56  12.66 +/- 1.14   2.405% *  0.1240% (0.21   0.02   0.02) =   0.005%
    Distance limit 3.11 A violated in 1 structures by 0.88 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56   9.68 +/- 1.51 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.41 A violated in 20 structures by 6.27 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.294, support = 1.57, residual support = 20.2:
          HN    PHE   59 - QD1   ILE   56   4.07 +/- 0.56  90.658% * 93.1440% (0.29   1.58  20.27) =  99.625%  kept
          HN    HIS  122 - QD1   ILE   56  10.74 +/- 1.62   5.763% *  3.3214% (0.82   0.02   0.02) =   0.226%  kept
          HH2   TRP   87 - QD1   ILE   56  16.34 +/- 2.37   3.578% *  3.5346% (0.87   0.02   0.02) =   0.149%  kept
    Distance limit 3.50 A violated in 0 structures by 0.64 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.63, residual support = 31.9:
          HN    ALA   57 - QD1   ILE   56   2.90 +/- 0.88  70.251% * 98.3777% (0.42   4.64  31.96) =  99.840%  kept
          HE21  GLN  116 - QD1   ILE   56   6.72 +/- 2.57  28.654% *  0.3549% (0.36   0.02   0.02) =   0.147%  kept
          HE21  GLN   90 - QD1   ILE   56  16.98 +/- 3.42   0.882% *  0.9126% (0.91   0.02   0.02) =   0.012%
          HD21  ASN   35 - QD1   ILE   56  22.80 +/- 2.03   0.213% *  0.3549% (0.36   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.285, support = 5.36, residual support = 105.7:
          HN    ILE   56 - QD1   ILE   56   2.50 +/- 0.94  66.555% * 65.6755% (0.24   6.14 125.40) =  83.682%  kept
          QE    PHE   60 - QD1   ILE   56   5.37 +/- 2.07  26.258% * 32.3632% (0.54   1.33   4.45) =  16.269%  kept
          HN    LEU   63 - QD1   ILE   56   6.92 +/- 1.65   6.363% *  0.2925% (0.32   0.02   0.02) =   0.036%
          HZ2   TRP   87 - QD1   ILE   56  16.01 +/- 2.14   0.516% *  0.8576% (0.95   0.02   0.02) =   0.008%
          HD21  ASN   28 - QD1   ILE   56  18.05 +/- 2.23   0.308% *  0.8113% (0.89   0.02   0.02) =   0.005%
    Distance limit 3.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 0.953, residual support = 4.85:
          HN    LYS+ 112 - QD1   ILE   56   6.84 +/- 3.05  58.560% * 95.4375% (0.50   0.96   4.90) =  99.001%  kept
          HN    ASP-  78 - QD1   ILE   56  14.48 +/- 3.59  12.451% *  2.4379% (0.61   0.02   0.02) =   0.538%  kept
          HN    VAL   75 - QD1   ILE   56  11.21 +/- 1.99  25.194% *  0.8390% (0.21   0.02   0.02) =   0.374%  kept
          HN    MET   11 - QD1   ILE   56  25.18 +/- 4.09   3.796% *  1.2855% (0.32   0.02   0.02) =   0.086%
    Distance limit 3.75 A violated in 10 structures by 2.53 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.3:
        T HB3   PHE   59 - QG1   ILE   56   2.90 +/- 0.91  93.791% * 99.8494% (0.38 10.00   3.00  20.27) =  99.990%  kept
          HB2   PHE   95 - QG1   ILE   56   8.80 +/- 1.82   6.209% *  0.1506% (0.57  1.00   0.02   0.29) =   0.010%
    Distance limit 3.70 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.387, support = 2.68, residual support = 20.4:
        T HB2   PHE   59 - QG1   ILE   56   3.16 +/- 0.98  47.092% * 70.2070% (0.34 10.00   2.48  20.27) =  84.030%  kept
          QB    PHE   55 - QG1   ILE   56   4.68 +/- 1.14  23.564% * 24.8451% (0.61  1.00   3.98  22.92) =  14.879%  kept
          HD2   ARG+  54 - QG1   ILE   56   8.37 +/- 1.34   7.925% *  2.8348% (0.95  1.00   0.29   0.02) =   0.571%  kept
          HB3   CYS   53 - QG1   ILE   56   6.51 +/- 1.25  10.310% *  1.8223% (0.90  1.00   0.20   0.02) =   0.478%  kept
          HD3   PRO   93 - QG1   ILE   56  10.31 +/- 3.45  10.066% *  0.1495% (0.73  1.00   0.02   0.02) =   0.038%
          HD3   PRO   68 - QG1   ILE   56  13.18 +/- 2.23   1.043% *  0.1414% (0.69  1.00   0.02   0.02) =   0.004%
    Distance limit 4.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.03 +/- 1.21 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.97 A violated in 20 structures by 6.06 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.2:
          QD    PHE   59 - QG1   ILE   56   3.22 +/- 0.62  91.701% * 96.4436% (0.34   1.97  20.27) =  99.884%  kept
          HN    HIS  122 - QG1   ILE   56  10.60 +/- 1.94   4.724% *  1.1801% (0.41   0.02   0.02) =   0.063%
          HH2   TRP   87 - QG1   ILE   56  17.39 +/- 2.77   2.777% *  1.3972% (0.49   0.02   0.02) =   0.044%
          HD1   TRP   27 - QG1   ILE   56  18.15 +/- 2.21   0.799% *  0.9791% (0.34   0.02   0.02) =   0.009%
    Distance limit 3.74 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.25, support = 5.01, residual support = 125.2:
      O   HN    ILE   56 - HA    ILE   56   2.78 +/- 0.15  91.097% * 96.3520% (0.25  10.0   5.01 125.40) =  99.813%  kept
          QE    PHE   60 - HA    ILE   56   8.05 +/- 1.70   5.728% *  2.7642% (0.57   1.0   0.25   4.45) =   0.180%  kept
          HN    LEU   63 - HA    ILE   56   9.83 +/- 1.17   2.466% *  0.1318% (0.34   1.0   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HA    ILE   56  21.84 +/- 3.45   0.528% *  0.3864% (1.00   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    ILE   56  24.04 +/- 3.04   0.182% *  0.3655% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.06, residual support = 24.9:
        T HD2   PRO   58 - QB    ALA   57   2.48 +/- 0.46  72.868% * 98.8080% (0.95 10.00   5.07  24.90) =  99.983%  kept
          HB2   CYS   53 - QB    ALA   57   6.50 +/- 2.68  26.409% *  0.0356% (0.34  1.00   0.02   0.02) =   0.013%
        T HA    VAL   83 - QB    ALA   57  19.54 +/- 2.40   0.214% *  1.0238% (0.98 10.00   0.02   0.02) =   0.003%
          HA    GLU- 100 - QB    ALA   57  21.24 +/- 3.46   0.265% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  21.01 +/- 3.27   0.244% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.84, residual support = 24.1:
      O   HN    ALA   57 - QB    ALA   57   2.75 +/- 0.42  83.927% * 98.4865% (0.18  10.0   4.84  24.14) =  99.954%  kept
          HN    ALA  124 - QB    ALA   57  14.71 +/- 3.47   1.964% *  0.4697% (0.84   1.0   0.02   0.02) =   0.011%
          HE21  GLN  116 - QB    ALA   57   8.81 +/- 2.49   6.855% *  0.1252% (0.22   1.0   0.02   0.02) =   0.010%
          HN    ALA  120 - QB    ALA   57  10.88 +/- 1.96   2.542% *  0.3184% (0.57   1.0   0.02   0.02) =   0.010%
          HN    LEU  123 - QB    ALA   57  12.45 +/- 2.90   3.219% *  0.1918% (0.34   1.0   0.02   0.02) =   0.007%
          HE21  GLN   17 - QB    ALA   57  15.97 +/- 3.66   1.493% *  0.4084% (0.73   1.0   0.02   0.02) =   0.007%
    Distance limit 2.90 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.44, residual support = 24.1:
      O   HN    ALA   57 - HA    ALA   57   2.67 +/- 0.20  93.793% * 99.6015% (0.57  10.0   4.44  24.14) =  99.993%  kept
          HE21  GLN  116 - HA    ALA   57  10.29 +/- 2.92   4.119% *  0.1138% (0.65   1.0   0.02   0.02) =   0.005%
          HN    ALA  120 - HA    ALA   57  12.76 +/- 1.05   0.961% *  0.1698% (0.97   1.0   0.02   0.02) =   0.002%
          HN    ALA  124 - HA    ALA   57  17.65 +/- 2.87   0.576% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  18.23 +/- 4.15   0.550% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.1:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.02  87.815% * 98.9094% (0.53  10.0 10.00   2.81  24.14) =  99.992%  kept
          HG3   PRO   93 - HA    ALA   57  11.85 +/- 5.46   8.697% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          QD    LYS+  65 - HA    ALA   57  10.98 +/- 2.04   0.991% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HA    ALA   57  12.91 +/- 3.62   0.745% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    ALA   57  14.20 +/- 1.97   0.394% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    ALA   57  15.81 +/- 3.49   0.334% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  20.58 +/- 2.97   0.118% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  22.91 +/- 4.15   0.112% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  15.94 +/- 2.31   0.289% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  15.21 +/- 1.94   0.311% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.94 +/- 3.38   0.092% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.21 +/- 2.54   0.103% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.567, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.48 +/- 1.09  60.043% *  5.7685% (0.15   0.02   0.02) =  28.095%  kept
          HN    GLN   32 - HB2   PRO   58  24.76 +/- 2.71   9.253% * 37.3861% (1.00   0.02   0.02) =  28.061%  kept
          HN    SER   85 - HB2   PRO   58  25.54 +/- 2.67   7.827% * 29.9364% (0.80   0.02   0.02) =  19.005%  kept
          HN    ALA   34 - HB2   PRO   58  23.54 +/- 2.65  11.024% * 15.3699% (0.41   0.02   0.02) =  13.744%  kept
          HN    LEU   80 - HB2   PRO   58  22.22 +/- 2.30  11.853% * 11.5391% (0.31   0.02   0.02) =  11.095%  kept
    Distance limit 3.98 A violated in 20 structures by 8.27 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.61, support = 6.21, residual support = 39.4:
      O   HN    PHE   59 - HB3   PRO   58   3.77 +/- 0.36  65.153% * 89.1494% (0.61  10.0   6.30  39.45) =  98.165%  kept
          QE    PHE   59 - HB3   PRO   58   7.85 +/- 0.92   9.901% * 10.1469% (0.83   1.0   1.67  39.45) =   1.698%  kept
          QD    PHE   60 - HB3   PRO   58   7.21 +/- 0.87  13.185% *  0.5667% (0.23   1.0   0.33   0.02) =   0.126%  kept
          HN    LYS+  66 - HB3   PRO   58  10.48 +/- 2.62   4.957% *  0.0938% (0.64   1.0   0.02   0.02) =   0.008%
          HN    HIS  122 - HB3   PRO   58  11.42 +/- 2.92   6.374% *  0.0243% (0.17   1.0   0.02   0.02) =   0.003%
          HH2   TRP   87 - HB3   PRO   58  22.26 +/- 3.51   0.431% *  0.0189% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.2:
      O   HD2   PRO   58 - HG3   PRO   58   2.61 +/- 0.28  97.802% * 99.7269% (0.95  10.0   5.39 147.17) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   58  10.94 +/- 1.81   1.671% *  0.0360% (0.34   1.0   0.02   0.02) =   0.001%
          HA    GLU- 100 - HG3   PRO   58  26.24 +/- 4.57   0.245% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.58 +/- 2.26   0.125% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  26.03 +/- 3.65   0.156% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 147.2:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  92.534% * 99.2991% (0.76  10.0   4.50 147.17) =  99.992%  kept
          HA    THR   46 - HG3   PRO   58  14.94 +/- 2.69   2.327% *  0.1254% (0.97   1.0   0.02   0.02) =   0.003%
          HA    GLN   17 - HG3   PRO   58  17.61 +/- 3.05   1.471% *  0.1199% (0.92   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HG3   PRO   58  21.77 +/- 3.64   1.042% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HG3   PRO   58  21.26 +/- 3.24   0.820% *  0.0788% (0.61   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HG3   PRO   58  18.18 +/- 1.99   1.049% *  0.0488% (0.38   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HG3   PRO   58  25.80 +/- 3.58   0.443% *  0.1040% (0.80   1.0   0.02   0.02) =   0.001%
          HA    SER   37 - HG3   PRO   58  27.78 +/- 3.34   0.314% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.535, support = 5.59, residual support = 24.9:
          HN    ALA   57 - HD2   PRO   58   2.55 +/- 1.08  75.635% * 98.5908% (0.54   5.60  24.90) =  99.865%  kept
          HE21  GLN  116 - HD2   PRO   58   8.37 +/- 2.52  19.575% *  0.4024% (0.61   0.02   0.02) =   0.105%  kept
          HN    ALA  120 - HD2   PRO   58  10.95 +/- 2.26   3.094% *  0.6003% (0.91   0.02   0.02) =   0.025%
          HN    ALA  124 - HD2   PRO   58  16.03 +/- 3.35   0.889% *  0.2335% (0.36   0.02   0.02) =   0.003%
          HE21  GLN   17 - HD2   PRO   58  19.19 +/- 3.92   0.808% *  0.1730% (0.26   0.02   0.02) =   0.002%
    Distance limit 3.54 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.1:
      O   HA    PRO   58 - HD3   PRO   58   3.87 +/- 0.09  67.866% * 99.2639% (0.72  10.0   6.52 147.17) =  99.987%  kept
          HA    THR   46 - HD3   PRO   58  13.28 +/- 2.94   2.962% *  0.1254% (0.91   1.0   0.02   0.02) =   0.006%
          HA    GLN   17 - HD3   PRO   58  17.24 +/- 2.94   1.128% *  0.1199% (0.87   1.0   0.02   0.02) =   0.002%
          HA    GLU-  15 - HD3   PRO   58  21.39 +/- 3.38   0.707% *  0.1040% (0.76   1.0   0.02   0.02) =   0.001%
          HA    LEU   40 - HD3   PRO   58  20.37 +/- 3.09   0.640% *  0.0788% (0.57   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68   9.51 +/- 3.51   8.251% *  0.0053% (0.04   1.0   0.02   0.02) =   0.001%
          HA    VAL   42 - HD3   PRO   58  17.04 +/- 1.73   0.886% *  0.0487% (0.36   1.0   0.02   0.02) =   0.001%
          HA    SER   13 - HD3   PRO   58  25.63 +/- 3.14   0.300% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  27.16 +/- 3.33   0.249% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  13.21 +/- 2.51   3.711% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.08 +/- 1.63   3.716% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.89 +/- 2.90   1.974% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  13.30 +/- 1.70   1.874% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.41 +/- 1.62   3.357% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  17.39 +/- 3.47   1.265% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  17.63 +/- 2.86   1.114% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 3.93, residual support = 24.9:
          HN    ALA   57 - HD3   PRO   58   2.84 +/- 0.98  66.644% * 97.9015% (0.54   3.94  24.90) =  99.854%  kept
          HE21  GLN  116 - HD3   PRO   58   8.46 +/- 3.04   9.748% *  0.5678% (0.61   0.02   0.02) =   0.085%
          HN    ALA  120 - HD3   PRO   58  10.89 +/- 1.70   3.265% *  0.8471% (0.91   0.02   0.02) =   0.042%
          HN    ALA  124 - HD3   PRO   58  15.79 +/- 3.42   1.698% *  0.3294% (0.36   0.02   0.02) =   0.009%
          HE21  GLN   17 - HD3   PRO   58  19.28 +/- 4.08   1.138% *  0.2441% (0.26   0.02   0.02) =   0.004%
          HN    ALA  120 - HD2   PRO   68  14.23 +/- 5.05   4.288% *  0.0375% (0.04   0.02   0.02) =   0.002%
          HN    ALA  124 - HD2   PRO   68  15.53 +/- 7.16   7.413% *  0.0146% (0.02   0.02   0.02) =   0.002%
          HE21  GLN  116 - HD2   PRO   68  15.97 +/- 4.38   2.385% *  0.0251% (0.03   0.02   0.02) =   0.001%
          HE21  GLN   17 - HD2   PRO   68  12.73 +/- 3.54   2.445% *  0.0108% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  15.17 +/- 2.65   0.975% *  0.0220% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.9:
          QB    ALA   57 - HD3   PRO   58   2.61 +/- 0.82  75.982% * 96.7335% (0.87   3.30  24.90) =  99.960%  kept
          QD    LYS+  65 - HD3   PRO   58  11.41 +/- 1.99   2.146% *  0.3093% (0.46   0.02   0.02) =   0.009%
          HD2   LYS+  74 - HD3   PRO   58  15.04 +/- 3.43   0.933% *  0.6298% (0.94   0.02   0.02) =   0.008%
          HD3   LYS+ 111 - HD3   PRO   58  15.64 +/- 2.71   0.969% *  0.5698% (0.85   0.02   0.02) =   0.008%
          HB3   LEU  123 - HD3   PRO   58  13.92 +/- 2.79   0.825% *  0.4110% (0.61   0.02   0.02) =   0.005%
          HB2   LYS+ 121 - HD3   PRO   58  12.75 +/- 2.89   0.872% *  0.3343% (0.50   0.02   0.02) =   0.004%
          QD    LYS+  33 - HD3   PRO   58  22.69 +/- 2.03   0.231% *  0.4110% (0.61   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD2   PRO   68   8.54 +/- 1.70   4.802% *  0.0137% (0.02   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HD2   PRO   68  13.13 +/- 3.23   2.306% *  0.0279% (0.04   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   68  15.25 +/- 6.66   3.423% *  0.0182% (0.03   0.02   0.02) =   0.001%
          HB    VAL   83 - HD3   PRO   58  22.68 +/- 2.32   0.230% *  0.2612% (0.39   0.02   0.02) =   0.001%
          QD    LYS+  38 - HD3   PRO   58  23.86 +/- 3.91   0.187% *  0.1767% (0.26   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  13.43 +/- 2.29   1.175% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  14.17 +/- 4.34   2.014% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.39 +/- 2.79   2.492% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.82 +/- 2.92   0.913% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  22.48 +/- 4.45   0.229% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  20.50 +/- 1.79   0.269% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.06, residual support = 24.9:
        T QB    ALA   57 - HD2   PRO   58   2.48 +/- 0.46  92.942% * 97.4262% (0.87 10.00   5.07  24.90) =  99.975%  kept
        T HD2   LYS+  74 - HD2   PRO   58  14.78 +/- 3.15   1.053% *  1.0461% (0.94 10.00   0.02   0.02) =   0.012%
        T QD    LYS+  65 - HD2   PRO   58  11.10 +/- 1.68   1.538% *  0.5137% (0.46 10.00   0.02   0.02) =   0.009%
          HB2   LYS+ 121 - HD2   PRO   58  12.95 +/- 3.24   2.252% *  0.0555% (0.50  1.00   0.02   0.02) =   0.001%
        T HB    VAL   83 - HD2   PRO   58  22.49 +/- 2.07   0.174% *  0.4339% (0.39 10.00   0.02   0.02) =   0.001%
          HB3   LEU  123 - HD2   PRO   58  14.08 +/- 2.88   1.087% *  0.0683% (0.61  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   PRO   58  15.51 +/- 2.25   0.578% *  0.0947% (0.85  1.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HD2   PRO   58  24.02 +/- 3.66   0.185% *  0.2934% (0.26 10.00   0.02   0.02) =   0.001%
          QD    LYS+  33 - HD2   PRO   58  22.67 +/- 1.98   0.192% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.7, residual support = 147.2:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  97.993% * 99.6708% (0.89  10.0 10.00   7.70 147.17) =  99.999%  kept
          HB2   CYS   53 - HD3   PRO   58   9.39 +/- 1.84   1.043% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  15.34 +/- 2.63   0.205% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.34 +/- 4.01   0.055% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  24.20 +/- 2.27   0.040% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  25.27 +/- 3.55   0.043% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  16.71 +/- 2.19   0.136% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.96 +/- 2.65   0.273% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  18.28 +/- 3.84   0.158% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  21.96 +/- 1.64   0.053% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.7, residual support = 147.2:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  98.821% * 99.5891% (0.95  10.0 10.00   7.70 147.17) =  99.999%  kept
        T HD2   PRO   68 - HD2   PRO   58  15.34 +/- 2.63   0.207% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   61 - HD2   PRO   58   8.76 +/- 0.58   0.834% *  0.0446% (0.42   1.0  1.00   0.02   0.88) =   0.000%
          HA    VAL   75 - HD2   PRO   58  17.03 +/- 2.23   0.139% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.683, support = 6.6, residual support = 39.4:
          HN    PHE   59 - HD2   PRO   58   2.93 +/- 0.66  90.752% * 86.2552% (0.69   6.65  39.45) =  98.862%  kept
          QE    PHE   59 - HD2   PRO   58   7.64 +/- 1.42   6.836% * 13.0566% (0.32   2.14  39.45) =   1.127%  kept
          HN    HIS  122 - HD2   PRO   58  12.33 +/- 3.31   2.136% *  0.3502% (0.93   0.02   0.02) =   0.009%
          HH2   TRP   87 - HD2   PRO   58  22.20 +/- 2.93   0.276% *  0.3380% (0.89   0.02   0.02) =   0.001%
    Distance limit 3.95 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   2.90 +/- 0.91  98.691% * 99.6917% (0.53 10.00   3.00  20.27) =  99.998%  kept
          HB    ILE   89 - HB3   PHE   59  17.48 +/- 2.39   0.684% *  0.1857% (0.98  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PHE   59  17.81 +/- 3.32   0.624% *  0.1226% (0.65  1.00   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.547, support = 0.583, residual support = 4.78:
          HB3   ASP-  62 - HB3   PHE   59   5.18 +/- 1.01  47.519% * 56.7883% (0.45   0.75   6.31) =  69.971%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.12 +/- 1.70  39.930% * 27.3084% (0.80   0.20   1.29) =  28.274%  kept
          HB    VAL  107 - HB3   PHE   59   9.74 +/- 1.86   7.745% *  7.0089% (0.38   0.11   0.02) =   1.408%  kept
          HB3   PHE   45 - HB3   PHE   59  12.66 +/- 2.41   3.662% *  2.7047% (0.80   0.02   0.02) =   0.257%  kept
          HB3   ASP-  86 - HB3   PHE   59  21.73 +/- 2.19   0.607% *  2.9300% (0.87   0.02   0.02) =   0.046%
          HG2   GLU-  29 - HB3   PHE   59  25.22 +/- 2.61   0.536% *  3.2598% (0.97   0.02   0.02) =   0.045%
    Distance limit 3.97 A violated in 0 structures by 0.47 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   3.16 +/- 0.98  94.839% * 99.0024% (0.18 10.00   2.48  20.27) =  99.989%  kept
          HB    ILE   89 - HB2   PHE   59  17.76 +/- 2.23   1.048% *  0.3657% (0.65  1.00   0.02   0.02) =   0.004%
          HB    VAL   43 - HB2   PHE   59  14.49 +/- 1.69   1.812% *  0.1928% (0.34  1.00   0.02   0.02) =   0.004%
          HB3   LYS+  99 - HB2   PHE   59  18.09 +/- 3.48   1.028% *  0.1410% (0.25  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HB2   PHE   59  18.78 +/- 3.29   0.814% *  0.1410% (0.25  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HB2   PHE   59  21.99 +/- 2.11   0.459% *  0.1572% (0.28  1.00   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.97, residual support = 58.4:
      O   HN    PHE   59 - HB3   PHE   59   2.60 +/- 0.45  97.260% * 99.4232% (0.31  10.0   4.97  58.37) =  99.992%  kept
          HN    HIS  122 - HB3   PHE   59   9.88 +/- 0.90   2.349% *  0.2794% (0.87   1.0   0.02   0.02) =   0.007%
          HH2   TRP   87 - HB3   PHE   59  18.92 +/- 2.31   0.391% *  0.2974% (0.92   1.0   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 4.32, residual support = 58.4:
      O   HN    PHE   59 - HB2   PHE   59   2.38 +/- 0.45  81.206% * 93.3092% (1.00  10.0   4.35  58.37) =  98.688%  kept
          QE    PHE   59 - HB2   PHE   59   4.49 +/- 0.05  15.338% *  6.5563% (0.80   1.0   1.75  58.37) =   1.310%  kept
          HN    HIS  122 - HB2   PHE   59   9.72 +/- 1.15   1.653% *  0.0566% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   PHE   59  10.08 +/- 1.06   1.585% *  0.0288% (0.31   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   PHE   59  19.30 +/- 2.14   0.217% *  0.0491% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 1.5, residual support = 6.3:
          HB2   ASP-  62 - HA    PHE   59   3.64 +/- 0.62  93.049% * 97.0773% (0.99  1.00   1.50   6.31) =  99.865%  kept
        T QB    ASP- 113 - HA    PHE   59  10.53 +/- 1.40   4.732% *  2.2871% (0.18 10.00   0.02   0.02) =   0.120%  kept
          HB2   PRO   52 - HA    PHE   59  13.77 +/- 1.64   2.220% *  0.6357% (0.49  1.00   0.02   0.02) =   0.016%
    Distance limit 3.63 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.177, support = 2.93, residual support = 6.26:
          HB3   ASP-  62 - HA    PHE   59   3.45 +/- 1.14  70.835% * 85.4423% (0.18  1.00   2.96   6.31) =  99.128%  kept
          HG3   GLN  116 - HA    PHE   59   7.04 +/- 2.53  19.909% *  1.1256% (0.34  1.00   0.02   0.66) =   0.367%  kept
        T HB3   TRP   87 - HA    PHE   59  18.52 +/- 3.47   1.952% *  9.1744% (0.28 10.00   0.02   0.02) =   0.293%  kept
          HG3   MET   96 - HA    PHE   59  15.06 +/- 3.29   7.008% *  1.7360% (0.53  1.00   0.02   0.02) =   0.199%  kept
          HG2   GLU-  36 - HA    PHE   59  26.68 +/- 2.14   0.296% *  2.5217% (0.76  1.00   0.02   0.02) =   0.012%
    Distance limit 3.87 A violated in 2 structures by 0.28 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 4.91, residual support = 58.4:
      O   HN    PHE   59 - HA    PHE   59   2.78 +/- 0.07  75.737% * 92.5461% (1.00  10.0   4.97  58.37) =  98.188%  kept
          QE    PHE   59 - HA    PHE   59   4.63 +/- 0.35  17.638% *  7.3206% (0.80   1.0   1.98  58.37) =   1.809%  kept
          HN    HIS  122 - HA    PHE   59   9.45 +/- 0.99   2.174% *  0.0561% (0.61   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    PHE   59   8.25 +/- 1.68   4.129% *  0.0286% (0.31   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HA    PHE   59  19.07 +/- 2.80   0.321% *  0.0487% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.02, residual support = 20.0:
          HN    PHE   60 - HB3   PHE   59   3.20 +/- 0.63  68.933% * 98.7621% (0.61   4.03  20.02) =  99.905%  kept
          HN    THR  118 - HB3   PHE   59   7.20 +/- 1.17  11.269% *  0.3035% (0.38   0.02  12.62) =   0.050%
          HN    GLN  116 - HB3   PHE   59   5.89 +/- 1.30  19.464% *  0.1416% (0.18   0.02   0.66) =   0.040%
          HN    GLU-  15 - HB3   PHE   59  21.04 +/- 2.47   0.334% *  0.7928% (0.98   0.02   0.02) =   0.004%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.978, support = 3.88, residual support = 71.0:
          QD    PHE   60 - HA    PHE   60   2.88 +/- 0.47  72.186% * 91.3114% (1.00   3.95  72.44) =  97.308%  kept
          QE    PHE   59 - HA    PHE   60   5.58 +/- 1.75  22.629% *  7.9818% (0.25   1.38  20.02) =   2.666%  kept
          HN    LYS+  66 - HA    PHE   60   7.61 +/- 0.59   4.883% *  0.3361% (0.73   0.02   0.02) =   0.024%
          HN    LYS+  81 - HA    PHE   60  19.12 +/- 2.53   0.302% *  0.3706% (0.80   0.02   0.02) =   0.002%
    Distance limit 3.18 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.91, residual support = 72.4:
      O   HN    PHE   60 - HA    PHE   60   2.77 +/- 0.09  93.366% * 99.7483% (0.61  10.0   4.92  72.44) =  99.996%  kept
          HN    THR  118 - HA    PHE   60   9.93 +/- 1.70   2.947% *  0.0617% (0.38   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HA    PHE   60   9.20 +/- 1.45   3.178% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HA    PHE   60  18.10 +/- 2.53   0.509% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.0, residual support = 41.5:
      O   HN    ALA   61 - HA    PHE   60   3.62 +/- 0.03  93.613% * 99.5823% (0.84  10.0   5.00  41.47) =  99.995%  kept
          HN    TRP   27 - HA    PHE   60  17.06 +/- 2.81   1.248% *  0.1182% (0.99   1.0   0.02   0.02) =   0.002%
          HN    ALA   91 - HA    PHE   60  16.78 +/- 2.67   1.179% *  0.1069% (0.90   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HA    PHE   60  16.87 +/- 2.68   1.215% *  0.0627% (0.53   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    PHE   60  16.32 +/- 2.20   1.242% *  0.0535% (0.45   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HA    PHE   60  17.87 +/- 2.61   0.998% *  0.0580% (0.49   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    PHE   60  21.60 +/- 2.45   0.505% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.735, support = 0.645, residual support = 1.28:
          HA    ASP-  44 - HB2   PHE   60   8.45 +/- 2.27  21.900% * 70.9803% (1.00   0.61   1.80) =  67.855%  kept
          HA    ALA   57 - HB2   PHE   60   4.60 +/- 1.40  52.069% * 13.4094% (0.15   0.75   0.21) =  30.479%  kept
          HB    THR   77 - HB2   PHE   60  14.73 +/- 3.69   3.859% *  2.2716% (0.98   0.02   0.02) =   0.383%  kept
          HA    THR   39 - HB2   PHE   60  17.25 +/- 3.67   4.861% *  1.1281% (0.49   0.02   0.02) =   0.239%  kept
          HA    ILE  103 - HB2   PHE   60  16.71 +/- 2.89   2.250% *  2.1394% (0.92   0.02   0.02) =   0.210%  kept
          HA    MET   11 - HB2   PHE   60  25.65 +/- 4.31   1.852% *  2.3175% (1.00   0.02   0.02) =   0.187%  kept
          HA1   GLY   51 - HB2   PHE   60  12.94 +/- 1.65   4.440% *  0.8698% (0.38   0.02   0.02) =   0.169%  kept
          HA    GLU-  79 - HB2   PHE   60  17.83 +/- 4.33   2.333% *  1.3121% (0.57   0.02   0.02) =   0.134%  kept
          HA    GLU-  14 - HB2   PHE   60  19.78 +/- 2.97   3.167% *  0.9528% (0.41   0.02   0.02) =   0.132%  kept
          HA    SER   85 - HB2   PHE   60  20.90 +/- 2.45   0.929% *  2.2716% (0.98   0.02   0.02) =   0.092%
          HA    ALA   12 - HB2   PHE   60  24.08 +/- 3.57   1.447% *  1.2193% (0.53   0.02   0.02) =   0.077%
          HA    ASP-  86 - HB2   PHE   60  21.30 +/- 2.49   0.894% *  1.1281% (0.49   0.02   0.02) =   0.044%
    Distance limit 3.94 A violated in 5 structures by 0.74 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.4:
      O   QD    PHE   60 - HB2   PHE   60   2.47 +/- 0.20  93.923% * 99.7759% (0.76  10.0   3.76  72.44) =  99.998%  kept
          HN    LYS+  66 - HB2   PHE   60   9.24 +/- 0.81   2.034% *  0.0363% (0.28   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   PHE   60   8.89 +/- 1.42   2.799% *  0.0258% (0.20   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   PHE   60  18.80 +/- 3.23   0.300% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  13.43 +/- 2.77   0.944% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.87, residual support = 41.4:
          HN    ALA   61 - HB2   PHE   60   3.22 +/- 0.49  93.643% * 95.7177% (0.38   4.87  41.47) =  99.955%  kept
          HN    THR   39 - HB2   PHE   60  18.79 +/- 3.51   1.135% *  0.9664% (0.92   0.02   0.02) =   0.012%
          HD1   TRP   87 - HB2   PHE   60  16.43 +/- 2.46   1.018% *  0.9389% (0.90   0.02   0.02) =   0.011%
          HN    TRP   27 - HB2   PHE   60  17.07 +/- 3.17   1.032% *  0.8383% (0.80   0.02   0.02) =   0.010%
          HN    ALA   91 - HB2   PHE   60  16.59 +/- 2.94   1.008% *  0.4694% (0.45   0.02   0.02) =   0.005%
          HN    LYS+ 102 - HB2   PHE   60  20.17 +/- 3.38   0.743% *  0.3571% (0.34   0.02   0.02) =   0.003%
          HN    GLU-  36 - HB2   PHE   60  22.28 +/- 3.16   0.462% *  0.5508% (0.53   0.02   0.02) =   0.003%
          HE3   TRP   87 - HB2   PHE   60  17.17 +/- 3.13   0.959% *  0.1615% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 72.4:
      O   HN    PHE   60 - HB2   PHE   60   2.65 +/- 0.62  94.133% * 99.7483% (0.61  10.0   4.78  72.44) =  99.996%  kept
          HN    THR  118 - HB2   PHE   60  11.11 +/- 1.64   2.188% *  0.0617% (0.38   1.0   0.02   0.02) =   0.001%
          HN    GLU-  15 - HB2   PHE   60  18.69 +/- 2.92   0.736% *  0.1612% (0.98   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB2   PHE   60  10.05 +/- 1.81   2.943% *  0.0288% (0.18   1.0   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.987, support = 3.09, residual support = 10.1:
        T QD1   LEU   63 - HA    PHE   60   3.41 +/- 0.95  47.158% * 91.2485% (1.00 10.00   3.15  10.22) =  96.332%  kept
          QD2   LEU   63 - HA    PHE   60   4.67 +/- 1.15  23.872% *  5.1638% (0.57  1.00   2.00  10.22) =   2.760%  kept
          QD2   LEU  115 - HA    PHE   60   5.79 +/- 1.08  14.462% *  2.0695% (0.84  1.00   0.54   0.02) =   0.670%  kept
        T QD1   LEU   73 - HA    PHE   60  10.56 +/- 2.61  10.394% *  0.9125% (1.00 10.00   0.02   1.29) =   0.212%  kept
        T QD1   LEU  104 - HA    PHE   60  13.17 +/- 2.77   2.106% *  0.5166% (0.57 10.00   0.02   0.02) =   0.024%
          QD2   LEU   80 - HA    PHE   60  13.76 +/- 1.98   1.006% *  0.0731% (0.80  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    PHE   60  14.25 +/- 2.12   1.001% *  0.0160% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 10.2:
        T HB2   LEU   63 - HA    PHE   60   3.05 +/- 0.78  55.933% * 98.0706% (0.92 10.00   1.50  10.22) =  99.832%  kept
          HB2   LYS+ 112 - HA    PHE   60   9.78 +/- 2.44   6.658% *  0.7870% (0.22  1.00   0.50   0.32) =   0.095%
          HB3   ASP-  44 - HA    PHE   60   6.75 +/- 2.82  18.062% *  0.1388% (0.98  1.00   0.02   1.80) =   0.046%
          HB3   PRO   93 - HA    PHE   60   9.91 +/- 3.52   6.359% *  0.1229% (0.87  1.00   0.02   0.02) =   0.014%
          HB3   LEU   73 - HA    PHE   60  11.72 +/- 2.71   6.962% *  0.0219% (0.15  1.00   0.02   1.29) =   0.003%
          QB    ALA  124 - HA    PHE   60  15.16 +/- 1.34   0.704% *  0.1413% (1.00  1.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    PHE   60  15.45 +/- 2.18   0.695% *  0.1367% (0.97  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    PHE   60  15.06 +/- 2.34   0.915% *  0.0859% (0.61  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    PHE   60  15.02 +/- 1.91   0.596% *  0.1270% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    PHE   60  16.28 +/- 2.29   0.579% *  0.1183% (0.84  1.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    PHE   60  18.07 +/- 2.34   0.498% *  0.0973% (0.69  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    PHE   60  17.65 +/- 2.82   0.759% *  0.0483% (0.34  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HA    PHE   60  14.53 +/- 1.81   0.710% *  0.0437% (0.31  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    PHE   60  21.20 +/- 3.14   0.343% *  0.0353% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.98 +/- 2.19   0.227% *  0.0248% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.381, support = 0.908, residual support = 1.85:
        T QG2   VAL   18 - HA    ALA   61   5.71 +/- 2.91  31.019% * 66.7166% (0.34 10.00   0.93   1.97) =  84.298%  kept
          QD1   ILE   56 - HA    ALA   61   7.80 +/- 1.38  14.514% * 15.2102% (0.61  1.00   1.19   2.14) =   8.992%  kept
          QG2   THR   46 - HA    ALA   61   7.68 +/- 2.96  24.529% *  2.6202% (0.25  1.00   0.50   0.02) =   2.618%  kept
        T QG1   VAL   41 - HA    ALA   61  12.28 +/- 2.09   4.540% * 12.2448% (0.76 10.00   0.08   0.02) =   2.264%  kept
          QD2   LEU   73 - HA    ALA   61   7.94 +/- 1.82  16.584% *  2.5641% (0.87  1.00   0.14   0.02) =   1.732%  kept
          QG1   VAL   43 - HA    ALA   61  10.75 +/- 2.18   7.371% *  0.2382% (0.57  1.00   0.02   0.02) =   0.072%
          HG    LEU   31 - HA    ALA   61  15.27 +/- 2.11   1.443% *  0.4060% (0.97  1.00   0.02   0.02) =   0.024%
    Distance limit 2.98 A violated in 9 structures by 1.30 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 6.25:
        T QB    ALA   64 - HA    ALA   61   3.27 +/- 0.81  85.658% * 98.7496% (0.34 10.00   2.31   6.25) =  99.893%  kept
        T QG1   VAL   75 - HA    ALA   61   9.11 +/- 1.71   7.253% *  1.0865% (0.38 10.00   0.02   0.02) =   0.093%
          QD1   LEU  115 - HA    ALA   61   8.57 +/- 1.43   7.089% *  0.1639% (0.57  1.00   0.02   0.02) =   0.014%
    Distance limit 3.37 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.25:
          HN    ALA   64 - HA    ALA   61   3.65 +/- 0.30 100.000% *100.0000% (0.84   0.75   6.25) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.75, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.80 +/- 0.06  96.194% * 98.9218% (0.38  10.0   2.75  17.90) =  99.994%  kept
          HN    TRP   27 - HA    ALA   61  15.32 +/- 2.11   0.783% *  0.2111% (0.80   1.0   0.02   0.02) =   0.002%
          HN    THR   39 - HA    ALA   61  17.10 +/- 2.81   0.619% *  0.2433% (0.92   1.0   0.02   0.02) =   0.002%
          HD1   TRP   87 - HA    ALA   61  17.23 +/- 3.07   0.534% *  0.2364% (0.90   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    ALA   61  20.24 +/- 4.00   0.561% *  0.0899% (0.34   1.0   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    ALA   61  18.54 +/- 3.07   0.419% *  0.1182% (0.45   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    ALA   61  20.52 +/- 2.70   0.307% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  18.24 +/- 4.23   0.583% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 3.76, residual support = 71.6:
      O   QD    PHE   60 - HB3   PHE   60   2.47 +/- 0.16  79.255% * 87.7262% (0.73  10.0   3.77  72.44) =  98.339%  kept
          HN    PHE   59 - HB3   PHE   60   5.04 +/- 0.71  11.259% *  6.8719% (0.28   1.0   4.09  20.02) =   1.094%  kept
          QE    PHE   59 - HB3   PHE   60   6.83 +/- 1.60   7.616% *  5.2360% (0.65   1.0   1.34  20.02) =   0.564%  kept
          HN    LYS+  66 - HB3   PHE   60   9.15 +/- 0.65   1.640% *  0.1205% (1.00   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB3   PHE   60  18.94 +/- 2.88   0.230% *  0.0453% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.92, residual support = 72.4:
      O   HN    PHE   60 - HB3   PHE   60   2.50 +/- 0.56  99.650% * 99.5797% (0.20  10.0   4.92  72.44) =  99.999%  kept
          HN    GLU-  15 - HB3   PHE   60  18.69 +/- 2.71   0.350% *  0.4203% (0.84   1.0   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  16.52 +/- 2.27  28.526% * 23.9067% (0.95   0.02   0.02) =  35.163%  kept
          HN    THR   39 - HB3   PHE   60  18.84 +/- 3.51  19.449% * 23.3294% (0.92   0.02   0.02) =  23.395%  kept
          HN    LYS+ 102 - HB3   PHE   60  20.15 +/- 3.48  17.322% * 20.2366% (0.80   0.02   0.02) =  18.074%  kept
          HN    GLU-  36 - HB3   PHE   60  22.38 +/- 3.10  10.079% * 23.9067% (0.95   0.02   0.02) =  12.424%  kept
          HN    TRP   27 - HB3   PHE   60  17.28 +/- 2.72  24.625% *  8.6206% (0.34   0.02   0.02) =  10.945%  kept
    Distance limit 3.68 A violated in 20 structures by 9.44 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.33, support = 2.3, residual support = 5.5:
          HA    LYS+  81 - QB    ALA   84   2.32 +/- 0.27  96.498% * 58.7116% (0.33  1.00   2.31   5.52) =  99.607%  kept
        T HA    ASN   28 - QB    ALA   84  12.49 +/- 3.68   1.167% * 13.7790% (0.89 10.00   0.02   0.02) =   0.283%  kept
        T HA    ALA   34 - QB    ALA   84  18.21 +/- 2.52   0.337% * 11.4074% (0.74 10.00   0.02   0.02) =   0.068%
        T HA    ALA  124 - QB    ALA   84  26.02 +/- 2.41   0.079% * 11.4074% (0.74 10.00   0.02   0.02) =   0.016%
          HA    LEU  115 - QB    ALA   84  15.72 +/- 1.56   0.360% *  1.3387% (0.87  1.00   0.02   0.02) =   0.008%
          HA    ARG+  54 - QB    ALA   84  16.62 +/- 2.60   0.331% *  1.2948% (0.84  1.00   0.02   0.02) =   0.008%
          HA1   GLY  101 - QB    ALA   84  17.35 +/- 2.43   0.329% *  0.8451% (0.55  1.00   0.02   0.02) =   0.005%
          HA    GLU- 114 - QB    ALA   84  17.97 +/- 1.46   0.253% *  0.6137% (0.40  1.00   0.02   0.02) =   0.003%
          HA    THR   26 - QB    ALA   84  15.33 +/- 3.67   0.463% *  0.2303% (0.15  1.00   0.02   0.02) =   0.002%
          HA    GLU-  36 - QB    ALA   84  22.16 +/- 2.69   0.183% *  0.3722% (0.24  1.00   0.02   0.02) =   0.001%
    Distance limit 3.32 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 = 0.271, support = 1.69, residual support = 13.0:
          HA    SER   85 - QB    ALA   84   3.80 +/- 0.04  46.824% * 15.2010% (0.15  1.00   2.33  20.67) =  62.660%  kept
        T HA    ASP-  44 - QB    ALA   84   9.50 +/- 1.60   3.695% * 60.9668% (0.19 10.00   0.73   0.02) =  19.831%  kept
          HA    ASP-  86 - QB    ALA   84   6.54 +/- 0.06   9.208% * 20.2399% (0.84  1.00   0.55   0.02) =  16.406%  kept
          HA    TRP   87 - QB    ALA   84   6.94 +/- 0.17   7.694% *  0.9689% (0.27  1.00   0.08   0.02) =   0.656%  kept
          HB    THR   77 - QB    ALA   84   5.16 +/- 1.83  31.049% *  0.1306% (0.15  1.00   0.02   0.02) =   0.357%  kept
          HA    LEU  104 - QB    ALA   84  16.38 +/- 2.56   0.668% *  0.8166% (0.93  1.00   0.02   0.02) =   0.048%
          HA    GLU-  14 - QB    ALA   84  23.07 +/- 3.74   0.283% *  0.7811% (0.89  1.00   0.02   0.02) =   0.019%
          HA    ALA   12 - QB    ALA   84  25.57 +/- 5.22   0.279% *  0.7067% (0.81  1.00   0.02   0.02) =   0.017%
          HA    MET   11 - QB    ALA   84  26.34 +/- 6.34   0.300% *  0.1884% (0.21  1.00   0.02   0.02) =   0.005%
    Distance limit 3.32 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.19, residual support = 18.0:
      O   HN    ALA   84 - QB    ALA   84   2.02 +/- 0.06  96.212% * 98.8488% (0.30  10.0   4.19  17.96) =  99.991%  kept
          HZ2   TRP   87 - QB    ALA   84   8.33 +/- 1.00   1.563% *  0.2326% (0.70   1.0   0.02   0.02) =   0.004%
          HD21  ASN   28 - QB    ALA   84  10.56 +/- 3.90   1.037% *  0.2872% (0.87   1.0   0.02   0.02) =   0.003%
          HN    LEU   63 - QB    ALA   84  16.47 +/- 2.02   0.201% *  0.2564% (0.77   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - QB    ALA   84  16.98 +/- 2.27   0.195% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.79 +/- 2.49   0.539% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  15.70 +/- 2.60   0.253% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.766, support = 3.94, residual support = 20.4:
          HN    SER   85 - QB    ALA   84   2.72 +/- 0.07  86.180% * 90.4686% (0.77   3.98  20.67) =  98.660%  kept
          HN    LEU   80 - QB    ALA   84   5.54 +/- 0.69  12.193% *  8.6432% (0.30   0.99   0.02) =   1.334%  kept
          HN    GLN   32 - QB    ALA   84  15.74 +/- 3.45   0.585% *  0.5674% (0.97   0.02   0.02) =   0.004%
          HN    ALA   34 - QB    ALA   84  17.18 +/- 2.75   0.420% *  0.2333% (0.40   0.02   0.02) =   0.001%
          HN    CYS   53 - QB    ALA   84  15.10 +/- 2.29   0.622% *  0.0875% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.928, support = 1.15, residual support = 28.5:
          HN    LEU  123 - QB    ALA  120   3.88 +/- 0.09  80.836% * 88.2048% (0.94   1.17  29.28) =  97.321%  kept
          HN    ALA  124 - QB    ALA  120   6.40 +/- 0.23  18.262% * 10.6922% (0.57   0.23   0.02) =   2.665%  kept
          HE21  GLN   17 - QB    ALA  120  19.86 +/- 3.90   0.902% *  1.1030% (0.69   0.02   0.02) =   0.014%
    Distance limit 2.83 A violated in 0 structures by 1.02 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 1.93, residual support = 5.1:
        T HA    SER  117 - QB    ALA  120   3.41 +/- 0.50  93.886% * 99.0781% (0.54 10.00   1.93   5.10) =  99.991%  kept
          HA    ALA   57 - QB    ALA  120  12.37 +/- 1.14   2.187% *  0.1714% (0.89  1.00   0.02   0.02) =   0.004%
        T HB    THR   26 - QB    ALA  120  24.23 +/- 3.48   0.443% *  0.4034% (0.21 10.00   0.02   0.02) =   0.002%
          HA    THR   39 - QB    ALA  120  18.23 +/- 4.00   1.035% *  0.1026% (0.54  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - QB    ALA  120  18.36 +/- 2.50   0.762% *  0.1245% (0.65  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - QB    ALA  120  15.98 +/- 3.47   1.367% *  0.0317% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  24.07 +/- 2.25   0.320% *  0.0882% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.06 +/- 0.09  93.615% * 99.3531% (0.97  10.0   4.00  17.90) =  99.995%  kept
          HN    ALA   91 - QB    ALA  110  10.42 +/- 3.36   3.132% *  0.0755% (0.73   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - QB    ALA   61  13.85 +/- 2.00   0.440% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  16.17 +/- 4.39   0.514% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  15.87 +/- 3.08   0.329% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  14.26 +/- 2.00   0.393% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.73 +/- 2.34   0.377% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  15.31 +/- 3.25   0.383% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  15.80 +/- 2.65   0.310% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.74 +/- 2.45   0.346% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  22.08 +/- 2.61   0.093% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.64 +/- 1.92   0.068% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.58:
      O   HN    ALA  110 - QB    ALA  110   2.67 +/- 0.31  76.633% * 99.6796% (0.87  10.0   2.12   9.58) =  99.985%  kept
          HN    PHE   45 - QB    ALA   61   9.46 +/- 2.91  13.802% *  0.0550% (0.48   1.0   0.02   0.02) =   0.010%
          HN    PHE   45 - QB    ALA  110  11.05 +/- 2.16   1.825% *  0.0743% (0.65   1.0   0.02   0.02) =   0.002%
          HN    ASP-  44 - QB    ALA   61   8.95 +/- 2.33   5.556% *  0.0236% (0.21   1.0   0.02   0.25) =   0.002%
          HN    ALA  110 - QB    ALA   61  15.21 +/- 2.63   0.806% *  0.0738% (0.64   1.0   0.02   0.02) =   0.001%
          HN    ASP-  44 - QB    ALA  110  13.96 +/- 2.01   0.719% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  16.14 +/- 2.25   0.496% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  23.24 +/- 3.30   0.163% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 2.78, residual support = 8.19:
          HN    ASP-  62 - QB    ALA   61   2.69 +/- 0.23  89.115% * 84.4262% (1.00   2.79   8.23) =  99.523%  kept
          HN    PHE   55 - QB    ALA   61   9.51 +/- 1.27   2.526% *  9.8753% (0.45   0.73   0.02) =   0.330%  kept
          HN    ARG+  54 - QB    ALA   61   9.40 +/- 1.50   2.898% *  3.1901% (0.87   0.12   0.02) =   0.122%  kept
          HN    ARG+  54 - QB    ALA  110  12.78 +/- 2.60   1.284% *  0.3896% (0.64   0.02   0.02) =   0.007%
          HN    LEU   31 - QB    ALA   61  14.87 +/- 2.14   0.755% *  0.5949% (0.98   0.02   0.02) =   0.006%
          HN    PHE   55 - QB    ALA  110  12.23 +/- 3.20   1.849% *  0.2014% (0.33   0.02   0.02) =   0.005%
          HN    ASP-  62 - QB    ALA  110  14.56 +/- 2.01   0.725% *  0.4481% (0.74   0.02   0.02) =   0.004%
          HN    LYS+  38 - QB    ALA   61  17.69 +/- 2.77   0.555% *  0.2495% (0.41   0.02   0.02) =   0.002%
          HN    LEU   31 - QB    ALA  110  22.34 +/- 1.74   0.173% *  0.4402% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  38 - QB    ALA  110  25.30 +/- 1.94   0.119% *  0.1846% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.792, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  18.50 +/- 3.14  27.474% * 28.1529% (1.00   0.02   0.02) =  36.804%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.87 +/- 2.70  27.631% * 21.5631% (0.76   0.02   0.02) =  28.351%  kept
          HA    ALA   12 - HB2   ASP-  62  23.12 +/- 3.76  15.935% * 18.2527% (0.65   0.02   0.02) =  13.840%  kept
          HA    TRP   87 - HB2   ASP-  62  22.28 +/- 4.35  17.805% * 12.6499% (0.45   0.02   0.02) =  10.717%  kept
          HA    ASP-  86 - HB2   ASP-  62  24.84 +/- 3.54  11.156% * 19.3814% (0.69   0.02   0.02) =  10.288%  kept
    Distance limit 3.52 A violated in 20 structures by 11.20 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  24.71 +/- 2.94  11.819% * 70.6236% (0.67 10.00   0.02   0.02) =  55.144%  kept
          HA    LEU  104 - HB3   ASP-  62  18.71 +/- 2.54  26.962% * 10.2586% (0.98  1.00   0.02   0.02) =  18.273%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.95 +/- 2.58  27.169% *  7.8573% (0.75  1.00   0.02   0.02) =  14.104%  kept
          HA    ALA   12 - HB3   ASP-  62  23.23 +/- 3.50  15.638% *  6.6511% (0.63  1.00   0.02   0.02) =   6.871%  kept
          HA    TRP   87 - HB3   ASP-  62  22.15 +/- 3.74  18.413% *  4.6095% (0.44  1.00   0.02   0.02) =   5.607%  kept
    Distance limit 3.25 A violated in 20 structures by 11.73 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.11, residual support = 4.13:
          HN    LYS+  65 - HA    ASP-  62   3.63 +/- 0.34 100.000% *100.0000% (0.15   1.11   4.13) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.11 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   2.75 +/- 0.05  96.707% * 99.7294% (1.00  10.0   3.83  41.01) =  99.998%  kept
          HN    ARG+  54 - HA    ASP-  62  13.46 +/- 2.82   1.566% *  0.0867% (0.87   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ASP-  62  13.39 +/- 1.88   1.094% *  0.0448% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HA    ASP-  62  18.61 +/- 2.20   0.377% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  20.74 +/- 2.05   0.256% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 42.3:
          HN    LEU   63 - HB2   ASP-  62   3.42 +/- 0.50  90.695% * 96.8714% (0.97   5.24  42.39) =  99.852%  kept
          HN    ILE   56 - HB2   ASP-  62  10.40 +/- 1.66   5.572% *  2.2082% (0.90   0.13   0.02) =   0.140%  kept
          HN    LYS+ 111 - HB2   ASP-  62  15.78 +/- 2.83   1.641% *  0.2017% (0.53   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HB2   ASP-  62  19.60 +/- 2.75   0.811% *  0.1866% (0.49   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB2   ASP-  62  20.91 +/- 3.33   0.504% *  0.2633% (0.69   0.02   0.02) =   0.002%
          HN    ALA   84 - HB2   ASP-  62  21.65 +/- 2.95   0.561% *  0.2017% (0.53   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB2   ASP-  62  26.85 +/- 2.56   0.215% *  0.0671% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.86 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   2.80 +/- 0.55  97.560% * 99.6462% (0.69  10.0   3.83  41.01) =  99.997%  kept
          HN    ARG+  54 - HB2   ASP-  62  12.74 +/- 3.05   1.539% *  0.1400% (0.97   1.0   0.02   0.02) =   0.002%
          HN    LEU   31 - HB2   ASP-  62  19.76 +/- 2.68   0.577% *  0.0880% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LYS+  38 - HB2   ASP-  62  21.65 +/- 2.36   0.325% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.24, residual support = 42.4:
          HN    LEU   63 - HB3   ASP-  62   3.00 +/- 0.38  93.540% * 98.7118% (0.95   5.24  42.39) =  99.979%  kept
          HN    ILE   56 - HB3   ASP-  62   9.66 +/- 1.60   4.033% *  0.3503% (0.88   0.02   0.02) =   0.015%
          HN    LYS+ 111 - HB3   ASP-  62  15.50 +/- 2.28   1.100% *  0.2055% (0.52   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB3   ASP-  62  20.88 +/- 2.89   0.433% *  0.2683% (0.67   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB3   ASP-  62  19.47 +/- 2.28   0.425% *  0.1901% (0.48   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   ASP-  62  21.42 +/- 2.41   0.320% *  0.2055% (0.52   0.02   0.02) =   0.001%
          HE21  GLN   32 - HB3   ASP-  62  26.95 +/- 2.22   0.149% *  0.0684% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 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   2.48 +/- 0.40  92.733% * 99.7294% (0.98  10.0   3.83  41.01) =  99.994%  kept
          HN    ARG+  54 - HB3   ASP-  62  11.95 +/- 3.25   4.579% *  0.0867% (0.85   1.0   0.02   0.02) =   0.004%
          HN    PHE   55 - HB3   ASP-  62  11.59 +/- 2.26   2.307% *  0.0448% (0.44   1.0   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   ASP-  62  19.82 +/- 2.31   0.218% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  21.84 +/- 2.06   0.163% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.883, support = 2.55, residual support = 6.26:
          QB    LYS+  66 - HA    LEU   63   3.35 +/- 0.80  62.425% * 51.3892% (1.00   2.20   7.44) =  73.133%  kept
          QB    LYS+  65 - HA    LEU   63   5.02 +/- 0.65  25.387% * 46.2692% (0.57   3.51   3.06) =  26.778%  kept
          HG    LEU  123 - HA    LEU   63  11.46 +/- 3.42   3.429% *  0.2639% (0.57   0.02   0.02) =   0.021%
          HB    VAL   41 - HA    LEU   63  13.57 +/- 2.17   2.000% *  0.4410% (0.95   0.02   0.02) =   0.020%
          HB2   LEU   71 - HA    LEU   63  11.67 +/- 1.73   2.427% *  0.2453% (0.53   0.02   0.02) =   0.014%
          HG2   PRO   93 - HA    LEU   63  15.11 +/- 3.54   1.303% *  0.4181% (0.90   0.02   0.02) =   0.012%
          HG12  ILE  103 - HA    LEU   63  16.00 +/- 2.78   1.060% *  0.3894% (0.84   0.02   0.02) =   0.009%
          HB3   PRO   52 - HA    LEU   63  16.32 +/- 3.58   1.232% *  0.2639% (0.57   0.02   0.02) =   0.007%
          QB    LYS+ 102 - HA    LEU   63  18.08 +/- 2.33   0.737% *  0.3202% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.29 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.568, support = 2.36, residual support = 7.62:
          HN    LYS+  66 - HA    LEU   63   3.63 +/- 0.52  65.092% * 56.3225% (0.53   2.57   7.44) =  87.141%  kept
          QD    PHE   60 - HA    LEU   63   6.78 +/- 0.63  11.801% * 39.7210% (0.97   0.99  10.22) =  11.141%  kept
          QE    PHE   59 - HA    LEU   63   6.64 +/- 1.83  22.722% *  3.1676% (0.14   0.56   0.02) =   1.711%  kept
          HN    LYS+  81 - HA    LEU   63  21.11 +/- 1.64   0.386% *  0.7888% (0.95   0.02   0.02) =   0.007%
    Distance limit 3.70 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.53, residual support = 240.6:
      O   HN    LEU   63 - HA    LEU   63   2.79 +/- 0.06  94.476% * 99.6457% (1.00  10.0   7.53 240.61) =  99.996%  kept
          HN    ILE   56 - HA    LEU   63  11.91 +/- 2.39   2.696% *  0.0990% (0.99   1.0   0.02   0.02) =   0.003%
          HD21  ASN   28 - HA    LEU   63  18.93 +/- 3.31   1.245% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HA    LEU   63  16.49 +/- 2.73   0.711% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    LEU   63  20.17 +/- 2.00   0.270% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  17.48 +/- 2.06   0.434% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  24.28 +/- 2.32   0.167% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 10.2:
        T HA    PHE   60 - HB2   LEU   63   3.05 +/- 0.78  76.812% * 91.3696% (0.49 10.00   1.50  10.22) =  99.581%  kept
          HA    LYS+  65 - HB2   LEU   63   7.75 +/- 0.34   6.648% *  2.1061% (0.18  1.00   0.96   3.06) =   0.199%  kept
          QB    SER  117 - HB2   LEU   63  11.53 +/- 2.24   2.524% *  4.5762% (0.98  1.00   0.37   0.02) =   0.164%  kept
          HB    THR   94 - HB2   LEU   63  12.92 +/- 2.80   1.708% *  1.0411% (0.87  1.00   0.10   0.02) =   0.025%
          QB    SER   48 - HB2   LEU   63  14.53 +/- 3.42   3.748% *  0.1913% (0.76  1.00   0.02   0.02) =   0.010%
          HA2   GLY   51 - HB2   LEU   63  15.41 +/- 4.21   2.276% *  0.2415% (0.97  1.00   0.02   0.02) =   0.008%
          HA    LYS+ 121 - HB2   LEU   63  13.40 +/- 2.67   1.908% *  0.2310% (0.92  1.00   0.02   0.02) =   0.006%
          HA    ALA  120 - HB2   LEU   63  11.86 +/- 2.62   2.895% *  0.1317% (0.53  1.00   0.02   0.02) =   0.005%
          HA2   GLY   16 - HB2   LEU   63  14.69 +/- 2.02   1.148% *  0.0557% (0.22  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HB2   LEU   63  20.67 +/- 1.90   0.333% *  0.0557% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.59, residual support = 54.4:
          HN    ALA   64 - HB2   LEU   63   3.21 +/- 0.52 100.000% *100.0000% (0.57   7.59  54.44) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.99, support = 2.63, residual support = 16.1:
          QE    PHE   72 - HB2   LEU   63   5.37 +/- 1.40  76.347% * 99.3456% (0.99   2.63  16.13) =  99.896%  kept
          HN    ALA   47 - HB2   LEU   63  12.59 +/- 3.39  16.397% *  0.3414% (0.45   0.02   0.02) =   0.074%
          HD22  ASN   28 - HB2   LEU   63  17.48 +/- 3.12   7.256% *  0.3130% (0.41   0.02   0.02) =   0.030%
    Distance limit 4.07 A violated in 9 structures by 1.38 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 8.05, residual support = 240.6:
      O   HN    LEU   63 - HB2   LEU   63   2.16 +/- 0.19  96.696% * 99.6457% (1.00  10.0   8.05 240.61) =  99.997%  kept
          HN    ILE   56 - HB2   LEU   63  10.11 +/- 2.24   1.997% *  0.0990% (0.99   1.0   0.02   0.02) =   0.002%
          HD21  ASN   28 - HB2   LEU   63  18.11 +/- 3.27   0.505% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  15.42 +/- 2.20   0.320% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  18.90 +/- 2.20   0.154% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  16.45 +/- 2.04   0.238% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  23.93 +/- 2.31   0.090% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 4.54, residual support = 42.3:
          HN    ASP-  62 - HB2   LEU   63   4.58 +/- 0.26  71.454% * 98.5515% (0.76   4.55  42.39) =  99.858%  kept
          HN    PHE   55 - HB2   LEU   63  11.84 +/- 3.03   9.679% *  0.5086% (0.90   0.02   0.02) =   0.070%
          HN    ARG+  54 - HB2   LEU   63  12.15 +/- 3.67  15.209% *  0.2331% (0.41   0.02   0.02) =   0.050%
          HN    LEU   31 - HB2   LEU   63  16.89 +/- 2.63   2.739% *  0.4737% (0.84   0.02   0.02) =   0.018%
          HN    ALA   88 - HB2   LEU   63  20.33 +/- 2.48   0.919% *  0.2331% (0.41   0.02   0.02) =   0.003%
    Distance limit 4.26 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.69, residual support = 54.4:
          HN    ALA   64 - HB3   LEU   63   3.29 +/- 0.75 100.000% *100.0000% (0.57   6.69  54.44) = 100.000%  kept
    Distance limit 4.14 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.21, residual support = 16.1:
        T HZ    PHE   72 - HB3   LEU   63   4.95 +/- 2.57  81.270% * 99.9822% (0.87 10.00   3.21  16.13) =  99.996%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.18 +/- 3.77  18.730% *  0.0178% (0.15  1.00   0.02   0.02) =   0.004%
    Distance limit 4.01 A violated in 8 structures by 1.64 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.59, residual support = 240.6:
      O   HN    LEU   63 - HB3   LEU   63   3.30 +/- 0.23  86.704% * 99.6457% (1.00  10.0   7.59 240.61) =  99.988%  kept
          HN    ILE   56 - HB3   LEU   63  11.33 +/- 2.63   8.042% *  0.0990% (0.99   1.0   0.02   0.02) =   0.009%
          HD21  ASN   28 - HB3   LEU   63  17.65 +/- 3.80   2.604% *  0.0486% (0.49   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB3   LEU   63  16.18 +/- 2.50   0.906% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ALA   84 - HB3   LEU   63  18.81 +/- 2.39   0.522% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  16.14 +/- 2.46   0.907% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.18 +/- 2.79   0.316% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.763, support = 7.54, residual support = 240.1:
          HN    LEU   63 - HG    LEU   63   3.34 +/- 0.65  72.730% * 98.3134% (0.76   7.56 240.61) =  99.787%  kept
          QE    PHE   60 - HG    LEU   63   7.02 +/- 1.69  19.485% *  0.7028% (0.20   0.21  10.22) =   0.191%  kept
          HN    ILE   56 - HG    LEU   63  10.75 +/- 1.71   3.338% *  0.2202% (0.65   0.02   0.02) =   0.010%
          HZ2   TRP   87 - HG    LEU   63  16.43 +/- 2.52   1.258% *  0.2601% (0.76   0.02   0.02) =   0.005%
          HD21  ASN   28 - HG    LEU   63  18.12 +/- 3.33   0.952% *  0.3142% (0.92   0.02   0.02) =   0.004%
          HN    LYS+ 111 - HG    LEU   63  15.48 +/- 2.86   1.526% *  0.0946% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - HG    LEU   63  19.15 +/- 2.74   0.711% *  0.0946% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.168, support = 3.0, residual support = 9.71:
        T HA    PHE   60 - QD1   LEU   63   3.41 +/- 0.95  37.139% * 67.3845% (0.14 10.00   3.15  10.22) =  94.754%  kept
          HA    ALA  120 - QD1   LEU   63   9.61 +/- 3.06   6.086% *  7.3461% (0.95  1.00   0.31   0.02) =   1.693%  kept
          HB    THR   94 - QD1   LEU   63  10.56 +/- 3.11   4.138% *  8.7642% (0.97  1.00   0.36   0.02) =   1.373%  kept
          HA    LYS+  65 - QD1   LEU   63   7.89 +/- 0.48   4.285% *  5.4323% (0.57  1.00   0.39   3.06) =   0.881%  kept
          QB    SER  117 - QD1   LEU   63   9.13 +/- 2.73   8.330% *  1.4123% (0.61  1.00   0.09   0.02) =   0.445%  kept
          HA    LYS+ 121 - QD1   LEU   63  10.79 +/- 3.00   3.189% *  2.0643% (0.92  1.00   0.09   0.02) =   0.249%  kept
        T HA    PHE   60 - QD1   LEU   73  10.56 +/- 2.61   8.221% *  0.6738% (0.14 10.00   0.02   1.29) =   0.210%  kept
          HA    LYS+ 121 - QD1   LEU  104  12.34 +/- 6.07   3.480% *  0.8557% (0.23  1.00   0.15   0.02) =   0.113%  kept
          QB    SER   48 - QD1   LEU   63  12.64 +/- 2.66   2.207% *  0.4968% (1.00  1.00   0.02   0.02) =   0.042%
          QB    SER  117 - QD1   LEU   73  16.23 +/- 3.47   2.858% *  0.3020% (0.61  1.00   0.02   0.02) =   0.033%
          HB    THR   94 - QD1   LEU   73  11.28 +/- 2.09   1.607% *  0.4805% (0.97  1.00   0.02   0.02) =   0.029%
          HA    LYS+  65 - QD1   LEU   73  10.15 +/- 1.35   2.284% *  0.2819% (0.57  1.00   0.02   0.02) =   0.024%
          QB    SER   48 - QD1   LEU   73  12.27 +/- 2.63   1.233% *  0.4968% (1.00  1.00   0.02   0.02) =   0.023%
          HA2   GLY   51 - QD1   LEU   63  13.48 +/- 3.34   1.207% *  0.4319% (0.87  1.00   0.02   0.02) =   0.020%
          HA2   GLY   16 - QD1   LEU   73  12.71 +/- 2.53   1.114% *  0.3221% (0.65  1.00   0.02   0.02) =   0.014%
          HA2   GLY   16 - QD1   LEU   63  12.41 +/- 1.45   1.097% *  0.3221% (0.65  1.00   0.02   0.02) =   0.013%
          HA    LYS+ 121 - QD1   LEU   73  18.59 +/- 3.56   0.694% *  0.4596% (0.92  1.00   0.02   0.02) =   0.012%
          HA    ALA  120 - QD1   LEU   73  18.42 +/- 3.42   0.670% *  0.4710% (0.95  1.00   0.02   0.02) =   0.012%
          QB    SER   85 - QD1   LEU   73  12.94 +/- 1.55   0.892% *  0.3221% (0.65  1.00   0.02   0.02) =   0.011%
          HA2   GLY   51 - QD1   LEU   73  16.94 +/- 3.27   0.606% *  0.4319% (0.87  1.00   0.02   0.02) =   0.010%
        T HA    PHE   60 - QD1   LEU  104  13.17 +/- 2.77   1.557% *  0.1649% (0.03 10.00   0.02   0.02) =   0.010%
          HB    THR   94 - QD1   LEU  104  13.56 +/- 1.95   1.533% *  0.1176% (0.24  1.00   0.02   0.02) =   0.007%
          HA    ALA  120 - QD1   LEU  104  14.33 +/- 4.81   1.257% *  0.1153% (0.23  1.00   0.02   0.02) =   0.005%
          QB    SER   85 - QD1   LEU   63  17.22 +/- 2.28   0.448% *  0.3221% (0.65  1.00   0.02   0.02) =   0.005%
          QB    SER  117 - QD1   LEU  104  12.62 +/- 2.59   1.388% *  0.0739% (0.15  1.00   0.02   0.02) =   0.004%
          QB    SER   85 - QD1   LEU  104  16.26 +/- 2.74   0.855% *  0.0788% (0.16  1.00   0.02   0.02) =   0.003%
          QB    SER   48 - QD1   LEU  104  18.91 +/- 2.84   0.430% *  0.1216% (0.24  1.00   0.02   0.02) =   0.002%
          HA    LYS+  65 - QD1   LEU  104  15.54 +/- 2.08   0.526% *  0.0690% (0.14  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU  104  16.95 +/- 2.95   0.451% *  0.0788% (0.16  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  104  22.69 +/- 3.38   0.221% *  0.1057% (0.21  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.486, support = 3.14, residual support = 20.4:
        T HZ3   TRP   27 - QD1   LEU   73   4.04 +/- 1.55  56.176% * 87.0464% (0.49 10.00   3.27  21.30) =  95.873%  kept
        T HZ3   TRP   27 - QD1   LEU   63   9.84 +/- 2.66  16.631% * 12.4491% (0.49 10.00   0.29   0.02) =   4.059%  kept
        T HZ3   TRP   27 - QD1   LEU  104  11.25 +/- 2.46   6.859% *  0.2131% (0.12 10.00   0.02   0.02) =   0.029%
          HZ    PHE   45 - QD1   LEU   73   9.22 +/- 2.39   9.248% *  0.1299% (0.73  1.00   0.02   0.02) =   0.024%
          HZ    PHE   45 - QD1   LEU   63  11.45 +/- 2.69   4.381% *  0.1299% (0.73  1.00   0.02   0.02) =   0.011%
          HZ    PHE   45 - QD1   LEU  104  12.12 +/- 2.93   6.705% *  0.0318% (0.18  1.00   0.02   0.02) =   0.004%
    Distance limit 3.77 A violated in 2 structures by 0.30 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.811, support = 1.18, residual support = 7.39:
          QD    PHE   60 - QD1   LEU   63   4.45 +/- 1.38  27.056% * 29.7647% (0.87   1.36  10.22) =  58.385%  kept
          HN    LYS+  66 - QD1   LEU   63   5.81 +/- 0.72   8.627% * 28.6574% (0.95   1.20   7.44) =  17.924%  kept
          QE    PHE   59 - QD1   LEU   63   4.35 +/- 2.55  35.660% *  5.9019% (0.49   0.48   0.02) =  15.258%  kept
          QD    PHE   60 - QD1   LEU   73   8.71 +/- 2.61   3.185% * 27.5753% (0.87   1.26   1.29) =   6.368%  kept
          HN    PHE   59 - QD1   LEU   63   6.17 +/- 1.01   8.055% *  2.7052% (0.18   0.61   0.02) =   1.580%  kept
          HN    LYS+  66 - QD1   LEU   73  11.30 +/- 1.01   0.809% *  4.1629% (0.95   0.17   0.02) =   0.244%  kept
          QE    PHE   59 - QD1   LEU   73  11.65 +/- 3.26  10.600% *  0.2450% (0.49   0.02   0.02) =   0.188%  kept
          HN    LYS+  81 - QD1   LEU   73  11.10 +/- 1.66   1.131% *  0.2648% (0.53   0.02   0.02) =   0.022%
          QD    PHE   60 - QD1   LEU  104  12.51 +/- 3.19   1.285% *  0.1069% (0.21   0.02   0.02) =   0.010%
          HN    LYS+  81 - QD1   LEU   63  17.03 +/- 2.72   0.388% *  0.2648% (0.53   0.02   0.02) =   0.007%
          QE    PHE   59 - QD1   LEU  104  11.02 +/- 2.73   0.923% *  0.0600% (0.12   0.02   0.02) =   0.004%
          HN    PHE   59 - QD1   LEU   73  13.55 +/- 2.59   0.537% *  0.0881% (0.18   0.02   0.02) =   0.003%
          HN    LYS+  66 - QD1   LEU  104  14.47 +/- 1.96   0.402% *  0.1165% (0.23   0.02   0.02) =   0.003%
          HN    PHE   59 - QD1   LEU  104  15.16 +/- 4.00   1.031% *  0.0216% (0.04   0.02   0.02) =   0.002%
          HN    LYS+  81 - QD1   LEU  104  18.85 +/- 3.63   0.311% *  0.0648% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.755, support = 5.83, residual support = 209.0:
          HN    LEU   63 - QD1   LEU   63   3.45 +/- 0.63  34.930% * 56.6794% (0.76   6.41 240.61) =  86.719%  kept
          HD21  ASN   28 - QD1   LEU   73   6.83 +/- 2.30   6.836% * 26.6581% (0.92   2.50   1.06) =   7.982%  kept
          QE    PHE   60 - QD1   LEU   63   5.75 +/- 1.72  16.595% *  3.9390% (0.20   1.72  10.22) =   2.863%  kept
          QE    PHE   60 - QD1   LEU   73   8.50 +/- 2.95   7.885% *  3.1531% (0.20   1.38   1.29) =   1.089%  kept
          HZ2   TRP   87 - QD1   LEU   73   9.40 +/- 3.80   4.736% *  2.9467% (0.76   0.33   0.02) =   0.611%  kept
          HD21  ASN   28 - QD1   LEU   63  15.07 +/- 3.38   3.766% *  2.1073% (0.92   0.20   0.02) =   0.348%  kept
          HN    LEU   63 - QD1   LEU   73  10.93 +/- 1.49   2.008% *  3.5648% (0.76   0.40   0.02) =   0.314%  kept
          HN    ILE   56 - QD1   LEU   63   8.82 +/- 1.88   3.756% *  0.1496% (0.65   0.02   0.02) =   0.025%
          HZ2   TRP   87 - QD1   LEU  104  11.37 +/- 3.79   8.177% *  0.0433% (0.19   0.02   0.02) =   0.015%
          HZ2   TRP   87 - QD1   LEU   63  13.51 +/- 2.31   1.231% *  0.1768% (0.76   0.02   0.02) =   0.010%
          HN    ILE   56 - QD1   LEU   73  15.09 +/- 3.26   1.039% *  0.1496% (0.65   0.02   0.02) =   0.007%
          HN    LYS+ 111 - QD1   LEU   63  12.47 +/- 2.87   1.703% *  0.0643% (0.28   0.02   0.02) =   0.005%
          HN    ALA   84 - QD1   LEU   73  11.08 +/- 1.82   1.420% *  0.0643% (0.28   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD1   LEU   73  17.93 +/- 3.72   0.755% *  0.0643% (0.28   0.02   0.02) =   0.002%
          HN    ALA   84 - QD1   LEU   63  15.87 +/- 2.64   0.724% *  0.0643% (0.28   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU  104  13.58 +/- 2.28   0.656% *  0.0433% (0.19   0.02   0.02) =   0.001%
          HD21  ASN   28 - QD1   LEU  104  15.57 +/- 2.58   0.494% *  0.0523% (0.23   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU  104  13.11 +/- 3.50   2.217% *  0.0112% (0.05   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU  104  18.30 +/- 3.32   0.273% *  0.0366% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  16.45 +/- 3.48   0.419% *  0.0157% (0.07   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  16.87 +/- 1.77   0.379% *  0.0157% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.21, residual support = 20.6:
      O   HN    ALA   64 - HA    ALA   64   2.79 +/- 0.08 100.000% *100.0000% (0.97  10.0   4.21  20.58) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.735, support = 3.45, residual support = 46.6:
        T QD    PHE   72 - HA    ALA   64   3.39 +/- 0.68  44.738% * 60.4788% (0.87 10.00   3.56  46.61) =  55.989%  kept
        T HZ    PHE   72 - HA    ALA   64   3.30 +/- 0.74  53.878% * 39.4733% (0.57 10.00   3.30  46.61) =  44.009%  kept
          QE    PHE   45 - HA    ALA   64  11.44 +/- 1.70   1.385% *  0.0479% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 3.61 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 = 0.867, support = 1.17, residual support = 3.92:
          HN    LEU   67 - HA    ALA   64   3.44 +/- 0.54  80.050% * 88.0197% (0.87   1.18   3.95) =  99.269%  kept
          QE    PHE   95 - HA    ALA   64  10.05 +/- 2.15   5.616% *  6.6460% (0.98   0.08   0.37) =   0.526%  kept
          HE3   TRP   27 - HA    ALA   64  10.22 +/- 1.92   8.702% *  0.9724% (0.57   0.02   0.02) =   0.119%  kept
          HN    THR   23 - HA    ALA   64  14.23 +/- 1.36   1.380% *  1.7024% (0.99   0.02   0.02) =   0.033%
          HD1   TRP   49 - HA    ALA   64  17.63 +/- 4.16   1.754% *  0.9037% (0.53   0.02   0.02) =   0.022%
          QD    PHE   55 - HA    ALA   64  14.94 +/- 1.40   1.125% *  1.1111% (0.65   0.02   0.02) =   0.018%
          HD2   HIS   22 - HA    ALA   64  14.72 +/- 1.63   1.373% *  0.6446% (0.38   0.02   0.02) =   0.012%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.7, support = 2.65, residual support = 7.36:
          QG2   VAL   18 - QB    ALA   64   3.54 +/- 2.34  42.080% * 47.2474% (0.84   2.13   9.19) =  70.430%  kept
          QD2   LEU   73 - QB    ALA   64   4.77 +/- 1.04  17.084% * 43.1199% (0.38   4.32   3.40) =  26.096%  kept
          QD1   ILE   19 - QB    ALA   64   6.57 +/- 1.60  11.329% *  7.6930% (0.38   0.77   0.02) =   3.087%  kept
          QG2   THR   46 - QB    ALA   64   6.77 +/- 2.11  12.157% *  0.3861% (0.73   0.02   0.02) =   0.166%  kept
          QG1   VAL   43 - QB    ALA   64   7.40 +/- 1.66   5.786% *  0.5212% (0.98   0.02   0.02) =   0.107%  kept
          QG1   VAL   41 - QB    ALA   64   8.00 +/- 1.54   4.147% *  0.5270% (0.99   0.02   0.02) =   0.077%
          QD1   ILE   56 - QB    ALA   64   8.21 +/- 1.17   4.079% *  0.0931% (0.18   0.02   0.02) =   0.013%
          HG    LEU   31 - QB    ALA   64  10.33 +/- 1.72   1.342% *  0.2797% (0.53   0.02   0.02) =   0.013%
          QD2   LEU  104 - QB    ALA   64  10.94 +/- 2.21   1.997% *  0.1326% (0.25   0.02   0.02) =   0.009%
    Distance limit 2.97 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.853, support = 1.79, residual support = 5.18:
          QB    ALA   61 - QB    ALA   64   4.26 +/- 0.57  24.167% * 13.4588% (0.92   1.20   6.25) =  25.179%  kept
          HB3   LEU   67 - QB    ALA   64   4.89 +/- 1.28  21.066% * 15.3017% (0.99   1.27   3.95) =  24.953%  kept
          QG    LYS+  66 - QB    ALA   64   6.47 +/- 0.76   7.747% * 28.4833% (0.98   2.38   9.29) =  17.082%  kept
          HG    LEU   73 - QB    ALA   64   6.77 +/- 1.11   8.017% * 27.0133% (0.87   2.55   3.40) =  16.765%  kept
          HG    LEU   67 - QB    ALA   64   5.42 +/- 1.41  17.077% *  8.8308% (0.28   2.61   3.95) =  11.674%  kept
          HG12  ILE   19 - QB    ALA   64   6.99 +/- 1.84   9.011% *  6.0809% (0.65   0.77   0.02) =   4.242%  kept
          HG    LEU   40 - QB    ALA   64   7.89 +/- 1.57   6.131% *  0.0915% (0.38   0.02   0.02) =   0.043%
          HG    LEU   80 - QB    ALA   64  11.30 +/- 1.99   1.574% *  0.1863% (0.76   0.02   0.02) =   0.023%
          HB3   LEU  115 - QB    ALA   64   9.94 +/- 1.38   1.876% *  0.0915% (0.38   0.02   0.02) =   0.013%
          QB    ALA  110 - QB    ALA   64  13.63 +/- 1.60   0.792% *  0.1771% (0.73   0.02   0.02) =   0.011%
          HG2   LYS+ 102 - QB    ALA   64  16.54 +/- 2.38   0.475% *  0.1863% (0.76   0.02   0.02) =   0.007%
          HB2   LEU   80 - QB    ALA   64  11.72 +/- 1.80   1.250% *  0.0608% (0.25   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - QB    ALA   64  13.63 +/- 1.92   0.816% *  0.0376% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.874, support = 2.25, residual support = 5.45:
          HB3   LEU   67 - HA    ALA   64   3.79 +/- 1.72  31.678% * 26.8442% (0.99   2.01   3.95) =  47.957%  kept
          QG    LYS+  66 - HA    ALA   64   6.30 +/- 1.07  15.044% * 33.1547% (0.98   2.51   9.29) =  28.130%  kept
          HG    LEU   67 - HA    ALA   64   4.59 +/- 1.61  20.842% * 12.1103% (0.28   3.24   3.95) =  14.235%  kept
          HG    LEU   73 - HA    ALA   64   9.54 +/- 1.38   5.956% * 19.2857% (0.87   1.65   3.40) =   6.478%  kept
          QB    ALA   61 - HA    ALA   64   6.56 +/- 0.36   6.887% *  6.5099% (0.92   0.52   6.25) =   2.528%  kept
          HG12  ILE   19 - HA    ALA   64   9.12 +/- 2.24   9.167% *  1.1775% (0.65   0.14   0.02) =   0.609%  kept
          HG    LEU   40 - HA    ALA   64   8.48 +/- 1.35   6.268% *  0.1010% (0.38   0.02   0.02) =   0.036%
          HG    LEU   80 - HA    ALA   64  14.75 +/- 2.28   0.676% *  0.2057% (0.76   0.02   0.02) =   0.008%
          HB3   LEU  115 - HA    ALA   64  12.19 +/- 1.61   1.288% *  0.1010% (0.38   0.02   0.02) =   0.007%
          QB    ALA  110 - HA    ALA   64  16.69 +/- 1.95   0.432% *  0.1955% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HA    ALA   64  19.40 +/- 2.22   0.246% *  0.2057% (0.76   0.02   0.02) =   0.003%
          HB2   LEU   80 - HA    ALA   64  15.27 +/- 1.97   0.591% *  0.0671% (0.25   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HA    ALA   64  15.72 +/- 2.76   0.924% *  0.0415% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 3.56, residual support = 46.5:
        T HB3   PHE   72 - QB    ALA   64   4.02 +/- 0.96  39.696% * 99.3598% (0.76 10.00   3.57  46.61) =  99.839%  kept
          HB2   ASP-  44 - QB    ALA   64   4.94 +/- 2.24  37.710% *  0.1128% (0.87  1.00   0.02   0.02) =   0.108%  kept
          QG    GLU-  14 - QB    ALA   64  10.49 +/- 2.81  11.152% *  0.1086% (0.84  1.00   0.02   0.02) =   0.031%
          QG    GLU-  15 - QB    ALA   64   9.63 +/- 2.04   3.761% *  0.1230% (0.95  1.00   0.02   0.02) =   0.012%
          HG12  ILE  119 - QB    ALA   64   9.82 +/- 1.68   4.069% *  0.0443% (0.34  1.00   0.02   0.02) =   0.005%
          QB    MET   11 - QB    ALA   64  14.77 +/- 3.28   1.130% *  0.1166% (0.90  1.00   0.02   0.02) =   0.003%
          QG    GLN   90 - QB    ALA   64  15.12 +/- 1.64   0.808% *  0.0893% (0.69  1.00   0.02   0.02) =   0.002%
          HG2   MET   92 - QB    ALA   64  14.44 +/- 2.53   0.992% *  0.0228% (0.18  1.00   0.02   0.02) =   0.001%
          HG3   GLU-  36 - QB    ALA   64  16.37 +/- 1.77   0.682% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.31, residual support = 6.24:
        T HA    ALA   61 - QB    ALA   64   3.27 +/- 0.81  68.297% * 98.9589% (1.00 10.00   2.31   6.25) =  99.796%  kept
          HD2   PRO   68 - QB    ALA   64   6.73 +/- 1.13  14.055% *  0.9485% (0.92  1.00   0.21   0.02) =   0.197%  kept
          HA    VAL   75 - QB    ALA   64   7.11 +/- 0.91  11.861% *  0.0247% (0.25  1.00   0.02   0.02) =   0.004%
          HD3   PRO   58 - QB    ALA   64  10.25 +/- 1.07   2.754% *  0.0483% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QB    ALA   64  11.21 +/- 1.62   3.032% *  0.0196% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.894, support = 2.96, residual support = 9.15:
          HA    VAL   18 - QB    ALA   64   4.56 +/- 3.06  53.224% * 95.4749% (0.90   2.98   9.19) =  99.628%  kept
          HA    VAL   70 - QB    ALA   64   6.44 +/- 0.99  22.633% *  0.2942% (0.41   0.02   0.02) =   0.131%  kept
          HA    SER   48 - QB    ALA   64  11.79 +/- 2.83   7.014% *  0.6768% (0.95   0.02   0.02) =   0.093%
          HA    GLN  116 - QB    ALA   64  10.92 +/- 1.72   6.091% *  0.2942% (0.41   0.02   0.02) =   0.035%
          HA    GLU-  29 - QB    ALA   64  13.99 +/- 1.48   1.966% *  0.6207% (0.87   0.02   0.02) =   0.024%
          HD2   PRO   52 - QB    ALA   64  13.76 +/- 1.69   2.795% *  0.3764% (0.53   0.02   0.02) =   0.021%
          HA    LYS+  33 - QB    ALA   64  14.14 +/- 1.55   1.891% *  0.5196% (0.73   0.02   0.02) =   0.019%
          HA    GLN   32 - QB    ALA   64  14.27 +/- 1.55   1.846% *  0.5196% (0.73   0.02   0.02) =   0.019%
          HB2   SER   82 - QB    ALA   64  16.07 +/- 1.58   1.183% *  0.6768% (0.95   0.02   0.02) =   0.016%
          HA    ALA   88 - QB    ALA   64  17.15 +/- 2.14   1.356% *  0.5468% (0.76   0.02   0.02) =   0.015%
    Distance limit 3.75 A violated in 2 structures by 0.48 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.498, support = 1.15, residual support = 1.01:
        T HA    GLN   17 - QB    ALA   64   6.65 +/- 3.21  38.848% * 93.9962% (0.49 10.00   1.19   1.03) =  97.371%  kept
        T HA    VAL   42 - QB    ALA   64   7.43 +/- 1.45  25.988% *  3.1929% (0.98 10.00   0.02   0.02) =   2.213%  kept
        T HA    PHE   55 - QB    ALA   64  12.87 +/- 2.02   5.074% *  2.2376% (0.69 10.00   0.02   0.02) =   0.303%  kept
          HA    THR   46 - QB    ALA   64   9.98 +/- 2.27  15.188% *  0.1339% (0.41  1.00   0.02   0.02) =   0.054%
          HA    SER   37 - QB    ALA   64  14.12 +/- 2.11   9.157% *  0.1586% (0.49  1.00   0.02   0.02) =   0.039%
          HA    ALA  110 - QB    ALA   64  15.95 +/- 2.57   3.311% *  0.1223% (0.38  1.00   0.02   0.02) =   0.011%
          HA    GLN   90 - QB    ALA   64  15.97 +/- 1.75   2.434% *  0.1586% (0.49  1.00   0.02   0.02) =   0.010%
    Distance limit 4.10 A violated in 8 structures by 1.43 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.997, support = 2.24, residual support = 9.18:
          HN    VAL   18 - QB    ALA   64   5.40 +/- 3.10  75.445% * 99.5972% (1.00   2.25   9.19) =  99.938%  kept
          HN    GLU-  29 - QB    ALA   64  13.02 +/- 1.46  15.728% *  0.1557% (0.18   0.02   0.02) =   0.033%
          HN    SER   13 - QB    ALA   64  14.11 +/- 2.09   8.827% *  0.2471% (0.28   0.02   0.02) =   0.029%
    Distance limit 3.91 A violated in 7 structures by 1.59 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.825, support = 5.66, residual support = 46.6:
        T QD    PHE   72 - QB    ALA   64   2.66 +/- 0.56  50.313% * 85.0785% (0.87 10.00   5.72  46.61) =  85.833%  kept
          HZ    PHE   72 - QB    ALA   64   3.12 +/- 1.11  47.555% * 14.8541% (0.57  1.00   5.35  46.61) =  14.164%  kept
          QE    PHE   45 - QB    ALA   64   8.87 +/- 1.94   2.132% *  0.0674% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.21, residual support = 20.6:
      O   HN    ALA   64 - QB    ALA   64   2.05 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.21  20.58) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 157.7:
      O   HN    LYS+  65 - HA    LYS+  65   2.81 +/- 0.06  99.285% * 99.9887% (0.71  10.0   6.08 157.75) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  16.36 +/- 2.45   0.715% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 0.02:
          HN    GLY   16 - HA    LYS+  65  10.91 +/- 4.25  37.521% * 34.8898% (0.87   0.02   0.02) =  71.850%  kept
          HN    SER  117 - HA    LYS+  65  17.07 +/- 1.38   7.237% * 28.1870% (0.71   0.02   0.02) =  11.197%  kept
          HN    SER   82 - HA    LYS+  65  21.18 +/- 2.81   5.538% * 26.7825% (0.67   0.02   0.02) =   8.141%  kept
          HN    SER  117 - HA    LYS+ 121   9.19 +/- 0.62  44.572% *  3.1809% (0.08   0.02   0.02) =   7.782%  kept
          HN    GLY   16 - HA    LYS+ 121  22.94 +/- 4.37   3.555% *  3.9373% (0.10   0.02   0.02) =   0.768%  kept
          HN    SER   82 - HA    LYS+ 121  28.75 +/- 2.76   1.576% *  3.0224% (0.08   0.02   0.02) =   0.261%  kept
    Distance limit 3.49 A violated in 19 structures by 4.62 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.86, residual support = 29.2:
          HN    LYS+  65 - QB    ALA   64   2.85 +/- 0.21 100.000% *100.0000% (0.31   4.86  29.18) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.08, residual support = 46.6:
          QE    PHE   72 - HA    ALA   64   2.53 +/- 0.54  99.066% * 99.3473% (0.65   4.08  46.61) =  99.994%  kept
          HD22  ASN   28 - HA    ALA   64  15.06 +/- 2.05   0.934% *  0.6527% (0.87   0.02   0.02) =   0.006%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.92, residual support = 4.13:
          HA    ASP-  62 - QB    LYS+  65   2.81 +/- 0.74  96.641% * 97.9730% (0.80   1.92   4.13) =  99.982%  kept
          HB    THR   26 - QB    LYS+  65  15.44 +/- 2.02   1.102% *  0.7218% (0.57   0.02   0.02) =   0.008%
          HA    SER   82 - QB    LYS+  65  21.32 +/- 2.90   0.596% *  0.8247% (0.65   0.02   0.02) =   0.005%
          HA    SER  117 - QB    LYS+  65  14.76 +/- 1.38   0.915% *  0.2838% (0.22   0.02   0.02) =   0.003%
          HA    GLU-  25 - QB    LYS+  65  18.77 +/- 2.46   0.746% *  0.1967% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.49 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.66, residual support = 157.7:
      O   HN    LYS+  65 - QB    LYS+  65   2.16 +/- 0.15 100.000% *100.0000% (0.76  10.0   6.66 157.75) = 100.000%  kept
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.529, support = 5.98, residual support = 30.7:
          HN    LYS+  66 - QB    LYS+  65   3.00 +/- 0.40  86.280% * 92.6718% (0.53   6.02  30.87) =  99.317%  kept
          QD    PHE   60 - QB    LYS+  65   7.18 +/- 0.97   8.101% *  6.6956% (0.97   0.24   0.02) =   0.674%  kept
          HN    LYS+  81 - QB    LYS+  65  18.46 +/- 2.74   0.714% *  0.5534% (0.95   0.02   0.02) =   0.005%
          QE    PHE   59 - QB    LYS+  65   9.02 +/- 1.10   4.906% *  0.0792% (0.14   0.02   0.02) =   0.005%
    Distance limit 3.09 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.23, residual support = 157.7:
          HN    LYS+  65 - HG2   LYS+  65   3.85 +/- 0.55 100.000% *100.0000% (0.31   5.23 157.75) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.833, support = 5.14, residual support = 140.2:
      O T HA    LYS+  65 - HG3   LYS+  65   3.20 +/- 0.54  47.743% * 57.2471% (0.87  10.0 10.00   5.27 157.75) =  87.659%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.97 +/- 0.72   9.767% * 39.1477% (0.59   1.0 10.00   4.22  15.56) =  12.263%  kept
        T HA    GLN   32 - HG3   LYS+ 102  14.31 +/- 5.35   1.871% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.022%
          HA    SER   48 - HG3   LYS+  65  15.36 +/- 6.75  12.163% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.011%
        T HA    LYS+  65 - HG3   LYS+  33  16.35 +/- 2.40   0.514% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.008%
          QB    SER   48 - HG3   LYS+  65  15.10 +/- 5.85   6.886% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - HG3   LYS+  65  18.06 +/- 3.28   1.039% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - HG3   LYS+  65  22.07 +/- 2.67   0.193% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HG3   LYS+  65  12.36 +/- 4.46   1.638% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 102  23.28 +/- 2.47   0.179% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.003%
          HD2   PRO   52 - HG3   LYS+  65  17.30 +/- 4.63   1.440% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  65 - HG3   LYS+ 106  19.10 +/- 2.07   0.317% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - HG3   LYS+  33  25.48 +/- 5.83   0.915% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.002%
        T HD2   PRO   52 - HG3   LYS+ 106  21.13 +/- 2.66   0.275% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG3   LYS+ 106  18.60 +/- 2.63   0.323% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  33  13.51 +/- 3.11   0.999% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 106  15.46 +/- 5.79   1.057% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - HG3   LYS+ 102  20.76 +/- 6.72   0.349% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 106  13.62 +/- 2.43   1.398% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  65  16.26 +/- 2.98   0.748% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG3   LYS+  33  25.87 +/- 5.78   0.763% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 102  17.49 +/- 2.92   0.387% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - HG3   LYS+ 106  14.88 +/- 2.05   0.712% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   88 - HG3   LYS+ 102  18.39 +/- 2.53   0.368% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.86 +/- 1.42   2.614% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  17.17 +/- 4.34   1.096% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  23.07 +/- 3.38   0.212% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  20.65 +/- 2.89   0.239% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.90 +/- 4.43   0.199% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.50 +/- 4.58   0.178% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  17.26 +/- 4.02   0.495% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  23.93 +/- 2.54   0.151% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  23.26 +/- 5.07   0.206% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  20.08 +/- 3.02   0.430% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  19.00 +/- 3.10   0.682% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.01 +/- 2.54   0.084% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.21 +/- 2.34   0.086% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  23.72 +/- 3.59   0.146% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  23.87 +/- 3.46   0.147% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  17.92 +/- 1.28   0.336% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  26.65 +/- 2.94   0.118% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  22.13 +/- 3.38   0.179% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  24.83 +/- 2.91   0.156% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.32 +/- 1.73   0.201% *  0.0100% (0.15   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 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.346, support = 2.82, residual support = 23.8:
          HN    ASP- 105 - HG3   LYS+ 106   4.33 +/- 0.60  74.015% * 76.7504% (0.34   2.90  24.63) =  96.662%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.06 +/- 1.29  10.825% * 17.3887% (0.65   0.34   0.02) =   3.203%  kept
          HN    ALA   88 - HG3   LYS+ 106  12.50 +/- 2.41   5.276% *  0.3740% (0.24   0.02   0.02) =   0.034%
          HN    ASP- 105 - HG3   LYS+  65  19.04 +/- 1.99   1.123% *  1.2604% (0.80   0.02   0.02) =   0.024%
          HN    ASP- 105 - HG3   LYS+  33  18.26 +/- 2.06   1.155% *  1.0884% (0.69   0.02   0.02) =   0.021%
          HN    ALA   88 - HG3   LYS+ 102  16.82 +/- 2.83   1.614% *  0.7252% (0.46   0.02   0.02) =   0.020%
          HN    PHE   55 - HG3   LYS+  65  15.61 +/- 3.07   3.093% *  0.2429% (0.15   0.02   0.02) =   0.013%
          HN    ALA   88 - HG3   LYS+  65  23.95 +/- 4.18   0.710% *  0.8912% (0.57   0.02   0.02) =   0.011%
          HN    ALA   88 - HG3   LYS+  33  22.36 +/- 2.80   0.664% *  0.7696% (0.49   0.02   0.02) =   0.009%
          HN    PHE   55 - HG3   LYS+ 106  20.31 +/- 1.55   0.860% *  0.1019% (0.06   0.02   0.02) =   0.001%
          HN    PHE   55 - HG3   LYS+  33  27.09 +/- 2.13   0.348% *  0.2097% (0.13   0.02   0.02) =   0.001%
          HN    PHE   55 - HG3   LYS+ 102  28.35 +/- 2.52   0.318% *  0.1976% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.24, residual support = 118.0:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.05  95.123% * 99.6126% (0.53  10.0   5.24 118.00) =  99.995%  kept
          QD    PHE   60 - HA    LYS+  66  10.33 +/- 0.88   2.260% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - HA    LYS+  66  11.16 +/- 1.89   2.391% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    LYS+  66  22.93 +/- 2.53   0.226% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.3, residual support = 118.0:
      O   HN    LYS+  66 - QB    LYS+  66   2.30 +/- 0.14  94.582% * 99.6126% (0.53  10.0   5.30 118.00) =  99.995%  kept
          QD    PHE   60 - QB    LYS+  66   8.21 +/- 0.69   2.190% *  0.1827% (0.97   1.0   0.02   0.02) =   0.004%
          QE    PHE   59 - QB    LYS+  66   8.40 +/- 1.88   3.078% *  0.0256% (0.14   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - QB    LYS+  66  20.36 +/- 1.54   0.149% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.512, support = 4.97, residual support = 115.0:
          HN    LYS+  66 - QG    LYS+  66   3.31 +/- 0.71  53.468% * 93.1721% (0.53   5.01 118.00) =  97.072%  kept
          HN    LYS+  66 - HG    LEU   67   5.27 +/- 1.31  27.953% *  5.2710% (0.04   3.68  15.26) =   2.871%  kept
          QD    PHE   60 - QG    LYS+  66   8.99 +/- 0.93   2.905% *  0.6818% (0.97   0.02   0.02) =   0.039%
          QD    PHE   60 - HG    LEU   67   9.74 +/- 2.48   9.114% *  0.0525% (0.07   0.02   0.02) =   0.009%
          QE    PHE   59 - QG    LYS+  66   9.32 +/- 2.09   3.180% *  0.0956% (0.14   0.02   0.02) =   0.006%
          HN    LYS+  81 - QG    LYS+  66  21.44 +/- 1.68   0.222% *  0.6683% (0.95   0.02   0.02) =   0.003%
          QE    PHE   59 - HG    LEU   67  10.74 +/- 2.39   2.879% *  0.0074% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  20.32 +/- 2.33   0.280% *  0.0514% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 5.14, residual support = 117.9:
          HN    LYS+  66 - QD    LYS+  66   4.07 +/- 0.51  64.131% * 98.2824% (0.53   5.15 118.00) =  99.910%  kept
          QD    PHE   60 - QD    LYS+  66   9.53 +/- 0.77   5.531% *  0.7005% (0.97   0.02   0.02) =   0.061%
          QE    PHE   59 - QD    LYS+  66   9.79 +/- 2.33   9.043% *  0.0982% (0.14   0.02   0.02) =   0.014%
          HN    LYS+  81 - QD    LYS+  66  21.90 +/- 1.85   0.491% *  0.6867% (0.95   0.02   0.02) =   0.005%
          QD    PHE   60 - HD2   LYS+ 121  12.88 +/- 1.33   2.370% *  0.0871% (0.12   0.02   0.02) =   0.003%
          QE    PHE   59 - HD2   LYS+ 121   7.08 +/- 0.87  15.287% *  0.0122% (0.02   0.02   0.02) =   0.003%
          HN    LYS+  66 - HD2   LYS+ 121  14.79 +/- 3.27   2.861% *  0.0475% (0.07   0.02   0.02) =   0.002%
          HN    LYS+  81 - HD2   LYS+ 121  26.25 +/- 2.69   0.285% *  0.0854% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.486, support = 3.65, residual support = 60.2:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  70.471% * 41.3073% (0.47  10.0 10.00   3.08  60.56) =  72.174%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.61 +/- 0.29  23.607% * 46.3673% (0.53  10.0  1.00   5.14  60.56) =  27.139%  kept
          QG    LYS+  66 - HB2   LEU   67   5.96 +/- 0.87   2.474% * 10.8554% (0.61   1.0  1.00   4.07  15.26) =   0.666%  kept
        T HG    LEU   40 - HB2   LEU   67   8.34 +/- 1.93   1.260% *  0.5334% (0.61   1.0 10.00   0.02   0.02) =   0.017%
        T HB3   LEU  115 - HB2   LEU   67  14.28 +/- 2.66   0.208% *  0.5334% (0.61   1.0 10.00   0.02   0.02) =   0.003%
        T HG    LEU  115 - HB2   LEU   67  15.18 +/- 2.36   0.149% *  0.1775% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   LEU   67  11.93 +/- 1.94   0.264% *  0.0616% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   9.33 +/- 0.92   0.521% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.72 +/- 3.31   0.510% *  0.0142% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  14.36 +/- 4.44   0.275% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  19.22 +/- 2.73   0.068% *  0.0637% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  16.43 +/- 2.44   0.105% *  0.0197% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  18.22 +/- 2.75   0.089% *  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   2.60 +/- 0.33  74.078% * 97.8060% (0.70  10.0 10.00   3.25  60.56) =  99.739%  kept
        T QD2   LEU   40 - HB2   LEU   67   8.17 +/- 2.01  10.217% *  0.9934% (0.71   1.0 10.00   0.02   0.02) =   0.140%  kept
          QD2   LEU   71 - HB2   LEU   67   7.27 +/- 2.32   8.836% *  0.9364% (0.22   1.0  1.00   0.60   0.02) =   0.114%  kept
          HG3   LYS+  74 - HB2   LEU   67  11.36 +/- 3.36   3.785% *  0.0812% (0.58   1.0  1.00   0.02   0.02) =   0.004%
          HB    VAL   75 - HB2   LEU   67  10.68 +/- 1.35   1.253% *  0.0696% (0.50   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HB2   LEU   67  13.62 +/- 2.46   0.958% *  0.0909% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   67  13.84 +/- 2.23   0.873% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 60.5:
          HA    LEU   67 - QD2   LEU   67   2.96 +/- 0.76  94.822% * 98.8214% (0.53   2.76  60.56) =  99.935%  kept
          HA    ASP-  76 - QD2   LEU   67  12.50 +/- 2.76   5.178% *  1.1786% (0.87   0.02   0.02) =   0.065%
    Distance limit 2.98 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.725, support = 3.1, residual support = 60.5:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  70.633% * 96.8242% (0.73  10.0  1.00   3.10  60.56) =  99.847%  kept
        T HG    LEU   40 - QD1   LEU   67   7.02 +/- 1.92   4.775% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.056%
        T HB2   LYS+  74 - QD1   LEU   67   7.78 +/- 2.87   8.878% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.053%
          HB3   LEU   40 - QD1   LEU   67   6.95 +/- 2.00  10.693% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.019%
        T HG    LEU  115 - QD1   LEU   67  11.90 +/- 2.60   0.872% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.017%
        T HG    LEU   73 - QD1   LEU   67   8.96 +/- 1.75   1.223% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU   67  12.06 +/- 3.25   0.755% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU  115 - QD1   LEU   67  11.11 +/- 2.49   1.063% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QD1   LEU   67  10.65 +/- 1.91   0.893% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  15.57 +/- 2.20   0.215% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.335, support = 3.19, residual support = 58.8:
      O T HB2   LEU   67 - QD1   LEU   67   2.60 +/- 0.33  66.800% * 76.0037% (0.31  10.0 10.00   3.25  60.56) =  95.697%  kept
          HG2   PRO   68 - QD1   LEU   67   6.67 +/- 1.02   9.839% * 22.9354% (0.92   1.0  1.00   2.02  19.91) =   4.253%  kept
          HB    ILE   19 - QD1   LEU   67   8.87 +/- 2.59   3.261% *  0.2136% (0.87   1.0  1.00   0.02   0.02) =   0.013%
          HB2   GLN   17 - QD1   LEU   67   8.37 +/- 3.77   7.166% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.009%
          QB    GLU- 114 - QD1   LEU   67  13.27 +/- 3.19   2.274% *  0.1972% (0.80   1.0  1.00   0.02   0.02) =   0.008%
          HB2   LEU  115 - QD1   LEU   67  11.53 +/- 2.77   2.295% *  0.1691% (0.69   1.0  1.00   0.02   0.02) =   0.007%
          QB    GLU-  15 - QD1   LEU   67  10.19 +/- 3.24   3.652% *  0.0685% (0.28   1.0  1.00   0.02   0.02) =   0.005%
          HB2   LYS+ 111 - QD1   LEU   67  16.47 +/- 3.61   3.780% *  0.0548% (0.22   1.0  1.00   0.02   0.02) =   0.004%
          HG3   PRO   58 - QD1   LEU   67  13.46 +/- 1.91   0.626% *  0.1788% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   LEU   67  16.84 +/- 2.03   0.307% *  0.1104% (0.45   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 3.21, residual support = 60.4:
      O   QD2   LEU   67 - HG    LEU   67   2.10 +/- 0.02  70.257% * 98.2538% (0.87  10.0  1.00   3.21  60.56) =  99.721%  kept
          QD2   LEU   67 - QG    LYS+  66   4.68 +/- 1.19  15.569% *  1.0351% (0.07   1.0  1.00   2.74  15.26) =   0.233%  kept
        T QD1   LEU   40 - HG    LEU   67   6.82 +/- 2.04   4.643% *  0.6870% (0.61   1.0 10.00   0.02   0.02) =   0.046%
          QG2   ILE  119 - HG    LEU   67  10.88 +/- 3.86   1.313% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   7.94 +/- 3.48   7.093% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   9.08 +/- 1.28   1.125% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.737, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  11.75 +/- 1.78  27.717% * 52.9912% (0.98   0.02   0.02) =  48.540%  kept
          QG1   VAL   83 - QD1   LEU   67  11.19 +/- 1.44  29.956% * 34.9728% (0.65   0.02   0.02) =  34.623%  kept
          QD1   LEU  104 - QD1   LEU   67  10.02 +/- 2.67  42.328% * 12.0360% (0.22   0.02   0.02) =  16.837%  kept
    Distance limit 3.18 A violated in 19 structures by 5.12 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.846, support = 3.11, residual support = 26.8:
        T HZ    PHE   72 - QD1   LEU   67   3.29 +/- 0.76  52.990% * 75.7718% (0.97 10.00   3.54  26.85) =  78.515%  kept
        T QD    PHE   72 - QD1   LEU   67   3.81 +/- 1.10  45.382% * 24.2087% (0.41 10.00   1.50  26.85) =  21.484%  kept
          QE    PHE   45 - QD1   LEU   67  10.03 +/- 1.54   1.628% *  0.0196% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.8, support = 4.08, residual support = 26.8:
          QE    PHE   72 - QD1   LEU   67   2.78 +/- 0.61  83.222% * 99.2683% (0.80   4.08  26.85) =  99.955%  kept
          QD    PHE   95 - QD1   LEU   67   8.72 +/- 2.48  15.259% *  0.1874% (0.31   0.02   0.02) =   0.035%
          HN    ALA   47 - QD1   LEU   67  13.27 +/- 2.77   1.519% *  0.5444% (0.90   0.02   0.02) =   0.010%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.602, support = 0.02, residual support = 0.02:
        T HA    ARG+  54 - HG    LEU   67  17.02 +/- 4.21   7.205% * 57.9196% (0.73 10.00   0.02   0.02) =  54.863%  kept
        T HA    LEU  115 - HG    LEU   67  14.73 +/- 3.43  11.681% * 15.7849% (0.20 10.00   0.02   0.02) =  24.241%  kept
          HA    ALA  124 - HG    LEU   67  18.29 +/- 6.62   9.337% *  6.6623% (0.84  1.00   0.02   0.02) =   8.179%  kept
          HA    GLU-  36 - HG    LEU   67  18.69 +/- 2.66   5.602% *  7.5452% (0.95  1.00   0.02   0.02) =   5.557%  kept
          HA    LYS+  81 - HG    LEU   67  20.73 +/- 2.45   2.882% *  7.9057% (0.99  1.00   0.02   0.02) =   2.996%  kept
          HA    ASN   28 - HG    LEU   67  16.96 +/- 1.82   5.886% *  1.7758% (0.22  1.00   0.02   0.02) =   1.374%  kept
          HA    ALA  124 - QG    LYS+  66  14.91 +/- 5.22  15.432% *  0.5129% (0.06  1.00   0.02   0.02) =   1.041%  kept
          HA    ARG+  54 - QG    LYS+  66  13.55 +/- 3.78  15.843% *  0.4459% (0.06  1.00   0.02   0.02) =   0.929%  kept
          HA    GLU-  36 - QG    LYS+  66  20.66 +/- 2.30   3.946% *  0.5808% (0.07  1.00   0.02   0.02) =   0.301%  kept
          HA    LEU  115 - QG    LYS+  66  13.15 +/- 2.55  14.076% *  0.1215% (0.02  1.00   0.02   0.02) =   0.225%  kept
          HA    LYS+  81 - QG    LYS+  66  21.67 +/- 1.93   2.411% *  0.6086% (0.08  1.00   0.02   0.02) =   0.193%  kept
          HA    ASN   28 - QG    LYS+  66  18.87 +/- 2.20   5.699% *  0.1367% (0.02  1.00   0.02   0.02) =   0.102%  kept
    Distance limit 3.99 A violated in 19 structures by 4.57 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.153, support = 3.84, residual support = 60.3:
      O   HA    LEU   67 - HG    LEU   67   3.43 +/- 0.52  68.294% * 98.0722% (0.15  10.0   3.85  60.56) =  99.440%  kept
          HA    LEU   67 - QG    LYS+  66   5.10 +/- 0.85  28.829% *  1.2672% (0.01   1.0   3.36  15.26) =   0.542%  kept
          HA    ASP-  76 - HG    LEU   67  14.20 +/- 2.92   1.904% *  0.6134% (0.97   1.0   0.02   0.02) =   0.017%
          HA    ASP-  76 - QG    LYS+  66  15.25 +/- 2.02   0.972% *  0.0472% (0.07   1.0   0.02   0.02) =   0.001%
    Distance limit 3.94 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 = 0.543, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - HG    LEU   67  12.58 +/- 1.70   8.915% * 26.7757% (0.87   0.02   0.02) =  36.555%  kept
          QE    PHE   95 - HG    LEU   67  11.96 +/- 2.83  10.174% * 11.5851% (0.38   0.02   0.02) =  18.050%  kept
          QD    PHE   60 - HG    LEU   67   9.74 +/- 2.48  19.905% *  5.4059% (0.18   0.02   0.02) =  16.478%  kept
          QD    PHE   55 - HG    LEU   67  17.11 +/- 2.37   2.834% * 24.7171% (0.80   0.02   0.02) =  10.729%  kept
          HN    THR   23 - HG    LEU   67  16.58 +/- 2.42   3.982% * 10.5293% (0.34   0.02   0.02) =   6.420%  kept
          HN    LYS+  81 - HG    LEU   67  20.32 +/- 2.33   1.956% * 13.8391% (0.45   0.02   0.02) =   4.146%  kept
          QE    PHE   95 - QG    LYS+  66  11.24 +/- 3.07  15.678% *  0.8918% (0.03   0.02   0.02) =   2.141%  kept
          QD    PHE   55 - QG    LYS+  66  13.63 +/- 2.08   6.361% *  1.9027% (0.06   0.02   0.02) =   1.853%  kept
          HE3   TRP   27 - QG    LYS+  66  14.76 +/- 1.60   5.442% *  2.0612% (0.07   0.02   0.02) =   1.718%  kept
          QD    PHE   60 - QG    LYS+  66   8.99 +/- 0.93  20.235% *  0.4162% (0.01   0.02   0.02) =   1.290%  kept
          HN    THR   23 - QG    LYS+  66  17.41 +/- 2.08   2.989% *  0.8106% (0.03   0.02   0.02) =   0.371%  kept
          HN    LYS+  81 - QG    LYS+  66  21.44 +/- 1.68   1.528% *  1.0653% (0.03   0.02   0.02) =   0.249%  kept
    Distance limit 3.78 A violated in 16 structures by 3.15 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.299, support = 3.07, residual support = 60.0:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  93.427% * 73.7989% (0.29  10.0 10.00   3.08  60.56) =  98.728%  kept
          HG2   PRO   68 - HB3   LEU   67   6.25 +/- 1.01   3.743% * 23.3043% (0.87   1.0  1.00   2.11  19.91) =   1.249%  kept
        T HB    ILE   19 - HB3   LEU   67  11.25 +/- 2.74   0.664% *  2.0741% (0.82   1.0 10.00   0.02   0.02) =   0.020%
          HB2   GLN   17 - HB3   LEU   67  10.24 +/- 3.90   0.809% *  0.0665% (0.26   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HB3   LEU   67  16.31 +/- 3.08   0.250% *  0.1915% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HB3   LEU   67  14.24 +/- 2.73   0.265% *  0.1642% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HB3   LEU   67  16.10 +/- 2.57   0.151% *  0.1736% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67  12.20 +/- 3.02   0.391% *  0.0665% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.26 +/- 3.59   0.236% *  0.0532% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  20.89 +/- 2.43   0.065% *  0.1072% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  13.75 +/- 2.47 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.69 A violated in 20 structures by 10.06 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.52, residual support = 60.6:
      O   HN    LEU   67 - HB3   LEU   67   3.14 +/- 0.63  92.999% * 99.4441% (0.54  10.0   4.52  60.56) =  99.993%  kept
          HD2   HIS   22 - HB3   LEU   67  16.45 +/- 2.59   1.377% *  0.1722% (0.93   1.0   0.02   0.02) =   0.003%
          HD21  ASN   35 - HB3   LEU   67  18.67 +/- 2.52   1.030% *  0.1524% (0.82   1.0   0.02   0.02) =   0.002%
          HD1   TRP   49 - HB3   LEU   67  20.02 +/- 4.16   0.728% *  0.1575% (0.85   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - HB3   LEU   67  11.76 +/- 2.90   2.623% *  0.0348% (0.19   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB3   LEU   67  16.08 +/- 2.36   1.243% *  0.0391% (0.21   1.0   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.02 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   2.63 +/- 0.23  98.852% * 99.8354% (0.38  10.0   5.07  60.56) =  99.998%  kept
          HA    ASP-  76 - HB2   LEU   67  14.47 +/- 2.55   1.148% *  0.1646% (0.63   1.0   0.02   0.02) =   0.002%
    Distance limit 3.81 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 = 3.28, residual support = 26.8:
          QE    PHE   72 - HB2   LEU   67   3.70 +/- 1.17  93.129% * 99.0893% (0.58   3.28  26.85) =  99.977%  kept
          QD    PHE   95 - HB2   LEU   67  11.61 +/- 2.67   5.630% *  0.2332% (0.22   0.02   0.02) =   0.014%
          HN    ALA   47 - HB2   LEU   67  17.41 +/- 3.31   1.241% *  0.6775% (0.65   0.02   0.02) =   0.009%
    Distance limit 3.75 A violated in 2 structures by 0.43 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.13, residual support = 60.6:
      O   HN    LEU   67 - HB2   LEU   67   3.43 +/- 0.52  89.020% * 99.6033% (0.70  10.0   5.13  60.56) =  99.994%  kept
          QE    PHE   95 - HB2   LEU   67  12.36 +/- 2.89   2.898% *  0.0626% (0.44   1.0   0.02   0.02) =   0.002%
          HD2   HIS   22 - HB2   LEU   67  16.65 +/- 2.58   1.346% *  0.0862% (0.61   1.0   0.02   0.02) =   0.001%
          HN    THR   23 - HB2   LEU   67  16.39 +/- 2.12   1.243% *  0.0668% (0.47   1.0   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU   67  20.62 +/- 4.37   0.818% *  0.0976% (0.69   1.0   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LEU   67  12.31 +/- 1.73   2.830% *  0.0181% (0.13   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   LEU   67  18.59 +/- 2.50   1.089% *  0.0424% (0.30   1.0   0.02   0.02) =   0.001%
          QD    PHE   55 - HB2   LEU   67  17.42 +/- 1.77   0.756% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.11, residual support = 26.8:
        T HZ    PHE   72 - HB2   LEU   67   5.09 +/- 1.15  94.789% * 99.9822% (0.63 10.00   3.11  26.85) =  99.999%  kept
          HZ2   TRP   27 - HB2   LEU   67  14.86 +/- 2.32   5.211% *  0.0178% (0.11  1.00   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 7 structures by 1.16 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 4.05, residual support = 61.4:
      O T HA    VAL   24 - HB    VAL   24   2.55 +/- 0.29  75.303% * 82.3820% (0.57  10.0 10.00   3.97  62.83) =  94.505%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.98 +/- 0.13  21.968% * 16.3856% (0.11  10.0  1.00   5.47  36.22) =   5.483%  kept
        T HA    VAL   24 - HB2   PRO   68  20.66 +/- 4.73   0.557% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.009%
          HA    LYS+  38 - HB2   PRO   68  15.16 +/- 3.10   1.361% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+  38 - HB    VAL   24  19.80 +/- 1.90   0.246% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  20.71 +/- 3.84   0.565% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.23, residual support = 62.8:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  93.953% * 98.0584% (0.63  10.0 10.00   3.23  62.83) =  99.989%  kept
        T QG1   VAL   24 - HB2   PRO   68  19.47 +/- 4.49   0.556% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.007%
          HG13  ILE  119 - HB2   PRO   68  14.38 +/- 3.80   1.196% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   PRO   68  17.60 +/- 3.95   0.972% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB    VAL   24  11.73 +/- 0.93   0.623% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.30 +/- 2.26   0.317% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24   9.60 +/- 0.90   1.122% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  19.01 +/- 2.66   0.165% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  21.49 +/- 4.53   0.194% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.27 +/- 2.89   0.588% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.13 +/- 2.40   0.185% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.66 +/- 3.72   0.130% *  0.0687% (0.44   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.353, support = 5.67, residual support = 30.6:
      O   HN    ASN   69 - HB2   PRO   68   3.43 +/- 0.77  43.896% * 66.9439% (0.34  10.0   5.84  31.17) =  77.520%  kept
          HN    GLU-  25 - HB    VAL   24   3.65 +/- 0.64  37.815% * 17.4402% (0.31   1.0   5.87  33.00) =  17.398%  kept
          HN    ASN   28 - HB    VAL   24   5.66 +/- 0.44  12.651% * 15.1874% (0.66   1.0   2.37  14.66) =   5.069%  kept
          HN    ASN   28 - HB2   PRO   68  20.35 +/- 4.68   1.353% *  0.1571% (0.81   1.0   0.02   0.02) =   0.006%
          HN    ASP-  44 - HB    VAL   24  12.08 +/- 3.10   2.492% *  0.0646% (0.33   1.0   0.02   0.02) =   0.004%
          HN    ASP-  44 - HB2   PRO   68  14.62 +/- 1.87   0.819% *  0.0793% (0.41   1.0   0.02   0.02) =   0.002%
          HN    GLU-  25 - HB2   PRO   68  23.35 +/- 4.98   0.470% *  0.0730% (0.37   1.0   0.02   0.02) =   0.001%
          HN    ASN   69 - HB    VAL   24  20.69 +/- 3.57   0.504% *  0.0545% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.38, residual support = 62.8:
      O   HN    VAL   24 - HB    VAL   24   2.52 +/- 0.26  99.406% * 99.8774% (0.33  10.0   4.38  62.83) =  99.999%  kept
          HN    VAL   24 - HB2   PRO   68  22.49 +/- 4.78   0.594% *  0.1226% (0.41   1.0   0.02   0.02) =   0.001%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.11, residual support = 36.2:
      O   HD3   PRO   68 - HG2   PRO   68   2.68 +/- 0.28  92.594% * 99.5120% (0.57  10.0   3.11  36.22) =  99.992%  kept
          HD2   ARG+  54 - HG2   PRO   68  20.08 +/- 7.15   3.934% *  0.1189% (0.69   1.0   0.02   0.02) =   0.005%
          QB    PHE   55 - HG2   PRO   68  17.38 +/- 4.20   1.145% *  0.0910% (0.52   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   68  13.77 +/- 3.09   1.596% *  0.0580% (0.33   1.0   0.02   0.02) =   0.001%
          HB3   CYS   53 - HG2   PRO   68  19.40 +/- 4.54   0.515% *  0.1168% (0.67   1.0   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   PRO   68  22.15 +/- 2.92   0.216% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 36.2:
      O   HD2   PRO   68 - HG2   PRO   68   2.50 +/- 0.27  96.116% * 99.8205% (0.63  10.0   2.91  36.22) =  99.998%  kept
          HA    ALA   61 - HG2   PRO   68  11.65 +/- 2.12   1.591% *  0.0826% (0.52   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HG2   PRO   68  20.46 +/- 4.48   0.951% *  0.0656% (0.42   1.0   0.02   0.02) =   0.001%
          HA    LYS+  38 - HG2   PRO   68  15.78 +/- 2.92   0.732% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  16.27 +/- 3.36   0.611% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.704, support = 4.84, residual support = 64.9:
      O   HD3   PRO   68 - HG3   PRO   68   2.51 +/- 0.29  43.094% * 69.3876% (0.84  10.0  1.00   4.84  36.22) =  76.996%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.63 +/- 0.26  38.128% * 22.1181% (0.27  10.0 10.00   4.90 169.89) =  21.715%  kept
          QB    PHE   55 - HG2   ARG+  54   5.00 +/- 1.59  11.636% *  3.0303% (0.20   1.0  1.00   3.58   4.18) =   0.908%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.32 +/- 0.72   3.246% *  4.3292% (0.26   1.0  1.00   3.98  31.86) =   0.362%  kept
        T HD2   ARG+  54 - HG3   PRO   68  20.20 +/- 7.45   0.813% *  0.8289% (1.00   1.0 10.00   0.02   0.02) =   0.017%
          HB2   PHE   59 - HG3   PRO   68  13.87 +/- 3.14   0.509% *  0.0404% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HG3   PRO   68  17.47 +/- 4.18   0.281% *  0.0635% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54  13.29 +/- 3.89   0.899% *  0.0192% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  19.51 +/- 4.42   0.158% *  0.0814% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  18.68 +/- 5.61   0.437% *  0.0185% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.55 +/- 1.64   0.726% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  22.15 +/- 2.75   0.073% *  0.0721% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 36.2:
      O   HD2   PRO   68 - HG3   PRO   68   2.68 +/- 0.28  88.761% * 99.5569% (0.92  10.0  1.00   4.62  36.22) =  99.995%  kept
        T HA    LYS+  38 - HG3   PRO   68  15.52 +/- 2.98   0.870% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   61 - HG3   PRO   68  11.79 +/- 2.01   1.713% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.002%
          HD2   PRO   68 - HG2   ARG+  54  18.83 +/- 5.62   1.596% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  20.43 +/- 4.53   0.603% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  12.37 +/- 2.33   1.407% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.73 +/- 1.66   3.630% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.17 +/- 4.68   0.649% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  16.45 +/- 3.23   0.670% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  29.19 +/- 4.26   0.102% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.21, residual support = 36.2:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  87.985% * 98.5022% (0.98  10.0 10.00   5.21  36.22) =  99.997%  kept
        T HD3   PRO   93 - HD2   PRO   68  20.85 +/- 2.83   0.063% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HD3   PRO   58   4.88 +/- 1.08   6.392% *  0.0070% (0.07   1.0  1.00   0.02  39.45) =   0.001%
          HB2   PHE   59 - HD2   PRO   68  12.82 +/- 2.68   0.393% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  14.76 +/- 4.42   0.452% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  19.51 +/- 6.30   0.421% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  16.75 +/- 3.32   0.198% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  15.38 +/- 2.60   0.183% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   6.95 +/- 1.09   1.791% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  18.38 +/- 3.92   0.133% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.85 +/- 2.37   1.208% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   9.33 +/- 1.68   0.781% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.21, residual support = 36.2:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  97.751% * 99.4504% (0.92  10.0 10.00   5.21  36.22) =  99.999%  kept
          HA    ALA   61 - HD3   PRO   68  10.12 +/- 1.67   0.677% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   58 - HD3   PRO   68  15.38 +/- 2.60   0.204% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  14.76 +/- 4.42   0.502% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  20.85 +/- 2.83   0.069% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  19.15 +/- 3.55   0.188% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.00 +/- 3.31   0.271% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.48 +/- 2.35   0.208% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  18.65 +/- 2.96   0.105% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.80 +/- 1.29   0.025% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.25, residual support = 19.9:
      O   HA    LEU   67 - HD3   PRO   68   2.43 +/- 0.46  97.139% * 99.7870% (0.53  10.0   5.25  19.91) =  99.998%  kept
          HA    ASP-  76 - HD3   PRO   68  16.50 +/- 2.20   0.569% *  0.1645% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   93  11.73 +/- 4.03   2.051% *  0.0302% (0.16   1.0   0.02   0.02) =   0.001%
          HA    LEU   67 - HD3   PRO   93  19.62 +/- 2.41   0.241% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 19.9:
      O   HA    LEU   67 - HD2   PRO   68   2.52 +/- 0.45  98.345% * 99.8155% (0.53  10.0   4.53  19.91) =  99.999%  kept
          HA    ASP-  76 - HD2   PRO   68  16.54 +/- 2.06   0.531% *  0.1646% (0.87   1.0   0.02   0.02) =   0.001%
          HA    ASP-  76 - HD3   PRO   58  17.43 +/- 4.43   0.529% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  14.96 +/- 2.10   0.595% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 61.0:
      O   HD21  ASN   69 - HB2   ASN   69   3.06 +/- 0.57  92.658% * 99.5864% (0.65  10.0   3.62  60.99) =  99.991%  kept
          HN    GLN   17 - HB2   ASN   69  11.61 +/- 3.95   5.328% *  0.1286% (0.84   1.0   0.02   0.02) =   0.007%
          HN    ALA   61 - HB2   ASN   69  15.28 +/- 1.35   1.043% *  0.0475% (0.31   1.0   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB2   ASN   69  20.42 +/- 2.65   0.467% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  23.11 +/- 2.46   0.300% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  25.37 +/- 1.68   0.205% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.37, residual support = 61.0:
      O   HN    ASN   69 - HB2   ASN   69   3.44 +/- 0.51  97.119% * 99.9414% (0.97  10.0   5.37  60.99) =  99.999%  kept
          HN    ASN   28 - HB2   ASN   69  19.59 +/- 3.42   1.107% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB2   ASN   69  14.82 +/- 2.85   1.774% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.59, residual support = 61.0:
      O   HD21  ASN   69 - HB3   ASN   69   2.77 +/- 0.57  95.092% * 99.7810% (0.99  10.0   3.59  60.99) =  99.995%  kept
          HN    GLN   17 - HB3   ASN   69  11.63 +/- 3.60   4.297% *  0.0987% (0.98   1.0   0.02   0.02) =   0.004%
          HN    TRP   87 - HB3   ASN   69  22.82 +/- 2.30   0.236% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  20.14 +/- 2.52   0.375% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 61.0:
      O   HN    ASN   69 - HB3   ASN   69   3.19 +/- 0.57  97.318% * 99.9414% (0.97  10.0   4.86  60.99) =  99.999%  kept
          HN    ASN   28 - HB3   ASN   69  19.56 +/- 3.23   1.060% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   ASN   69  15.01 +/- 3.08   1.621% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.37, residual support = 60.8:
          HD21  ASN   69 - HA    ASN   69   3.70 +/- 0.67  78.566% * 90.6405% (0.20   3.38  60.99) =  99.668%  kept
          HN    GLN   17 - HA    ASN   69   9.87 +/- 4.27  15.825% *  0.9235% (0.34   0.02   0.02) =   0.205%  kept
          HN    ALA   61 - HA    ASN   69  14.46 +/- 1.22   1.741% *  2.1679% (0.80   0.02   0.02) =   0.053%
          HN    TRP   27 - HA    ASN   69  17.92 +/- 2.92   2.211% *  1.0161% (0.38   0.02   0.02) =   0.031%
          HE3   TRP   87 - HA    ASN   69  19.95 +/- 2.56   0.762% *  2.6834% (0.99   0.02   0.02) =   0.029%
          HN    ALA   91 - HA    ASN   69  24.64 +/- 1.93   0.356% *  1.9659% (0.73   0.02   0.02) =   0.010%
          HN    TRP   87 - HA    ASN   69  22.36 +/- 2.52   0.538% *  0.6028% (0.22   0.02   0.02) =   0.005%
    Distance limit 3.82 A violated in 0 structures by 0.15 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  12.93 +/- 2.63 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.62 A violated in 19 structures by 9.32 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.398, support = 0.0199, residual support = 0.0199:
        T QB    ALA   88 - HB2   SER   82   9.87 +/- 1.65   9.845% * 37.0886% (0.42 10.00   0.02   0.02) =  55.396%  kept
        T QB    ALA   88 - HA    SER   48  14.97 +/- 3.44   5.201% * 17.4364% (0.20 10.00   0.02   0.02) =  13.759%  kept
          QG2   THR   77 - HB2   SER   82   9.58 +/- 1.81   9.637% *  4.2379% (0.48  1.00   0.02   0.02) =   6.196%  kept
          QG2   THR   77 - HA    SER   48   7.96 +/- 2.41  19.413% *  1.9923% (0.23  1.00   0.02   0.02) =   5.868%  kept
          HG2   LYS+  99 - HA    VAL   70  10.73 +/- 2.40   8.207% *  3.6274% (0.41  1.00   0.02   0.02) =   4.516%  kept
          QG2   THR   77 - HA    VAL   70  14.90 +/- 1.60   2.878% *  8.7452% (0.99  1.00   0.02   0.02) =   3.818%  kept
          HG2   LYS+  38 - HA    VAL   70  12.25 +/- 1.56   5.102% *  4.6421% (0.53  1.00   0.02   0.02) =   3.593%  kept
          QG2   THR   23 - HB2   SER   82  12.39 +/- 5.62  11.232% *  0.9519% (0.11  1.00   0.02   0.02) =   1.622%  kept
          QB    ALA   88 - HA    VAL   70  18.96 +/- 1.15   1.257% *  7.6536% (0.87  1.00   0.02   0.02) =   1.459%  kept
          HB2   LEU   31 - HA    VAL   70  13.47 +/- 2.34   4.082% *  1.3614% (0.15  1.00   0.02   0.02) =   0.843%  kept
          QG2   THR   23 - HA    VAL   70  16.44 +/- 1.32   1.915% *  1.9644% (0.22  1.00   0.02   0.02) =   0.571%  kept
          QG2   THR   23 - HA    SER   48  15.14 +/- 4.96   7.970% *  0.4475% (0.05  1.00   0.02   0.02) =   0.541%  kept
          HG2   LYS+ 111 - HA    VAL   70  21.95 +/- 4.07   1.741% *  1.7461% (0.20  1.00   0.02   0.02) =   0.461%  kept
          HB2   LEU   31 - HB2   SER   82  14.25 +/- 4.72   4.228% *  0.6597% (0.07  1.00   0.02   0.02) =   0.423%  kept
          HG2   LYS+  38 - HB2   SER   82  24.02 +/- 3.66   0.724% *  2.2495% (0.25  1.00   0.02   0.02) =   0.247%  kept
          HG2   LYS+  99 - HB2   SER   82  22.08 +/- 3.10   0.905% *  1.7578% (0.20  1.00   0.02   0.02) =   0.241%  kept
          HG2   LYS+ 111 - HA    SER   48  16.85 +/- 3.78   3.009% *  0.3978% (0.05  1.00   0.02   0.02) =   0.182%  kept
          HG2   LYS+  99 - HA    SER   48  26.09 +/- 2.57   0.639% *  0.8264% (0.09  1.00   0.02   0.02) =   0.080%
          HG2   LYS+ 111 - HB2   SER   82  25.44 +/- 2.83   0.555% *  0.8462% (0.10  1.00   0.02   0.02) =   0.071%
          HG2   LYS+  38 - HA    SER   48  28.74 +/- 2.59   0.378% *  1.0576% (0.12  1.00   0.02   0.02) =   0.061%
          HB2   LEU   31 - HA    SER   48  21.52 +/- 3.89   1.084% *  0.3102% (0.04  1.00   0.02   0.02) =   0.051%
    Distance limit 3.52 A violated in 17 structures by 2.60 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.69, residual support = 34.4:
      O   HN    LEU   71 - HA    VAL   70   2.23 +/- 0.07  96.435% * 99.7573% (0.87  10.0   5.69  34.42) =  99.999%  kept
          HN    THR   26 - HB2   SER   82  13.53 +/- 6.20   1.032% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  18.83 +/- 3.46   0.241% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  20.73 +/- 2.58   0.167% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.73 +/- 1.53   0.221% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  16.55 +/- 3.37   0.375% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  19.50 +/- 2.87   0.192% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  17.10 +/- 2.84   0.335% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.84 +/- 5.49   0.579% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  25.31 +/- 1.83   0.072% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  16.69 +/- 2.10   0.281% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  25.32 +/- 1.73   0.071% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.901, support = 3.37, residual support = 45.2:
        T HZ    PHE   72 - HB    VAL   70   4.70 +/- 1.12  23.325% * 92.7784% (1.00 10.00   3.30  45.40) =  86.076%  kept
          QD    PHE   72 - HB    VAL   70   2.91 +/- 0.71  59.619% *  5.6883% (0.31  1.00   3.96  45.40) =  13.489%  kept
        T HZ    PHE   72 - QG    GLN   17   9.62 +/- 3.63   7.206% *  1.5086% (0.19 10.00   0.18   0.02) =   0.432%  kept
          QD    PHE   72 - QG    GLN   17   8.18 +/- 2.80   7.971% *  0.0053% (0.06  1.00   0.02   0.02) =   0.002%
          QE    PHE   45 - HB    VAL   70  11.86 +/- 1.26   1.192% *  0.0163% (0.18  1.00   0.02   0.02) =   0.001%
          QE    PHE   45 - QG    GLN   17  15.88 +/- 3.48   0.687% *  0.0030% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.38, residual support = 45.3:
          QE    PHE   72 - HB    VAL   70   2.61 +/- 0.95  77.995% * 97.8102% (0.73   4.40  45.40) =  99.704%  kept
          QE    PHE   72 - QG    GLN   17   8.28 +/- 3.16  17.656% *  1.2299% (0.13   0.30   0.02) =   0.284%  kept
          QD    PHE   95 - HB    VAL   70  10.08 +/- 1.81   2.482% *  0.2300% (0.38   0.02   0.02) =   0.007%
          HN    ALA   47 - HB    VAL   70  16.58 +/- 1.79   0.450% *  0.5796% (0.95   0.02   0.02) =   0.003%
          HN    ALA   47 - QG    GLN   17  18.06 +/- 4.42   0.623% *  0.1077% (0.18   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  15.12 +/- 2.50   0.795% *  0.0427% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 81.9:
      O   HN    VAL   70 - HB    VAL   70   2.71 +/- 0.46  87.631% * 99.9336% (0.76  10.0   4.63  81.95) =  99.997%  kept
          HN    VAL   70 - QG    GLN   17   9.08 +/- 3.52  11.316% *  0.0186% (0.14   1.0   0.02   0.02) =   0.002%
          HN    GLU-  79 - HB    VAL   70  17.63 +/- 1.67   0.441% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.62 +/- 4.20   0.611% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.13, residual support = 81.9:
          HN    VAL   70 - QG1   VAL   70   2.55 +/- 0.55  97.659% * 98.3779% (0.28   5.13  81.95) =  99.982%  kept
          HN    GLU-  79 - QG1   VAL   70  15.53 +/- 1.68   0.870% *  1.1044% (0.80   0.02   0.02) =   0.010%
          HN    THR   94 - QG1   VAL   70  12.16 +/- 1.36   1.471% *  0.5177% (0.38   0.02   0.02) =   0.008%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.364, support = 1.51, residual support = 0.606:
          HN    VAL   42 - QG2   VAL   70   3.97 +/- 1.16  55.592% * 31.5161% (0.35   1.27   0.60) =  52.455%  kept
          HN    LEU   73 - QG2   VAL   70   6.06 +/- 0.75  24.034% * 52.6557% (0.35   2.12   0.76) =  37.889%  kept
          HN    ILE   19 - QG2   VAL   70   7.64 +/- 2.20  20.375% * 15.8283% (0.52   0.43   0.02) =   9.655%  kept
    Distance limit 3.85 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.466, support = 5.85, residual support = 34.5:
        T HG    LEU   40 - QG2   VAL   70   3.20 +/- 0.89  31.490% * 47.3733% (0.54 10.00   6.56  35.94) =  76.020%  kept
        T HB3   LEU   40 - QG2   VAL   70   3.79 +/- 0.73  19.995% * 19.5191% (0.22 10.00   3.99  35.94) =  19.889%  kept
        T HG    LEU   73 - QG2   VAL   70   8.39 +/- 0.92   1.945% * 30.7142% (0.35 10.00   2.38   0.76) =   3.044%  kept
          HG    LEU   67 - QG2   VAL   70   5.02 +/- 1.52  14.026% *  1.2650% (0.53  1.00   0.54   0.02) =   0.904%  kept
          QG    LYS+  66 - QG2   VAL   70   7.46 +/- 1.19   4.515% *  0.2591% (0.24  1.00   0.24   0.02) =   0.060%
        T HB3   LEU  115 - QG2   VAL   70  10.36 +/- 2.29   1.844% *  0.4737% (0.54 10.00   0.02   0.02) =   0.045%
        T HG    LEU  115 - QG2   VAL   70  11.10 +/- 2.13   1.360% *  0.3071% (0.35 10.00   0.02   0.02) =   0.021%
          HB3   LEU   67 - QG2   VAL   70   4.51 +/- 1.37  18.140% *  0.0132% (0.15  1.00   0.02   0.02) =   0.012%
          QB    ALA  120 - QG2   VAL   70  11.28 +/- 3.19   1.652% *  0.0307% (0.35  1.00   0.02   0.02) =   0.003%
          QB    ALA   61 - QG2   VAL   70   7.86 +/- 1.59   4.498% *  0.0083% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - QG2   VAL   70  12.77 +/- 2.11   0.535% *  0.0363% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.413, support = 3.91, residual support = 45.4:
        T QD    PHE   72 - QG2   VAL   70   2.28 +/- 0.59  74.983% * 55.2900% (0.43 10.00   3.73  45.40) =  80.384%  kept
        T HZ    PHE   72 - QG2   VAL   70   4.29 +/- 0.65  22.646% * 44.6681% (0.35 10.00   4.63  45.40) =  19.614%  kept
          QE    PHE   45 - QG2   VAL   70   9.01 +/- 1.14   2.371% *  0.0419% (0.33  1.00   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.31, residual support = 45.4:
          QE    PHE   72 - QG2   VAL   70   2.84 +/- 0.53  96.294% * 99.6743% (0.54   5.31  45.40) =  99.994%  kept
          HD22  ASN   28 - QG2   VAL   70  12.00 +/- 1.61   2.518% *  0.1281% (0.18   0.02   0.02) =   0.003%
          HN    ALA   47 - QG2   VAL   70  13.69 +/- 1.12   1.188% *  0.1976% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.43, residual support = 34.4:
          HN    LEU   71 - QG2   VAL   70   2.92 +/- 0.51  87.661% * 99.3841% (0.51   6.43  34.42) =  99.983%  kept
          HN    GLU- 114 - QG2   VAL   70  14.02 +/- 2.47   1.779% *  0.3090% (0.51   0.02   0.02) =   0.006%
          HN    GLN  116 - QG2   VAL   70  12.19 +/- 2.46   2.317% *  0.1719% (0.28   0.02   0.02) =   0.005%
          HN    THR  118 - QG2   VAL   70  11.28 +/- 3.22   4.038% *  0.0908% (0.15   0.02   0.02) =   0.004%
          HN    PHE   60 - QG2   VAL   70   8.98 +/- 1.85   4.205% *  0.0442% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.25 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 = 0.687, support = 2.88, residual support = 45.4:
        T HZ    PHE   72 - QG1   VAL   70   4.78 +/- 1.03  35.097% * 83.1085% (0.65 10.00   2.75  45.40) =  73.879%  kept
          QD    PHE   72 - QG1   VAL   70   3.72 +/- 0.70  61.320% * 16.8135% (0.80  1.00   3.27  45.40) =  26.114%  kept
          QE    PHE   45 - QG1   VAL   70  10.32 +/- 1.25   3.582% *  0.0779% (0.61  1.00   0.02   0.02) =   0.007%
    Distance limit 3.85 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 0.981, residual support = 3.09:
          HA    VAL   41 - HB2   LEU   71   5.90 +/- 1.34  72.519% * 96.8204% (0.92   0.99   3.11) =  99.514%  kept
          HA    HIS  122 - HB2   LEU   71  16.01 +/- 6.11  11.274% *  2.0530% (0.97   0.02   0.02) =   0.328%  kept
          HA    PHE   45 - HB2   LEU   71  14.83 +/- 2.68  12.427% *  0.7984% (0.38   0.02   0.02) =   0.141%  kept
          HA    MET   92 - HB2   LEU   71  20.78 +/- 3.20   3.780% *  0.3282% (0.15   0.02   0.02) =   0.018%
    Distance limit 3.67 A violated in 14 structures by 2.19 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.36, residual support = 137.8:
      O   HN    LEU   71 - HB2   LEU   71   2.70 +/- 0.52  89.402% * 99.8011% (0.95  10.0   6.36 137.77) =  99.995%  kept
          HN    GLU- 114 - HB2   LEU   71  20.45 +/- 5.38   1.858% *  0.0998% (0.95   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - HB2   LEU   71  18.44 +/- 5.06   3.134% *  0.0555% (0.53   1.0   0.02   0.02) =   0.002%
          HN    THR  118 - HB2   LEU   71  17.33 +/- 5.53   3.236% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB2   LEU   71  14.41 +/- 2.89   2.370% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.28, residual support = 137.8:
      O   HN    LEU   71 - HB3   LEU   71   3.19 +/- 0.57  94.390% * 99.8011% (0.95  10.0   6.28 137.77) =  99.998%  kept
          HN    GLU- 114 - HB3   LEU   71  20.97 +/- 5.35   0.775% *  0.0998% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN  116 - HB3   LEU   71  18.87 +/- 5.17   1.374% *  0.0555% (0.53   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HB3   LEU   71  17.80 +/- 5.61   1.648% *  0.0293% (0.28   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HB3   LEU   71  14.55 +/- 3.14   1.813% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 137.8:
      O   HB2   LEU   71 - HG    LEU   71   2.58 +/- 0.23  68.939% * 99.3720% (0.97  10.0   4.93 137.77) =  99.989%  kept
          HB3   GLN   17 - HG    LEU   71  10.46 +/- 3.85   3.132% *  0.0501% (0.49   1.0   0.02   0.02) =   0.002%
          HB    VAL   41 - HG    LEU   71   9.25 +/- 1.93   2.653% *  0.0501% (0.49   1.0   0.02   3.11) =   0.002%
          QB    LYS+  65 - HG    LEU   71  11.92 +/- 1.35   0.892% *  0.1009% (0.98   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HG    LEU   71  11.20 +/- 1.52   1.235% *  0.0707% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG13  ILE   19   8.59 +/- 3.43   5.052% *  0.0142% (0.14   1.0   0.02   0.40) =   0.001%
          QB    LYS+ 102 - HG    LEU   71  14.69 +/- 2.49   0.586% *  0.1030% (1.00   1.0   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.32 +/- 1.57   8.215% *  0.0072% (0.07   1.0   0.02   0.02) =   0.001%
          HG12  ILE  103 - HG    LEU   71  14.13 +/- 2.69   0.706% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.11 +/- 4.05   0.248% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  10.44 +/- 2.32   1.583% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  11.71 +/- 4.16   1.984% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  18.64 +/- 6.43   0.817% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.35 +/- 2.07   1.191% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  23.32 +/- 4.87   0.267% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.48 +/- 3.80   0.265% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.56 +/- 5.32   1.686% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  22.02 +/- 3.05   0.145% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.07 +/- 3.27   0.253% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.41 +/- 3.39   0.152% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.77, residual support = 137.7:
          HN    LEU   71 - QD2   LEU   71   3.62 +/- 0.79  84.632% * 99.7039% (0.87   6.77 137.77) =  99.983%  kept
          HN    GLU- 114 - QD2   LEU   71  17.48 +/- 4.96   4.822% *  0.1654% (0.49   0.02   0.02) =   0.009%
          HN    GLN  116 - QD2   LEU   71  15.72 +/- 4.83   7.480% *  0.0460% (0.14   0.02   0.02) =   0.004%
          HN    THR   26 - QD2   LEU   71  13.07 +/- 1.68   3.066% *  0.0847% (0.25   0.02   0.02) =   0.003%
    Distance limit 3.91 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.23, residual support = 19.2:
          HN    PHE   72 - QD2   LEU   71   3.65 +/- 0.49  90.900% * 99.5625% (0.73   5.24  19.23) =  99.956%  kept
          HN    LEU  104 - QD2   LEU   71  12.24 +/- 2.69   9.100% *  0.4375% (0.84   0.02   0.02) =   0.044%
    Distance limit 3.34 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.611, support = 5.43, residual support = 43.3:
      O   HN    LEU   73 - HA    PHE   72   2.57 +/- 0.20  65.734% * 93.0642% (0.61  10.0   5.52  44.16) =  97.928%  kept
          HN    VAL   42 - HA    PHE   72   4.81 +/- 1.50  20.225% *  5.5108% (0.61   1.0   1.18   4.31) =   1.784%  kept
          HN    ILE   19 - HA    PHE   72   5.92 +/- 3.22  13.445% *  1.3319% (0.13   1.0   1.31   1.14) =   0.287%  kept
          HN    LYS+ 106 - HA    PHE   72  15.15 +/- 2.29   0.596% *  0.0931% (0.61   1.0   0.02   0.02) =   0.001%
    Distance limit 2.73 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.04, residual support = 90.1:
      O   HN    PHE   72 - HA    PHE   72   2.91 +/- 0.02  98.747% * 99.9786% (0.71  10.0   5.04  90.10) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.92 +/- 1.12   1.253% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.443, support = 1.97, residual support = 29.1:
          HG    LEU   73 - HA    PHE   72   5.25 +/- 0.71  24.233% * 48.9049% (0.37   2.67  44.16) =  62.822%  kept
          HG12  ILE   19 - HA    PHE   72   6.22 +/- 3.38  29.340% * 11.9460% (0.74   0.33   1.14) =  18.580%  kept
          HB3   LYS+  74 - HA    PHE   72   7.98 +/- 1.26  11.233% * 23.9577% (0.31   1.55   1.31) =  14.266%  kept
          HB3   LEU   67 - HA    PHE   72   8.39 +/- 1.86   6.000% * 11.2190% (0.66   0.34  26.85) =   3.568%  kept
          QB    ALA   61 - HA    PHE   72   9.35 +/- 1.79   7.779% *  0.7276% (0.74   0.02   0.02) =   0.300%  kept
          HD3   LYS+ 121 - HA    PHE   72  17.58 +/- 4.41   7.972% *  0.3380% (0.34   0.02   0.02) =   0.143%  kept
          HG    LEU   80 - HA    PHE   72  12.56 +/- 2.67   2.756% *  0.7522% (0.76   0.02   0.02) =   0.110%  kept
          QG    LYS+  66 - HA    PHE   72  11.46 +/- 1.32   2.623% *  0.5179% (0.52   0.02   0.61) =   0.072%
          QB    ALA  110 - HA    PHE   72  17.77 +/- 3.52   1.216% *  0.7472% (0.76   0.02   0.02) =   0.048%
          HB2   LEU   80 - HA    PHE   72  13.13 +/- 2.34   1.821% *  0.4573% (0.46   0.02   0.02) =   0.044%
          QB    LEU   98 - HA    PHE   72   9.38 +/- 1.66   4.077% *  0.1492% (0.15   0.02   0.02) =   0.032%
          HG2   LYS+ 102 - HA    PHE   72  16.51 +/- 2.79   0.950% *  0.2830% (0.29   0.02   0.02) =   0.014%
    Distance limit 3.52 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.817, support = 5.58, residual support = 44.1:
          QD2   LEU   73 - HB2   PHE   72   3.47 +/- 0.56  50.243% * 98.7585% (0.82   5.59  44.16) =  99.776%  kept
          QG1   VAL   43 - HB2   PHE   72   6.71 +/- 2.36  17.490% *  0.2857% (0.17   0.08   0.02) =   0.100%  kept
          QG1   VAL   41 - HB2   PHE   72   6.54 +/- 2.57  20.115% *  0.1230% (0.28   0.02   0.02) =   0.050%
          HG    LEU   31 - HB2   PHE   72   8.74 +/- 2.76   5.857% *  0.3233% (0.75   0.02   0.02) =   0.038%
          QD1   ILE   56 - HB2   PHE   72  11.51 +/- 2.37   4.145% *  0.3479% (0.81   0.02   0.02) =   0.029%
          HG3   LYS+ 121 - HB2   PHE   72  17.09 +/- 3.73   2.150% *  0.1616% (0.37   0.02   0.02) =   0.007%
    Distance limit 3.72 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.2, residual support = 46.6:
        T QB    ALA   64 - HB2   PHE   72   3.79 +/- 1.00  97.204% * 99.9825% (0.84 10.00   3.20  46.61) =  99.999%  kept
          QB    ALA   47 - HB2   PHE   72  13.88 +/- 1.25   2.796% *  0.0175% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.47 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.716, support = 6.01, residual support = 43.1:
          QD2   LEU   73 - HB3   PHE   72   4.20 +/- 0.50  31.349% * 95.3174% (0.72   6.15  44.16) =  97.607%  kept
          QG2   VAL   18 - HB3   PHE   72   6.74 +/- 2.51  17.689% *  2.8203% (0.33   0.41   0.56) =   1.630%  kept
          QG1   VAL   43 - HB3   PHE   72   7.21 +/- 2.34  15.035% *  0.9011% (0.53   0.08   0.02) =   0.443%  kept
          QG1   VAL   41 - HB3   PHE   72   6.35 +/- 2.68  23.539% *  0.2971% (0.69   0.02   0.02) =   0.228%  kept
          HG    LEU   31 - HB3   PHE   72   9.40 +/- 2.81   4.118% *  0.3509% (0.82   0.02   0.02) =   0.047%
          QD1   ILE   56 - HB3   PHE   72  11.58 +/- 2.59   4.843% *  0.2100% (0.49   0.02   0.02) =   0.033%
          QG2   THR   46 - HB3   PHE   72   9.78 +/- 1.31   3.426% *  0.1031% (0.24   0.02   0.02) =   0.012%
    Distance limit 3.59 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.57, residual support = 46.6:
        T QB    ALA   64 - HB3   PHE   72   4.02 +/- 0.96  84.995% * 99.8629% (0.63 10.00   3.57  46.61) =  99.976%  kept
          QD1   LEU  115 - HB3   PHE   72  10.72 +/- 3.14  15.005% *  0.1371% (0.19  1.00   0.09   0.02) =   0.024%
    Distance limit 3.65 A violated in 4 structures by 0.61 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.557, support = 0.554, residual support = 10.1:
        T HA    VAL   18 - HB2   PHE   72   6.33 +/- 3.13  39.451% * 60.5970% (0.47 10.00   0.41   0.56) =  75.271%  kept
          HA    VAL   70 - HB2   PHE   72   6.83 +/- 0.63  24.467% * 27.6919% (0.82  1.00   1.09  45.40) =  21.333%  kept
          HA    GLN  116 - HB2   PHE   72  14.92 +/- 3.76   9.910% * 10.1922% (0.82  1.00   0.40   0.02) =   3.180%  kept
          HB2   SER   37 - HB2   PHE   72  11.72 +/- 2.32   8.474% *  0.3158% (0.51  1.00   0.02   0.02) =   0.084%
          HA    LYS+  33 - HB2   PHE   72  13.65 +/- 2.19   3.524% *  0.3979% (0.64  1.00   0.02   0.02) =   0.044%
          HA    GLU-  29 - HB2   PHE   72  13.47 +/- 2.34   3.939% *  0.3158% (0.51  1.00   0.02   0.02) =   0.039%
          HA1   GLY   16 - HB2   PHE   72  11.08 +/- 3.28   6.092% *  0.1448% (0.23  1.00   0.02   0.02) =   0.028%
          HB2   SER   82 - HB2   PHE   72  17.47 +/- 2.37   1.645% *  0.2534% (0.41  1.00   0.02   0.02) =   0.013%
          HA    SER   48 - HB2   PHE   72  15.60 +/- 2.62   2.498% *  0.0912% (0.15  1.00   0.02   0.02) =   0.007%
    Distance limit 3.76 A violated in 11 structures by 1.41 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.473, support = 0.943, residual support = 33.5:
          HA    VAL   70 - HB3   PHE   72   5.63 +/- 0.77  32.184% * 57.0654% (0.53  1.00   1.09  45.40) =  73.498%  kept
          HA    VAL   18 - HB3   PHE   72   6.46 +/- 3.33  30.953% * 11.3878% (0.15  1.00   0.75   0.56) =  14.106%  kept
          HA    GLN  116 - HB3   PHE   72  14.74 +/- 4.10  13.289% * 19.5699% (0.53  1.00   0.37   0.02) =  10.408%  kept
          HB2   SER   37 - HB3   PHE   72  11.11 +/- 2.56   9.333% *  1.6997% (0.85  1.00   0.02   0.02) =   0.635%  kept
        T HA    LYS+  33 - HB3   PHE   72  13.65 +/- 2.28   2.734% *  5.3519% (0.27 10.00   0.02   0.02) =   0.586%  kept
          HA1   GLY   16 - HB3   PHE   72  10.39 +/- 3.81   7.727% *  1.2591% (0.63  1.00   0.02   0.02) =   0.389%  kept
        T HA    GLU-  29 - HB3   PHE   72  14.06 +/- 2.33   2.682% *  3.4315% (0.17 10.00   0.02   0.02) =   0.368%  kept
          HB2   SER   82 - HB3   PHE   72  18.36 +/- 2.09   1.098% *  0.2347% (0.12  1.00   0.02   0.02) =   0.010%
    Distance limit 3.89 A violated in 1 structures by 0.86 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.863, support = 4.85, residual support = 90.1:
      O T QD    PHE   72 - HB3   PHE   72   2.43 +/- 0.10  91.445% * 94.5615% (0.87  10.0 10.00   4.86  90.10) =  99.631%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   6.651% *  4.5636% (0.27   1.0  1.00   3.12  90.10) =   0.350%  kept
        T QE    PHE   45 - HB3   PHE   72  10.16 +/- 1.72   1.904% *  0.8749% (0.80   1.0 10.00   0.02   0.02) =   0.019%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.831, support = 4.58, residual support = 90.1:
      O T QD    PHE   72 - HB2   PHE   72   2.44 +/- 0.16  91.288% * 95.5153% (0.83  10.0 10.00   4.58  90.10) =  99.654%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   6.853% *  4.3964% (0.26   1.0  1.00   2.98  90.10) =   0.344%  kept
          QE    PHE   45 - HB2   PHE   72   9.55 +/- 1.73   1.859% *  0.0884% (0.77   1.0  1.00   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.98, residual support = 90.1:
      O   HN    PHE   72 - HB2   PHE   72   3.65 +/- 0.28  97.049% * 99.9402% (0.79  10.0   4.98  90.10) =  99.998%  kept
          HN    LEU  104 - HB2   PHE   72  12.59 +/- 1.66   2.951% *  0.0598% (0.47   1.0   0.02   0.02) =   0.002%
    Distance limit 3.63 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.768, support = 0.02, residual support = 2.09:
          HG3   GLN   30 - HA    LEU   73   7.96 +/- 2.79  21.122% * 13.3017% (0.99   0.02   3.60) =  31.085%  kept
          HB2   GLN   30 - HA    LEU   73   7.69 +/- 2.84  22.423% * 10.7462% (0.80   0.02   3.60) =  26.660%  kept
          HB2   GLN   17 - HA    LEU   73  10.09 +/- 4.23  12.905% *  6.5324% (0.49   0.02   0.02) =   9.327%  kept
          HB3   PRO   68 - HA    LEU   73  13.90 +/- 1.79   5.143% * 11.6413% (0.87   0.02   0.02) =   6.624%  kept
          QB    GLU-  15 - HA    LEU   73  11.80 +/- 3.41   6.995% *  6.5324% (0.49   0.02   0.02) =   5.056%  kept
          HB    ILE  119 - HA    LEU   73  17.75 +/- 3.29   4.196% * 10.7462% (0.80   0.02   0.02) =   4.989%  kept
          HB2   PRO   93 - HA    LEU   73  14.53 +/- 3.58  10.539% *  2.9879% (0.22   0.02   0.02) =   3.484%  kept
          HB2   ARG+  54 - HA    LEU   73  17.43 +/- 3.51   4.540% *  6.5324% (0.49   0.02   0.02) =   3.281%  kept
          HB2   LYS+ 111 - HA    LEU   73  20.97 +/- 4.31   3.682% *  7.5980% (0.57   0.02   0.02) =   3.095%  kept
          HB    VAL  108 - HA    LEU   73  19.24 +/- 3.00   3.260% *  7.5980% (0.57   0.02   0.02) =   2.741%  kept
          HB3   GLU- 100 - HA    LEU   73  18.30 +/- 2.67   1.542% * 11.6413% (0.87   0.02   0.02) =   1.986%  kept
          HB3   GLU-  25 - HA    LEU   73  14.23 +/- 2.40   3.652% *  4.1422% (0.31   0.02   0.02) =   1.674%  kept
    Distance limit 3.78 A violated in 15 structures by 2.20 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.67, residual support = 41.4:
      O   HN    LYS+  74 - HA    LEU   73   2.59 +/- 0.21  96.222% * 99.6525% (0.69  10.0   5.67  41.36) =  99.997%  kept
          HN    THR   46 - HA    LEU   73  10.79 +/- 2.22   2.261% *  0.0403% (0.28   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HA    LEU   73  18.77 +/- 4.67   0.600% *  0.1448% (1.00   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HA    LEU   73  19.12 +/- 5.14   0.542% *  0.1400% (0.97   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LEU   73  17.66 +/- 2.58   0.375% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.785, support = 6.32, residual support = 168.6:
      O   HN    LEU   73 - HA    LEU   73   2.89 +/- 0.04  47.460% * 96.2452% (0.80  10.0   6.43 172.97) =  97.382%  kept
          HN    ILE   19 - HA    LEU   73   4.67 +/- 4.56  46.330% *  2.5048% (0.18   1.0   2.38   5.45) =   2.474%  kept
          HN    VAL   42 - HA    LEU   73   7.17 +/- 1.48   5.820% *  1.1537% (0.80   1.0   0.24   0.45) =   0.143%  kept
          HN    LYS+ 106 - HA    LEU   73  17.20 +/- 2.36   0.390% *  0.0962% (0.80   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 6.2, residual support = 172.7:
      O   HN    LEU   73 - HB2   LEU   73   3.35 +/- 0.50  86.714% * 98.5565% (0.38  10.0   6.21 172.97) =  99.825%  kept
          HN    VAL   42 - HB2   LEU   73   8.06 +/- 1.62  12.538% *  1.1814% (0.38   1.0   0.24   0.45) =   0.173%  kept
          HN    LYS+ 106 - HB2   LEU   73  17.59 +/- 2.23   0.749% *  0.2620% (1.00   1.0   0.02   0.02) =   0.002%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.983, support = 0.02, residual support = 0.248:
        T HA    HIS   22 - HB2   LEU   73   8.01 +/- 2.19  43.238% * 84.8829% (1.00 10.00   0.02   0.02) =  90.253%  kept
          HA    VAL   43 - HB2   LEU   73   7.24 +/- 2.20  49.837% *  6.7969% (0.80  1.00   0.02   2.76) =   8.330%  kept
          HA    ASN   69 - HB2   LEU   73  13.93 +/- 1.29   6.925% *  8.3202% (0.98  1.00   0.02   0.02) =   1.417%  kept
    Distance limit 3.99 A violated in 15 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.255, support = 5.4, residual support = 40.9:
          HN    LYS+  74 - HB3   LEU   73   3.58 +/- 0.68  91.375% * 79.5127% (0.25   5.46  41.36) =  98.772%  kept
          HN    LYS+ 112 - HB3   LEU   73  19.07 +/- 5.29   4.552% * 19.3454% (0.76   0.43   0.02) =   1.197%  kept
          HN    ASP-  78 - HB3   LEU   73  13.07 +/- 0.84   2.373% *  0.4803% (0.41   0.02   0.02) =   0.015%
          HN    MET   11 - HB3   LEU   73  19.54 +/- 4.97   1.700% *  0.6615% (0.57   0.02   0.02) =   0.015%
    Distance limit 4.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.694, support = 5.36, residual support = 154.9:
          HN    LEU   73 - HG    LEU   73   3.31 +/- 0.53  24.336% * 66.7709% (0.80   5.68 172.97) =  82.828%  kept
          HN    ILE   19 - HG12  ILE   19   2.72 +/- 0.75  39.326% *  4.4976% (0.06   5.35 126.21) =   9.016%  kept
          HN    ILE   19 - HG    LEU   73   6.96 +/- 3.68   8.385% *  7.3488% (0.18   2.86   5.45) =   3.141%  kept
          HN    VAL   42 - HG    LEU   40   4.92 +/- 0.87   9.074% *  5.1708% (0.15   2.36   1.96) =   2.392%  kept
          HN    VAL   42 - HG    LEU   73   7.56 +/- 2.07   2.917% * 12.2476% (0.80   1.04   0.45) =   1.821%  kept
          HN    LEU   73 - HG12  ILE   19   6.58 +/- 3.16   4.736% *  2.9756% (0.26   0.77   5.45) =   0.718%  kept
          HN    VAL   42 - HG    LEU   80  11.53 +/- 3.09   3.248% *  0.4181% (0.10   0.29   0.02) =   0.069%
          HN    VAL   42 - HG12  ILE   19   9.69 +/- 3.89   1.334% *  0.0768% (0.26   0.02   0.02) =   0.005%
          HN    LEU   73 - HG    LEU   40   9.12 +/- 1.40   1.125% *  0.0439% (0.15   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HG    LEU   73  17.15 +/- 2.35   0.204% *  0.2352% (0.80   0.02   0.02) =   0.002%
          HN    LEU   73 - HG    LEU   80  10.66 +/- 2.50   0.870% *  0.0286% (0.10   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  11.76 +/- 1.67   0.522% *  0.0439% (0.15   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU  115  14.63 +/- 4.36   1.579% *  0.0065% (0.02   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG12  ILE   19  20.60 +/- 2.09   0.085% *  0.0768% (0.26   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.58 +/- 2.31   0.588% *  0.0096% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  18.45 +/- 2.70   0.164% *  0.0286% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.03 +/- 1.57   0.602% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  14.11 +/- 5.64   0.391% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  14.54 +/- 2.35   0.338% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.16 +/- 2.49   0.176% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.129, support = 1.33, residual support = 1.41:
          HN    LEU   71 - HG    LEU   40   4.73 +/- 1.23  42.139% * 22.0612% (0.05   1.78   1.73) =  55.419%  kept
          HN    LEU   71 - HG    LEU   73   9.91 +/- 1.28   6.804% * 52.0182% (0.28   0.78   1.76) =  21.098%  kept
          HN    LEU   71 - HG12  ILE   19   8.81 +/- 3.15  17.781% * 19.0823% (0.09   0.88   0.40) =  20.227%  kept
          HN    THR   26 - HG    LEU   73   9.13 +/- 3.52  11.135% *  3.9940% (0.84   0.02   0.02) =   2.651%  kept
          HN    THR   26 - HG12  ILE   19  11.25 +/- 1.48   3.404% *  1.3044% (0.27   0.02   0.02) =   0.265%  kept
          HN    THR   26 - HG    LEU   80  10.34 +/- 5.67   8.932% *  0.4860% (0.10   0.02   0.02) =   0.259%  kept
          HN    THR   26 - HG    LEU   40  17.82 +/- 1.11   0.800% *  0.7446% (0.16   0.02   0.02) =   0.036%
          HN    LEU   71 - HG    LEU   80  15.86 +/- 3.58   3.110% *  0.1618% (0.03   0.02   0.02) =   0.030%
          HN    LEU   71 - HG    LEU  115  15.88 +/- 4.10   5.437% *  0.0369% (0.01   0.02   0.02) =   0.012%
          HN    THR   26 - HG    LEU  115  23.65 +/- 2.97   0.459% *  0.1107% (0.02   0.02   0.02) =   0.003%
    Distance limit 4.00 A violated in 1 structures by 0.54 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.95, residual support = 171.9:
          HN    LEU   73 - QD2   LEU   73   1.97 +/- 0.52  77.269% * 96.0979% (0.38   8.00 172.97) =  99.369%  kept
          HN    VAL   42 - QD2   LEU   73   5.29 +/- 1.84  15.865% *  2.8813% (0.38   0.24   0.45) =   0.612%  kept
          HN    LYS+ 106 - HG3   LYS+ 121  10.60 +/- 6.63   4.907% *  0.2179% (0.34   0.02   0.02) =   0.014%
          HN    LYS+ 106 - QD2   LEU   73  13.80 +/- 1.66   0.436% *  0.6390% (1.00   0.02   0.02) =   0.004%
          HN    VAL   42 - HG3   LYS+ 121  16.15 +/- 4.51   1.050% *  0.0820% (0.13   0.02   0.02) =   0.001%
          HN    LEU   73 - HG3   LYS+ 121  18.62 +/- 3.90   0.474% *  0.0820% (0.13   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.93, residual support = 41.3:
          HN    LYS+  74 - QD2   LEU   73   3.87 +/- 0.57  83.526% * 96.8330% (0.25   5.94  41.36) =  99.855%  kept
          HN    LYS+ 112 - QD2   LEU   73  16.01 +/- 3.96   7.404% *  1.0000% (0.76   0.02   0.02) =   0.091%
          HN    ASP-  78 - QD2   LEU   73  11.31 +/- 1.49   3.593% *  0.5379% (0.41   0.02   0.02) =   0.024%
          HN    MET   11 - QD2   LEU   73  16.62 +/- 3.88   2.304% *  0.7408% (0.57   0.02   0.02) =   0.021%
          HN    LYS+ 112 - HG3   LYS+ 121  16.46 +/- 1.16   1.291% *  0.3410% (0.26   0.02   0.02) =   0.005%
          HN    LYS+  74 - HG3   LYS+ 121  20.57 +/- 4.16   1.291% *  0.1113% (0.09   0.02   0.02) =   0.002%
          HN    ASP-  78 - HG3   LYS+ 121  24.83 +/- 3.06   0.417% *  0.1834% (0.14   0.02   0.02) =   0.001%
          HN    MET   11 - HG3   LYS+ 121  33.82 +/- 4.30   0.173% *  0.2526% (0.19   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.79, residual support = 186.6:
      O   HN    LYS+  74 - HB2   LYS+  74   2.93 +/- 0.45  92.744% * 98.7592% (0.20  10.0   5.79 186.67) =  99.967%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.24 +/- 0.95   2.807% *  0.7139% (0.33   1.0   0.09   0.02) =   0.022%
          HN    MET   11 - HB2   LYS+  74  19.53 +/- 6.11   3.647% *  0.2242% (0.45   1.0   0.02   0.02) =   0.009%
          HN    LYS+ 112 - HB2   LYS+  74  18.58 +/- 2.87   0.803% *  0.3027% (0.61   1.0   0.02   0.02) =   0.003%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.413, support = 4.47, residual support = 31.7:
          HN    VAL   75 - HB3   LYS+  74   4.46 +/- 0.17  80.981% * 95.5590% (0.41   4.49  31.83) =  99.621%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.35 +/- 0.99   6.841% *  3.9399% (0.87   0.09   0.02) =   0.347%  kept
          HN    MET   11 - HB3   LYS+  74  19.67 +/- 6.06  10.179% *  0.1814% (0.18   0.02   0.02) =   0.024%
          HN    LYS+ 112 - HB3   LYS+  74  18.72 +/- 3.12   1.999% *  0.3197% (0.31   0.02   0.02) =   0.008%
    Distance limit 3.74 A violated in 0 structures by 0.72 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.91, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   3.40 +/- 0.67  93.714% * 98.2151% (0.84   5.92  31.83) =  99.910%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.29 +/- 1.24   4.843% *  1.7078% (0.98   0.09   0.02) =   0.090%
          HN    VAL   75 - HG3   LYS+ 111  18.83 +/- 2.30   0.881% *  0.0355% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  20.64 +/- 2.83   0.562% *  0.0416% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.726, residual support = 0.725:
          QG1   VAL   75 - HA    THR   77   3.96 +/- 0.28  95.942% * 97.9120% (0.84   0.73   0.73) =  99.910%  kept
          QD1   LEU  115 - HA    THR   77  12.43 +/- 1.59   4.058% *  2.0880% (0.65   0.02   0.02) =   0.090%
    Distance limit 3.55 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 39.7:
      O   HN    ASP-  78 - HB3   ASP-  78   2.59 +/- 0.55  98.110% * 99.9053% (0.95  10.0   3.95  39.74) =  99.998%  kept
          HN    VAL   75 - HB3   ASP-  78  10.27 +/- 0.77   1.890% *  0.0947% (0.90   1.0   0.02   0.31) =   0.002%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.34, residual support = 39.7:
      O   HN    ASP-  78 - HB2   ASP-  78   2.68 +/- 0.45  98.028% * 99.9053% (0.95  10.0   5.34  39.74) =  99.998%  kept
          HN    VAL   75 - HB2   ASP-  78  10.18 +/- 0.71   1.972% *  0.0947% (0.90   1.0   0.02   0.31) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 56.6:
      O T HB3   GLU-  79 - HA    GLU-  79   2.66 +/- 0.17  97.571% * 99.1581% (1.00  10.0 10.00   4.40  56.64) =  99.993%  kept
        T HB2   GLN   90 - HA    GLU-  79  14.72 +/- 2.33   0.894% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          QB    GLU-  36 - HA    GLU-  79  20.94 +/- 3.58   0.350% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  17.67 +/- 4.37   0.420% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  17.01 +/- 4.47   0.485% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  24.73 +/- 4.66   0.279% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 56.6:
      O   QG    GLU-  79 - HB3   GLU-  79   2.45 +/- 0.12  96.640% * 99.5936% (0.98  10.0   3.65  56.64) =  99.999%  kept
          QG    GLN   32 - HB3   GLU-  79  17.53 +/- 4.53   0.611% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  22.79 +/- 4.40   0.329% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   GLN   90  14.54 +/- 1.99   0.611% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  19.11 +/- 3.30   0.374% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  23.84 +/- 2.48   0.120% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.36 +/- 1.98   0.224% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  15.26 +/- 1.61   0.505% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  20.98 +/- 2.12   0.187% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  24.19 +/- 2.85   0.115% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  19.58 +/- 1.21   0.203% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  26.76 +/- 1.52   0.080% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.885, support = 3.21, residual support = 11.2:
          HB2   ASP-  76 - HB3   GLU-  79   3.48 +/- 0.89  61.827% * 33.2349% (1.00  1.00   1.84   2.39) =  51.828%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.00 +/- 0.86  29.368% * 64.9582% (0.76  1.00   4.70  20.66) =  48.118%  kept
        T HB2   ASN   28 - HB3   GLU-  79  13.63 +/- 4.62   1.917% *  0.6337% (0.18 10.00   0.02   0.02) =   0.031%
          HB2   ASP-  78 - HB2   GLN   90  13.92 +/- 3.15   2.674% *  0.1027% (0.28  1.00   0.02   0.02) =   0.007%
          HB2   ASN   69 - HB3   GLU-  79  21.34 +/- 4.16   0.722% *  0.3492% (0.97  1.00   0.02   0.02) =   0.006%
          HB2   ASP-  76 - HB2   GLN   90  15.13 +/- 2.41   1.337% *  0.1341% (0.37  1.00   0.02   0.02) =   0.005%
        T HB2   ASN   28 - HB2   GLN   90  21.58 +/- 4.13   0.340% *  0.2354% (0.07 10.00   0.02   0.02) =   0.002%
          QE    LYS+  33 - HB3   GLU-  79  16.72 +/- 3.71   0.792% *  0.0902% (0.25  1.00   0.02   0.02) =   0.002%
          QE    LYS+  66 - HB3   GLU-  79  19.52 +/- 1.58   0.426% *  0.0716% (0.20  1.00   0.02   0.02) =   0.001%
          HB2   ASN   69 - HB2   GLN   90  27.94 +/- 1.99   0.166% *  0.1297% (0.36  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HB2   GLN   90  25.37 +/- 2.31   0.199% *  0.0335% (0.09  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  24.97 +/- 2.90   0.230% *  0.0266% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.39, residual support = 56.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.66 +/- 0.17  78.885% * 98.8585% (0.80  10.0 10.00   4.40  56.64) =  99.989%  kept
        T HA    GLU-  79 - HB2   GLN   90  14.72 +/- 2.33   0.719% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.003%
          HB    THR   77 - HB3   GLU-  79   8.12 +/- 0.69   3.070% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - HB2   GLN   90   9.32 +/- 3.22   5.386% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLN   90   7.58 +/- 1.31   4.987% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   GLU-  79  20.18 +/- 4.15   0.620% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HB3   GLU-  79  19.46 +/- 4.99   0.423% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  79  18.91 +/- 3.89   0.857% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB3   GLU-  79  12.25 +/- 1.63   1.412% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  19.67 +/- 4.19   0.327% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.29 +/- 1.62   0.973% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  19.05 +/- 3.74   0.341% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  21.13 +/- 3.71   0.259% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  24.91 +/- 7.59   0.391% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.70 +/- 1.62   0.758% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.43 +/- 1.65   0.227% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  26.17 +/- 2.71   0.098% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.50 +/- 1.93   0.079% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  23.33 +/- 1.91   0.128% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.40 +/- 6.89   0.060% *  0.0102% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 87.9:
      O T HA    GLN   90 - HB2   GLN   90   2.65 +/- 0.21  76.326% * 87.0266% (0.27  10.0 10.00   3.96  89.25) =  97.633%  kept
          HA    ALA   91 - HB2   GLN   90   4.69 +/- 0.51  16.448% *  9.4627% (0.18   1.0  1.00   3.24  32.52) =   2.288%  kept
        T HA    GLN   90 - HB3   GLU-  79  13.18 +/- 2.69   2.058% *  2.3422% (0.73   1.0 10.00   0.02   0.02) =   0.071%
          HA    ALA  110 - HB2   GLN   90  14.64 +/- 3.95   1.457% *  0.1001% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    TRP   27 - HB3   GLU-  79  11.56 +/- 4.51   1.383% *  0.0897% (0.28   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   91 - HB3   GLU-  79  15.18 +/- 3.08   0.711% *  0.1570% (0.49   1.0  1.00   0.02   0.02) =   0.002%
          HA    PHE   55 - HB3   GLU-  79  22.39 +/- 4.48   0.289% *  0.1697% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB2   GLN   90  15.54 +/- 2.05   0.605% *  0.0775% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  110 - HB3   GLU-  79  22.59 +/- 3.25   0.162% *  0.2694% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HB3   GLU-  79  20.94 +/- 2.01   0.185% *  0.2087% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    PHE   55 - HB2   GLN   90  21.88 +/- 3.44   0.184% *  0.0631% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  20.98 +/- 3.49   0.190% *  0.0333% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.95, residual support = 10.3:
          HB2   ASP-  76 - HB2   GLU-  79   3.11 +/- 1.02  69.539% * 31.7225% (1.00   1.67   2.39) =  56.829%  kept
          HB2   ASP-  78 - HB2   GLU-  79   5.16 +/- 0.67  24.750% * 67.6724% (0.76   4.65  20.66) =  43.149%  kept
          HB2   ASN   69 - HB2   GLU-  79  20.72 +/- 4.21   1.489% *  0.3679% (0.97   0.02   0.02) =   0.014%
          HB2   ASN   28 - HB2   GLU-  79  13.36 +/- 4.24   2.680% *  0.0668% (0.18   0.02   0.02) =   0.005%
          QE    LYS+  33 - HB2   GLU-  79  16.51 +/- 3.30   1.100% *  0.0951% (0.25   0.02   0.02) =   0.003%
          QE    LYS+  66 - HB2   GLU-  79  18.97 +/- 1.66   0.441% *  0.0754% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.68, residual support = 49.2:
          HN    LEU   80 - HB2   GLU-  79   2.98 +/- 0.32  93.949% * 98.5945% (0.61   5.68  49.19) =  99.978%  kept
          HN    SER   85 - HB2   GLU-  79  10.45 +/- 1.05   3.284% *  0.2786% (0.49   0.02   0.02) =   0.010%
          HN    GLN   32 - HB2   GLU-  79  15.95 +/- 4.26   1.019% *  0.4965% (0.87   0.02   0.02) =   0.005%
          HN    ALA   34 - HB2   GLU-  79  17.01 +/- 3.89   1.087% *  0.4156% (0.73   0.02   0.02) =   0.005%
          HN    CYS   53 - HB2   GLU-  79  18.06 +/- 4.02   0.661% *  0.2148% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.606, support = 5.86, residual support = 49.2:
          HN    LEU   80 - HB3   GLU-  79   3.29 +/- 0.85  77.607% * 98.0198% (0.61   5.87  49.19) =  99.935%  kept
          HN    SER   85 - HB3   GLU-  79  10.76 +/- 1.56   6.050% *  0.2682% (0.49   0.02   0.02) =   0.021%
          HN    ALA   34 - HB3   GLU-  79  17.34 +/- 4.29   2.517% *  0.4002% (0.73   0.02   0.02) =   0.013%
          HN    GLN   32 - HB3   GLU-  79  16.24 +/- 4.66   2.037% *  0.4780% (0.87   0.02   0.02) =   0.013%
          HN    SER   85 - HB2   GLN   90   8.79 +/- 1.36   7.170% *  0.0997% (0.18   0.02   0.02) =   0.009%
          HN    LEU   80 - HB2   GLN   90  13.03 +/- 2.12   1.976% *  0.1242% (0.23   0.02   0.02) =   0.003%
          HN    CYS   53 - HB3   GLU-  79  18.49 +/- 4.30   1.041% *  0.2068% (0.38   0.02   0.02) =   0.003%
          HN    CYS   53 - HB2   GLN   90  17.59 +/- 3.38   1.035% *  0.0768% (0.14   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  24.04 +/- 3.23   0.321% *  0.1776% (0.32   0.02   0.02) =   0.001%
          HN    ALA   34 - HB2   GLN   90  25.59 +/- 2.31   0.248% *  0.1487% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.58, residual support = 89.2:
      O   HN    GLN   90 - HB2   GLN   90   3.56 +/- 0.38  80.137% * 98.6230% (0.23  10.0   5.59  89.25) =  99.949%  kept
          HN    ILE  103 - HB3   GLU-  79  19.69 +/- 4.27   4.517% *  0.3504% (0.80   1.0   0.02   0.02) =   0.020%
          HN    GLN   90 - HB3   GLU-  79  14.09 +/- 2.63   4.533% *  0.2654% (0.61   1.0   0.02   0.02) =   0.015%
          HN    GLY  109 - HB2   GLN   90  12.46 +/- 3.72   3.910% *  0.1458% (0.33   1.0   0.02   0.02) =   0.007%
          HE1   HIS   22 - HB3   GLU-  79  12.40 +/- 6.29   5.538% *  0.0675% (0.15   1.0   0.02   0.02) =   0.005%
          HN    GLY  109 - HB3   GLU-  79  20.92 +/- 2.24   0.475% *  0.3925% (0.90   1.0   0.02   0.02) =   0.002%
          HN    ILE  103 - HB2   GLN   90  19.98 +/- 1.76   0.518% *  0.1302% (0.30   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB2   GLN   90  23.75 +/- 3.87   0.372% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 5.24, residual support = 49.2:
          HN    LEU   80 - QG    GLU-  79   3.82 +/- 0.55  86.445% * 98.4791% (0.61   5.24  49.19) =  99.941%  kept
          HN    SER   85 - QG    GLU-  79  10.13 +/- 1.01   6.381% *  0.3015% (0.49   0.02   0.02) =   0.023%
          HN    GLN   32 - QG    GLU-  79  14.59 +/- 4.00   2.759% *  0.5372% (0.87   0.02   0.02) =   0.017%
          HN    ALA   34 - QG    GLU-  79  15.58 +/- 3.63   2.790% *  0.4497% (0.73   0.02   0.02) =   0.015%
          HN    CYS   53 - QG    GLU-  79  17.37 +/- 3.83   1.625% *  0.2324% (0.38   0.02   0.02) =   0.004%
    Distance limit 3.68 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.6, residual support = 49.2:
      O   HN    LEU   80 - HA    GLU-  79   3.44 +/- 0.30  93.208% * 99.2120% (0.28  10.0   5.60  49.19) =  99.980%  kept
          HN    SER   85 - HA    GLU-  79  10.05 +/- 0.88   4.196% *  0.2980% (0.84   1.0   0.02   0.02) =   0.014%
          HN    GLN   32 - HA    GLU-  79  17.60 +/- 4.49   1.323% *  0.3560% (1.00   1.0   0.02   0.02) =   0.005%
          HN    ALA   34 - HA    GLU-  79  19.01 +/- 4.07   1.272% *  0.1339% (0.38   1.0   0.02   0.02) =   0.002%
    Distance limit 3.31 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 = 0.673, support = 4.5, residual support = 85.2:
      O   HB2   LEU   80 - QD2   LEU   80   2.52 +/- 0.41  37.203% * 71.2691% (0.87  10.0  1.00   4.21  85.17) =  63.116%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.12 +/- 0.02  55.261% * 28.0259% (0.34  10.0  1.00   4.99  85.17) =  36.867%  kept
        T HB3   LEU   73 - QD2   LEU   80   7.79 +/- 2.28   1.960% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.010%
          QB    LEU   98 - QD2   LEU   80  10.32 +/- 2.27   1.274% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD2   LEU   80   8.20 +/- 1.74   1.238% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL   42 - QD2   LEU   80  10.83 +/- 2.19   0.806% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  16.43 +/- 4.49   0.292% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  11.77 +/- 4.28   0.492% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  12.44 +/- 3.78   0.371% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.19 +/- 3.09   0.106% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  11.71 +/- 1.41   0.365% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  15.96 +/- 2.30   0.153% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.06 +/- 2.16   0.182% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  15.91 +/- 2.81   0.182% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  17.49 +/- 2.18   0.115% *  0.0144% (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 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.875, support = 5.44, residual support = 71.7:
          HA    LEU   80 - QD2   LEU   80   2.89 +/- 0.69  56.784% * 58.2795% (0.87   6.19  85.17) =  83.715%  kept
          HA    THR   23 - QD2   LEU   80   6.71 +/- 5.08  22.387% * 18.8469% (0.99   1.75   1.78) =  10.673%  kept
          HA    ASP-  78 - QD2   LEU   80   7.05 +/- 1.40  13.324% * 10.0483% (0.80   1.16   5.96) =   3.387%  kept
          HB    THR   23 - QD2   LEU   80   8.17 +/- 4.97   6.908% * 12.7280% (0.73   1.61   1.78) =   2.224%  kept
          HA    ASP- 105 - QD2   LEU   80  15.93 +/- 2.29   0.598% *  0.0973% (0.45   0.02   0.02) =   0.001%
    Distance limit 2.78 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.612, support = 4.27, residual support = 19.9:
          HE3   TRP   27 - QD2   LEU   80   6.44 +/- 4.16  25.712% * 49.8762% (0.92   3.53   9.37) =  42.073%  kept
          HN    LYS+  81 - QD2   LEU   80   4.57 +/- 0.75  36.346% * 33.4252% (0.38   5.82  39.16) =  39.857%  kept
          HN    THR   23 - QD2   LEU   80   6.65 +/- 4.94  33.852% * 16.2542% (0.41   2.58   1.78) =  18.052%  kept
          QE    PHE   95 - QD2   LEU   80  12.12 +/- 1.87   2.198% *  0.1373% (0.45   0.02   0.02) =   0.010%
          QD    PHE   55 - QD2   LEU   80  17.46 +/- 2.15   0.734% *  0.2656% (0.87   0.02   0.02) =   0.006%
          HN    LEU   67 - QD2   LEU   80  14.33 +/- 1.56   1.158% *  0.0414% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.308, support = 2.55, residual support = 7.0:
          HN    VAL   24 - QD2   LEU   80   5.55 +/- 4.92  66.090% * 99.4382% (0.31   2.55   7.02) =  99.711%  kept
          HN    VAL   43 - QD2   LEU   80   8.75 +/- 2.33  33.910% *  0.5618% (0.22   0.02   0.02) =   0.289%  kept
    Distance limit 3.55 A violated in 3 structures by 1.08 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.282, support = 4.53, residual support = 33.5:
          HN    LYS+  81 - QD1   LEU   80   4.13 +/- 0.83  37.010% * 70.3830% (0.24   5.36  39.16) =  82.652%  kept
          HE3   TRP   27 - QD1   LEU   80   7.64 +/- 4.53  17.079% * 19.6159% (0.60   0.61   9.37) =  10.630%  kept
          HN    THR   23 - QD1   LEU   80   7.26 +/- 5.59  26.760% *  7.7193% (0.27   0.54   1.78) =   6.555%  kept
          HE3   TRP   27 - QD2   LEU   98   8.71 +/- 3.07   7.369% *  0.3700% (0.34   0.02   0.02) =   0.087%
          QE    PHE   95 - QD1   LEU   80  12.13 +/- 2.16   2.518% *  0.3135% (0.29   0.02   0.02) =   0.025%
          QE    PHE   95 - QD2   LEU   98  11.39 +/- 1.26   2.091% *  0.1797% (0.17   0.02   0.02) =   0.012%
          QD    PHE   55 - QD1   LEU   80  17.30 +/- 2.54   0.602% *  0.6066% (0.56   0.02   0.02) =   0.012%
          HN    LYS+  81 - QD2   LEU   98  13.93 +/- 2.86   2.427% *  0.1504% (0.14   0.02   0.02) =   0.012%
          QD    PHE   55 - QD2   LEU   98  17.70 +/- 1.86   0.502% *  0.3477% (0.32   0.02   0.02) =   0.006%
          HN    THR   23 - QD2   LEU   98  14.39 +/- 2.65   1.041% *  0.1648% (0.15   0.02   0.02) =   0.005%
          HN    LEU   67 - QD1   LEU   80  14.63 +/- 2.41   1.012% *  0.0946% (0.09   0.02   0.02) =   0.003%
          HN    LEU   67 - QD2   LEU   98  12.52 +/- 1.76   1.590% *  0.0543% (0.05   0.02   0.02) =   0.003%
    Distance limit 3.42 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.08, residual support = 104.6:
          HN    LYS+  81 - QG    LYS+  81   2.99 +/- 0.57  85.707% * 96.1869% (0.87   5.09 104.66) =  99.934%  kept
          HE3   TRP   27 - QG    LYS+  81  13.68 +/- 3.74   1.628% *  2.6443% (0.45   0.27   0.02) =   0.052%
          HE3   TRP   27 - HG2   LYS+  33   8.90 +/- 0.87   4.627% *  0.0936% (0.21   0.02   0.02) =   0.005%
          QD    PHE   60 - QG    LYS+  81  15.49 +/- 2.62   0.983% *  0.2294% (0.53   0.02   0.02) =   0.003%
          HN    LYS+  81 - HG2   LYS+  33  19.94 +/- 3.89   0.517% *  0.1811% (0.42   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+  33  16.68 +/- 2.42   0.819% *  0.1098% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QG    LYS+  81  19.40 +/- 3.50   0.539% *  0.1636% (0.38   0.02   0.02) =   0.001%
          HN    LYS+  81 - HG2   LYS+ 106  19.18 +/- 2.95   0.674% *  0.0832% (0.19   0.02   0.02) =   0.001%
          QD    PHE   60 - HG2   LYS+ 106  14.42 +/- 1.64   1.062% *  0.0505% (0.12   0.02   0.02) =   0.001%
          HE3   TRP   27 - HG2   LYS+ 106  16.10 +/- 2.05   0.741% *  0.0430% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.32 +/- 2.18   1.033% *  0.0283% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  20.48 +/- 2.12   0.435% *  0.0590% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  18.30 +/- 2.21   0.546% *  0.0360% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.22 +/- 2.31   0.186% *  0.0783% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.46 +/- 1.92   0.503% *  0.0130% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.645, support = 0.696, residual support = 1.38:
          HN    GLU-  79 - QG    LYS+  81   5.79 +/- 0.91  63.063% * 93.4928% (0.65   0.70   1.39) =  99.581%  kept
          HN    THR   94 - QG    LYS+  81  12.32 +/- 1.69   7.246% *  1.0308% (0.25   0.02   0.02) =   0.126%  kept
          HN    VAL   70 - HG2   LYS+  33  13.73 +/- 1.87   5.772% *  0.8137% (0.20   0.02   0.02) =   0.079%
          HN    GLU-  79 - HG2   LYS+  33  19.04 +/- 3.49   2.673% *  1.2804% (0.31   0.02   0.02) =   0.058%
          HN    VAL   70 - QG    LYS+  81  20.93 +/- 2.69   1.645% *  1.6995% (0.41   0.02   0.02) =   0.047%
          HN    THR   94 - HG2   LYS+ 106  11.61 +/- 1.31  10.793% *  0.2268% (0.05   0.02   0.02) =   0.041%
          HN    VAL   70 - HG2   LYS+ 106  16.22 +/- 3.32   4.999% *  0.3739% (0.09   0.02   0.02) =   0.032%
          HN    GLU-  79 - HG2   LYS+ 106  19.42 +/- 2.54   2.311% *  0.5884% (0.14   0.02   0.02) =   0.023%
          HN    THR   94 - HG2   LYS+  33  21.46 +/- 1.58   1.499% *  0.4935% (0.12   0.02   0.02) =   0.012%
    Distance limit 3.88 A violated in 11 structures by 1.90 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.73, residual support = 104.6:
      O   HN    LYS+  81 - QB    LYS+  81   2.14 +/- 0.18  84.074% * 98.5864% (0.38  10.0   5.73 104.66) =  99.910%  kept
          QD    PHE   55 - HB3   PRO   52   4.99 +/- 0.93  11.670% *  0.6128% (0.10   1.0   0.47   0.41) =   0.086%
          HE3   TRP   27 - QB    LYS+  81  13.34 +/- 3.94   0.561% *  0.2425% (0.92   1.0   0.02   0.02) =   0.002%
          HN    THR   23 - QB    LYS+  81  12.50 +/- 4.74   0.694% *  0.1080% (0.41   1.0   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    LYS+  81  14.81 +/- 1.53   0.296% *  0.1178% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  20.00 +/- 3.16   0.139% *  0.2279% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52  10.09 +/- 2.38   1.911% *  0.0135% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  20.41 +/- 1.81   0.111% *  0.0355% (0.14   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  21.77 +/- 3.22   0.108% *  0.0278% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  22.43 +/- 4.89   0.134% *  0.0124% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  21.75 +/- 4.35   0.126% *  0.0113% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  19.16 +/- 2.99   0.176% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.35, residual support = 104.7:
      O   HN    LYS+  81 - HA    LYS+  81   2.78 +/- 0.05  97.584% * 99.8291% (0.87  10.0   5.35 104.66) =  99.999%  kept
          HE3   TRP   27 - HA    LYS+  81  13.69 +/- 4.21   1.221% *  0.0516% (0.45   1.0   0.02   0.02) =   0.001%
          QD    PHE   60 - HA    LYS+  81  16.02 +/- 2.73   0.648% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.73 +/- 3.35   0.299% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  21.50 +/- 2.29   0.247% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.675, support = 3.17, residual support = 20.0:
          HA    LEU   80 - QG    LYS+  81   5.18 +/- 0.69  32.813% * 58.1731% (0.38   5.06  39.16) =  50.273%  kept
          HA    ASP-  78 - QG    LYS+  81   4.26 +/- 1.91  49.123% * 38.2116% (0.98   1.27   0.65) =  49.436%  kept
          HA    THR   23 - QG    LYS+  81  12.10 +/- 5.06   4.166% *  2.2880% (0.76   0.10   0.02) =   0.251%  kept
          HB    THR   23 - QG    LYS+  81  13.65 +/- 5.05   2.652% *  0.1527% (0.25   0.02   0.02) =   0.011%
          HA    PHE   45 - QG    LYS+  81  10.21 +/- 1.66   3.123% *  0.0945% (0.15   0.02   0.02) =   0.008%
          HA    THR   23 - HG2   LYS+  33  14.30 +/- 1.25   1.210% *  0.2241% (0.37   0.02   0.02) =   0.007%
          HA    ASP-  78 - HG2   LYS+  33  21.81 +/- 3.50   0.500% *  0.2874% (0.47   0.02   0.02) =   0.004%
          HB    THR   23 - HG2   LYS+  33  13.48 +/- 1.85   1.565% *  0.0731% (0.12   0.02   0.02) =   0.003%
          HA    LEU   80 - HG2   LYS+  33  17.87 +/- 3.48   0.693% *  0.1101% (0.18   0.02   0.02) =   0.002%
          HA    ASP-  78 - HG2   LYS+ 106  20.32 +/- 2.48   0.428% *  0.1321% (0.22   0.02   0.02) =   0.001%
          HA    LEU   80 - HG2   LYS+ 106  17.99 +/- 3.38   1.022% *  0.0506% (0.08   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+ 106  13.56 +/- 1.34   1.615% *  0.0208% (0.03   0.02   0.02) =   0.001%
          HA    THR   23 - HG2   LYS+ 106  22.94 +/- 2.36   0.324% *  0.1030% (0.17   0.02   0.02) =   0.001%
          HA    PHE   45 - HG2   LYS+  33  18.86 +/- 1.89   0.510% *  0.0452% (0.07   0.02   0.02) =   0.001%
          HB    THR   23 - HG2   LYS+ 106  24.29 +/- 1.99   0.257% *  0.0336% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.12 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 = 3.4, residual support = 33.3:
      O   HN    SER   82 - HB3   SER   82   2.56 +/- 0.58  99.684% * 99.5254% (0.41  10.0   3.40  33.29) =  99.999%  kept
          HN    GLY   16 - HB3   SER   82  25.33 +/- 4.65   0.171% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  26.66 +/- 1.91   0.145% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.372, support = 3.33, residual support = 14.8:
      O   HN    TRP   49 - HA    SER   48   3.53 +/- 0.07  31.916% * 84.5931% (0.40  10.0   3.25  14.36) =  82.716%  kept
          HN    VAL   83 - HB2   SER   82   3.09 +/- 0.43  47.522% * 10.2867% (0.24   1.0   4.09  19.38) =  14.977%  kept
          HN    CYS   50 - HA    SER   48   5.06 +/- 1.01  16.506% *  4.5507% (0.36   1.0   1.20   0.02) =   2.301%  kept
          HN    TRP   49 - HB2   SER   82  20.00 +/- 3.59   0.257% *  0.1541% (0.72   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    VAL   70  10.82 +/- 1.71   1.440% *  0.0239% (0.11   1.0   0.02   0.02) =   0.001%
          HN    CYS   50 - HB2   SER   82  21.23 +/- 3.78   0.213% *  0.1385% (0.65   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HB2   SER   82  16.77 +/- 3.99   0.393% *  0.0688% (0.32   1.0   0.02   0.02) =   0.001%
          HN    VAL   83 - HA    SER   48  15.92 +/- 3.41   0.680% *  0.0276% (0.13   1.0   0.02   0.02) =   0.001%
          HE22  GLN   30 - HA    SER   48  19.09 +/- 4.05   0.389% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  21.37 +/- 2.71   0.177% *  0.0535% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  20.82 +/- 2.87   0.195% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  19.45 +/- 2.63   0.312% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.01, residual support = 33.3:
      O   HN    SER   82 - HB2   SER   82   2.90 +/- 0.52  90.235% * 99.0159% (0.39  10.0   4.01  33.29) =  99.990%  kept
          HN    GLY   16 - HA    VAL   70  10.00 +/- 3.83   6.242% *  0.0820% (0.32   1.0   0.02   0.02) =   0.006%
          HN    SER  117 - HA    VAL   70  17.01 +/- 3.91   0.977% *  0.0820% (0.32   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - HA    SER   48  19.09 +/- 2.18   0.530% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    SER   48  16.12 +/- 3.47   0.991% *  0.0544% (0.21   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HA    SER   48  22.81 +/- 5.17   0.364% *  0.1296% (0.51   1.0   0.02   0.02) =   0.001%
          HN    GLY   16 - HB2   SER   82  25.27 +/- 4.68   0.188% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  26.69 +/- 1.61   0.140% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  21.27 +/- 2.78   0.332% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.436, support = 5.33, residual support = 41.4:
          HN    ALA   84 - HB    VAL   83   3.37 +/- 0.30  97.990% * 98.8123% (0.44   5.33  41.40) =  99.990%  kept
          HE21  GLN   32 - HB    VAL   83  18.32 +/- 5.16   0.992% *  0.6834% (0.80   0.02   0.02) =   0.007%
          HN    LYS+ 111 - HB    VAL   83  20.85 +/- 2.47   0.558% *  0.3709% (0.44   0.02   0.02) =   0.002%
          HN    ILE   56 - HB    VAL   83  21.27 +/- 2.75   0.461% *  0.1334% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.33 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 86.0:
      O   HN    VAL   83 - HB    VAL   83   2.36 +/- 0.59  97.771% * 99.8243% (0.65  10.0   4.77  85.99) =  99.998%  kept
          HN    CYS   50 - HB    VAL   83  18.10 +/- 3.42   0.801% *  0.1375% (0.90   1.0   0.02   0.02) =   0.001%
          HN    TRP   49 - HB    VAL   83  17.13 +/- 3.40   1.428% *  0.0382% (0.25   1.0   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 0.02, residual support = 0.02:
          HZ2   TRP   87 - HA    ALA   84   7.91 +/- 1.35  53.902% * 31.7530% (0.96   0.02   0.02) =  62.521%  kept
          HD21  ASN   28 - HA    ALA   84  12.21 +/- 4.62  22.527% * 30.7120% (0.93   0.02   0.02) =  25.273%  kept
          QE    PHE   60 - HA    ALA   84  14.67 +/- 2.84  14.124% * 16.7431% (0.51   0.02   0.02) =   8.638%  kept
          HN    LEU   63 - HA    ALA   84  18.73 +/- 2.44   4.551% * 11.9438% (0.36   0.02   0.02) =   1.986%  kept
          HN    ILE   56 - HA    ALA   84  19.83 +/- 2.39   4.895% *  8.8482% (0.27   0.02   0.02) =   1.582%  kept
    Distance limit 3.56 A violated in 20 structures by 4.00 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.333, residual support = 0.605:
          QE    PHE   45 - HA    ALA   84   4.47 +/- 2.37  87.759% * 91.0596% (0.81   0.34   0.61) =  99.268%  kept
          QD    PHE   72 - HA    ALA   84  13.42 +/- 2.03   7.294% *  6.2696% (0.93   0.02   0.02) =   0.568%  kept
          HZ    PHE   72 - HA    ALA   84  15.58 +/- 2.13   4.947% *  2.6708% (0.40   0.02   0.02) =   0.164%  kept
    Distance limit 4.13 A violated in 4 structures by 1.00 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.912, support = 1.44, residual support = 12.6:
          HB    ILE   89 - HA    ALA   84   2.95 +/- 2.16  91.609% * 98.5339% (0.91   1.44  12.64) =  99.937%  kept
          QG1   ILE   56 - HA    ALA   84  16.78 +/- 2.00   7.107% *  0.6479% (0.43   0.02   0.02) =   0.051%
          HB3   LYS+  99 - HA    ALA   84  19.00 +/- 2.95   1.284% *  0.8182% (0.55   0.02   0.02) =   0.012%
    Distance limit 3.90 A violated in 1 structures by 0.41 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.755, support = 3.28, residual support = 29.8:
          QG2   VAL   83 - HA    ALA   84   3.32 +/- 0.62  61.091% * 47.5303% (0.66   3.54  41.40) =  59.788%  kept
          QD1   ILE   89 - HA    ALA   84   4.17 +/- 1.29  37.287% * 52.3722% (0.89   2.90  12.64) =  40.209%  kept
          QD2   LEU   31 - HA    ALA   84  11.76 +/- 3.24   1.621% *  0.0975% (0.24   0.02   0.02) =   0.003%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.89, residual support = 12.6:
          HG13  ILE   89 - HA    ALA   84   4.67 +/- 2.22 100.000% *100.0000% (0.55   2.89  12.64) = 100.000%  kept
    Distance limit 3.89 A violated in 5 structures by 1.20 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.756, support = 3.77, residual support = 29.6:
          QG2   VAL   83 - QB    ALA   84   3.71 +/- 0.64  61.948% * 44.3343% (0.66  1.00   3.90  41.40) =  58.875%  kept
          QD1   ILE   89 - QB    ALA   84   4.74 +/- 0.95  34.935% * 54.8410% (0.89  1.00   3.59  12.64) =  41.070%  kept
        T QD2   LEU   31 - QB    ALA   84  10.56 +/- 2.71   3.118% *  0.8247% (0.24 10.00   0.02   0.02) =   0.055%
    Distance limit 3.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.63, residual support = 12.6:
          HG13  ILE   89 - QB    ALA   84   5.27 +/- 1.57 100.000% *100.0000% (0.55   3.63  12.64) = 100.000%  kept
    Distance limit 3.83 A violated in 9 structures by 1.48 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.276, residual support = 0.609:
          QD    PHE   45 - QB    ALA   84   5.08 +/- 1.52  94.228% * 97.4112% (0.87   0.28   0.61) =  99.919%  kept
          HD2   HIS  122 - QB    ALA   84  19.06 +/- 2.24   2.828% *  1.3763% (0.17   0.02   0.02) =   0.042%
          HE22  GLN  116 - QB    ALA   84  20.47 +/- 2.30   2.944% *  1.2125% (0.15   0.02   0.02) =   0.039%
    Distance limit 4.05 A violated in 6 structures by 1.17 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.738, support = 0.02, residual support = 0.02:
          HE22  GLN   30 - QB    ALA   84  15.26 +/- 2.89  34.482% * 46.0056% (0.93   0.02   0.02) =  46.246%  kept
          HN    TRP   49 - QB    ALA   84  12.36 +/- 2.08  52.361% * 28.9138% (0.59   0.02   0.02) =  44.134%  kept
          HD22  ASN   69 - QB    ALA   84  20.68 +/- 2.30  13.157% * 25.0806% (0.51   0.02   0.02) =   9.620%  kept
    Distance limit 4.27 A violated in 20 structures by 7.03 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   2.17 +/- 0.08  96.651% * 99.7822% (0.99  10.0   3.15  18.03) =  99.999%  kept
          HN    GLN   32 - QB    SER   85  17.32 +/- 3.83   0.240% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER   48  15.07 +/- 3.20   0.561% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.04 +/- 0.91   0.470% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  10.93 +/- 1.13   0.828% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  21.53 +/- 3.64   0.141% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  19.31 +/- 2.73   0.158% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.49 +/- 1.02   0.547% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.11 +/- 1.36   0.096% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.37 +/- 2.71   0.081% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  22.00 +/- 3.06   0.125% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  23.31 +/- 3.09   0.103% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   2.98 +/- 0.27  90.191% * 97.6159% (0.87   3.33  13.44) =  99.984%  kept
          HN    GLU-  29 - QB    SER   85  16.38 +/- 4.19   0.743% *  0.6629% (0.98   0.02   0.02) =   0.006%
          HN    GLN   30 - QB    SER   85  16.96 +/- 3.82   0.642% *  0.5416% (0.80   0.02   0.02) =   0.004%
          HN    GLU-  29 - QB    SER   48  19.73 +/- 4.50   0.753% *  0.1617% (0.24   0.02   0.02) =   0.001%
          HN    ASP-  86 - QB    SER   48  16.18 +/- 3.05   0.762% *  0.1431% (0.21   0.02   0.02) =   0.001%
          HN    GLN   30 - QB    SER   48  19.23 +/- 4.01   0.759% *  0.1321% (0.20   0.02   0.02) =   0.001%
          HE1   HIS  122 - QB    SER  117  10.47 +/- 0.81   2.278% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  17.25 +/- 5.67   1.105% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  27.94 +/- 3.68   0.159% *  0.1506% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.62 +/- 1.39   0.262% *  0.0905% (0.13   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  22.65 +/- 3.51   0.252% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  23.92 +/- 2.85   0.250% *  0.0836% (0.12   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  23.27 +/- 3.82   0.222% *  0.0915% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  25.49 +/- 2.66   0.190% *  0.1023% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  23.40 +/- 5.23   0.389% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  19.90 +/- 2.85   0.421% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.53 +/- 2.45   0.437% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  26.61 +/- 3.08   0.186% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.78, residual support = 15.4:
      O   HN    SER  117 - QB    SER  117   2.18 +/- 0.14  99.254% * 98.5738% (0.12  10.0   2.78  15.36) =  99.998%  kept
          HN    SER  117 - QB    SER   85  22.94 +/- 1.21   0.089% *  0.6389% (0.80   1.0   0.02   0.02) =   0.001%
          HN    SER  117 - QB    SER   48  18.19 +/- 2.66   0.290% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  25.67 +/- 3.65   0.075% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  21.48 +/- 4.83   0.168% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  22.39 +/- 3.09   0.124% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.0:
      O   HN    SER   85 - HA    SER   85   2.83 +/- 0.02  98.361% * 99.8725% (0.99  10.0   3.65  18.03) =  99.999%  kept
          HN    GLN   32 - HA    SER   85  20.10 +/- 4.13   0.336% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    SER   85  13.00 +/- 0.94   1.071% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  22.07 +/- 3.02   0.232% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.55, residual support = 42.5:
      O   HN    ASP-  86 - HB3   ASP-  86   3.18 +/- 0.51  94.555% * 99.6620% (0.95  10.0   3.55  42.54) =  99.996%  kept
          HN    GLN   30 - HB3   ASP-  86  15.74 +/- 5.09   1.463% *  0.1033% (0.98   1.0   0.02   0.02) =   0.002%
          HN    GLU-  29 - HB3   ASP-  86  15.57 +/- 5.45   1.724% *  0.0596% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB3   ASP-  86  14.55 +/- 2.81   1.567% *  0.0472% (0.45   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB3   ASP-  86  21.77 +/- 4.57   0.504% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  28.04 +/- 4.55   0.187% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.03, residual support = 42.5:
      O   HN    ASP-  86 - HB2   ASP-  86   2.39 +/- 0.22  97.905% * 99.2641% (0.49  10.0   5.03  42.54) =  99.997%  kept
          HN    LYS+  99 - HB2   ASP-  86  14.74 +/- 2.56   0.546% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HB2   ASP-  86  15.61 +/- 5.01   0.589% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   ASP-  86  21.30 +/- 4.35   0.212% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  15.50 +/- 5.31   0.651% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  27.70 +/- 4.55   0.096% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.428, support = 3.6, residual support = 22.7:
          HD1   TRP   87 - HB2   ASP-  86   3.03 +/- 0.30  80.386% * 37.5881% (0.38   3.60  22.68) =  77.044%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.64 +/- 0.54  14.811% * 60.6209% (0.61   3.59  22.68) =  22.894%  kept
          HN    ALA   91 - HB2   ASP-  86  11.12 +/- 1.30   2.707% *  0.5263% (0.95   0.02   0.02) =   0.036%
          HN    TRP   27 - HB2   ASP-  86  14.52 +/- 5.30   1.414% *  0.5369% (0.97   0.02   0.02) =   0.019%
          HN    ALA   61 - HB2   ASP-  86  20.00 +/- 2.53   0.339% *  0.4990% (0.90   0.02   0.02) =   0.004%
          HN    THR   39 - HB2   ASP-  86  19.87 +/- 2.66   0.343% *  0.2287% (0.41   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.24, residual support = 10.7:
        T HA    VAL   83 - HB2   ASP-  86   2.55 +/- 0.65  86.878% * 95.5200% (0.22 10.00   2.25  10.77) =  99.643%  kept
          HB3   SER   82 - HB2   ASP-  86   6.86 +/- 0.86   9.782% *  2.9396% (0.41  1.00   0.33   0.02) =   0.345%  kept
          HB2   CYS   53 - HB2   ASP-  86  20.63 +/- 3.23   1.278% *  0.3848% (0.90  1.00   0.02   0.02) =   0.006%
          HD3   PRO   52 - HB2   ASP-  86  22.88 +/- 3.19   0.594% *  0.3961% (0.92  1.00   0.02   0.02) =   0.003%
          HA    GLN   30 - HB2   ASP-  86  17.57 +/- 4.65   0.448% *  0.4141% (0.97  1.00   0.02   0.02) =   0.002%
          HA    GLU- 100 - HB2   ASP-  86  17.45 +/- 2.90   0.373% *  0.0849% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  23.84 +/- 2.20   0.229% *  0.1193% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  19.20 +/- 2.52   0.254% *  0.0662% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  25.80 +/- 4.42   0.163% *  0.0751% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.16, residual support = 42.5:
      O   HN    ASP-  86 - HA    ASP-  86   2.74 +/- 0.04  98.006% * 99.2641% (0.49  10.0   4.16  42.54) =  99.997%  kept
          HN    LYS+  99 - HA    ASP-  86  16.29 +/- 2.78   0.545% *  0.1883% (0.92   1.0   0.02   0.02) =   0.001%
          HN    GLN   30 - HA    ASP-  86  17.72 +/- 4.87   0.528% *  0.1155% (0.57   1.0   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASP-  86  23.54 +/- 4.60   0.213% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  17.34 +/- 5.27   0.616% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  30.22 +/- 4.43   0.091% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.54, residual support = 70.6:
          HE3   TRP   87 - HA    TRP   87   3.52 +/- 0.29  92.995% * 98.5738% (0.99   3.54  70.65) =  99.966%  kept
          HN    ALA   91 - HA    TRP   87   9.87 +/- 0.67   4.768% *  0.4872% (0.87   0.02   0.02) =   0.025%
          HN    ALA   61 - HA    TRP   87  20.15 +/- 3.71   0.839% *  0.5185% (0.92   0.02   0.02) =   0.005%
          HN    TRP   27 - HA    TRP   87  17.65 +/- 4.48   1.118% *  0.2955% (0.53   0.02   5.71) =   0.004%
          HN    GLN   17 - HA    TRP   87  25.83 +/- 3.79   0.281% *  0.1250% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB2   TRP   87   2.41 +/- 0.03  97.338% * 99.7445% (0.99  10.0   3.23  70.65) =  99.998%  kept
          HN    ALA   91 - HB2   TRP   87   9.25 +/- 0.62   1.799% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    ALA   61 - HB2   TRP   87  18.21 +/- 3.76   0.346% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  17.08 +/- 4.27   0.406% *  0.0529% (0.53   1.0   0.02   5.71) =   0.000%
          HN    GLN   17 - HB2   TRP   87  24.25 +/- 3.91   0.112% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.23, residual support = 70.6:
      O   HE3   TRP   87 - HB3   TRP   87   3.93 +/- 0.12  85.206% * 99.7445% (0.99  10.0   3.23  70.65) =  99.986%  kept
          HN    ALA   91 - HB3   TRP   87   7.89 +/- 0.62  11.406% *  0.0873% (0.87   1.0   0.02   0.02) =   0.012%
          HN    ALA   61 - HB3   TRP   87  17.66 +/- 3.47   1.315% *  0.0929% (0.92   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HB3   TRP   87  16.51 +/- 4.14   1.632% *  0.0529% (0.53   1.0   0.02   5.71) =   0.001%
          HN    GLN   17 - HB3   TRP   87  23.98 +/- 3.83   0.441% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.63 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.915, support = 2.32, residual support = 18.4:
          QD1   ILE   89 - HB2   TRP   87   3.69 +/- 0.55  71.058% * 61.4866% (0.90   2.52  18.94) =  81.927%  kept
          QG2   VAL   83 - HB2   TRP   87   5.77 +/- 0.83  25.246% * 38.1189% (1.00   1.40  16.24) =  18.046%  kept
          QD2   LEU   31 - HB2   TRP   87  11.77 +/- 3.33   3.696% *  0.3944% (0.73   0.02   1.81) =   0.027%
    Distance limit 3.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.445, support = 4.02, residual support = 18.9:
        T QD1   ILE   89 - HB3   TRP   87   2.69 +/- 0.51  73.464% * 95.3806% (0.45 10.00   4.05  18.94) =  98.738%  kept
          QG2   VAL   83 - HB3   TRP   87   4.99 +/- 0.77  19.726% *  4.5230% (0.22  1.00   1.91  16.24) =   1.257%  kept
          QG2   VAL   75 - HB3   TRP   87   8.41 +/- 2.30   4.652% *  0.0592% (0.28  1.00   0.02   0.02) =   0.004%
          QG2   VAL   42 - HB3   TRP   87  10.42 +/- 1.77   2.157% *  0.0373% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.227, support = 0.74, residual support = 18.7:
          HG12  ILE   89 - HB3   TRP   87   2.87 +/- 0.73  84.666% * 54.8868% (0.22   0.75  18.94) =  98.627%  kept
          QB    ALA   91 - HB3   TRP   87   8.32 +/- 0.75   4.620% *  5.7027% (0.87   0.02   0.02) =   0.559%  kept
          QG2   ILE   56 - HB3   TRP   87  15.77 +/- 3.32   5.209% *  2.7027% (0.41   0.02   0.02) =   0.299%  kept
          HG2   LYS+  74 - HB3   TRP   87  14.97 +/- 2.48   1.359% *  5.8960% (0.90   0.02   0.02) =   0.170%  kept
          HG3   LYS+  99 - HB3   TRP   87  17.84 +/- 2.34   0.755% *  6.0688% (0.92   0.02   0.02) =   0.097%
          QG2   THR   39 - HB3   TRP   87  16.70 +/- 2.06   0.643% *  5.7027% (0.87   0.02   0.02) =   0.078%
          HG13  ILE   19 - HB3   TRP   87  20.76 +/- 3.61   0.389% *  6.5596% (1.00   0.02   0.02) =   0.054%
          HG    LEU   71 - HB3   TRP   87  19.12 +/- 2.59   0.360% *  5.7027% (0.87   0.02   0.02) =   0.044%
          QB    ALA   34 - HB3   TRP   87  14.73 +/- 2.10   1.025% *  1.6393% (0.25   0.02   0.02) =   0.036%
          HG3   LYS+ 111 - HB3   TRP   87  17.07 +/- 2.27   0.760% *  1.1513% (0.18   0.02   0.02) =   0.019%
          HG3   LYS+  38 - HB3   TRP   87  23.56 +/- 2.21   0.214% *  3.9875% (0.61   0.02   0.02) =   0.018%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.0:
      O   HN    ALA   88 - HA    ALA   88   2.25 +/- 0.08  99.339% * 99.0353% (0.38  10.0   1.63  11.95) =  99.998%  kept
          HN    LEU   31 - HA    ALA   88  19.24 +/- 3.42   0.184% *  0.2804% (0.87   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - HA    ALA   88  22.69 +/- 3.00   0.149% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  22.70 +/- 3.61   0.136% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  21.86 +/- 3.19   0.192% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 2.05, residual support = 11.9:
      O   HN    ALA   88 - QB    ALA   88   2.91 +/- 0.09  97.423% * 99.2112% (0.38  10.0   2.05  11.95) =  99.995%  kept
          HN    LEU   31 - QB    ALA   88  16.77 +/- 2.93   0.621% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    PHE   55 - QB    ALA   88  18.91 +/- 2.76   0.586% *  0.2293% (0.87   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - QB    ALA   88  19.04 +/- 3.76   0.582% *  0.2117% (0.80   1.0   0.02   0.02) =   0.001%
          HN    ARG+  54 - QB    ALA   88  18.35 +/- 2.98   0.789% *  0.1185% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.58 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 = 215.9:
          QD1   ILE   89 - HA    ILE   89   3.24 +/- 0.60  87.236% * 99.6619% (0.92   5.98 215.96) =  99.966%  kept
          QG2   VAL   83 - HA    ILE   89   6.89 +/- 0.87  11.247% *  0.2481% (0.69   0.02   0.02) =   0.032%
          QD2   LEU   31 - HA    ILE   89  13.90 +/- 2.30   1.517% *  0.0901% (0.25   0.02   0.02) =   0.002%
    Distance limit 3.21 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.3, residual support = 39.3:
      O   HN    GLN   90 - HA    ILE   89   2.38 +/- 0.28  95.243% * 99.8365% (0.99  10.0   6.30  39.34) =  99.998%  kept
          HN    GLY  109 - HA    ILE   89  10.38 +/- 3.31   2.912% *  0.0280% (0.28   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    ILE   89  11.02 +/- 1.03   1.412% *  0.0452% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HA    ILE   89  15.37 +/- 2.00   0.432% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 216.0:
      O   HN    ILE   89 - HA    ILE   89   2.70 +/- 0.12  98.979% * 99.6601% (0.76  10.0   6.00 215.96) =  99.999%  kept
          HN    CYS   21 - HA    ILE   89  18.82 +/- 3.34   0.386% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  18.88 +/- 1.97   0.323% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  25.29 +/- 1.36   0.125% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  22.39 +/- 2.22   0.188% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.906, support = 2.39, residual support = 8.43:
          HN    ALA   91 - HA    ILE   89   3.82 +/- 0.43  66.461% * 77.6260% (0.95   2.49   7.61) =  92.700%  kept
          HD1   TRP   87 - HA    ILE   89   5.64 +/- 0.56  24.078% * 15.0001% (0.38   1.21  18.94) =   6.490%  kept
          HE3   TRP   87 - HA    ILE   89   8.08 +/- 0.44   7.488% *  5.8735% (0.61   0.29  18.94) =   0.790%  kept
          HN    ALA   61 - HA    ILE   89  17.89 +/- 3.12   0.884% *  0.5920% (0.90   0.02   0.02) =   0.009%
          HN    TRP   27 - HA    ILE   89  18.27 +/- 3.63   0.786% *  0.6370% (0.97   0.02   0.02) =   0.009%
          HN    THR   39 - HA    ILE   89  23.49 +/- 1.37   0.302% *  0.2714% (0.41   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.729, support = 5.21, residual support = 211.5:
      O T QD1   ILE   89 - HB    ILE   89   2.60 +/- 0.43  55.018% * 90.9945% (0.74  10.0 10.00   5.31 215.96) =  97.916%  kept
        T QD1   ILE   89 - HB    VAL   43   5.02 +/- 1.40  13.823% *  4.7288% (0.16   1.0 10.00   0.48   0.02) =   1.278%  kept
          QG2   VAL   83 - HB    ILE   89   4.78 +/- 1.08  15.244% *  1.9092% (0.55   1.0  1.00   0.56   0.02) =   0.569%  kept
        T QD2   LEU   31 - HB    VAL   43   7.69 +/- 2.45   4.178% *  2.0129% (0.04   1.0 10.00   0.75   0.02) =   0.164%  kept
          QG2   VAL   83 - HB    VAL   43   5.73 +/- 1.98  11.017% *  0.3300% (0.12   1.0  1.00   0.45   0.02) =   0.071%
          QD2   LEU   31 - HB    ILE   89  12.14 +/- 2.57   0.721% *  0.0246% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 215.9:
      O T HG13  ILE   89 - HB    ILE   89   2.67 +/- 0.32  94.437% * 99.7821% (0.78  10.0 10.00   4.97 215.96) =  99.987%  kept
        T HG13  ILE   89 - HB    VAL   43   7.52 +/- 1.52   5.563% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.013%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 216.0:
      O   HN    ILE   89 - HB    ILE   89   2.41 +/- 0.41  93.608% * 99.5645% (0.61  10.0   5.57 215.96) =  99.998%  kept
          HN    ILE   89 - HB    VAL   43   9.10 +/- 1.31   2.394% *  0.0217% (0.13   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    ILE   89  16.79 +/- 3.50   0.440% *  0.1168% (0.72   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HB    VAL   43  12.33 +/- 3.43   1.330% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  19.06 +/- 1.71   0.269% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.41 +/- 2.13   0.582% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  23.40 +/- 1.83   0.121% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  16.77 +/- 1.09   0.375% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  20.30 +/- 2.64   0.203% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  14.69 +/- 2.48   0.680% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   9.41 +/- 1.22 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 20 structures by 5.83 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 0.971, residual support = 18.9:
          HD1   TRP   87 - QG2   ILE   89   4.38 +/- 0.15  91.392% * 93.8540% (0.95   0.97  18.94) =  99.874%  kept
          HN    LYS+ 102 - QG2   ILE   89  15.53 +/- 0.98   2.153% *  1.6345% (0.80   0.02   0.02) =   0.041%
          HN    TRP   27 - QG2   ILE   89  13.36 +/- 3.10   4.097% *  0.6963% (0.34   0.02   0.02) =   0.033%
          HN    THR   39 - QG2   ILE   89  18.36 +/- 1.32   1.324% *  1.8843% (0.92   0.02   0.02) =   0.029%
          HN    GLU-  36 - QG2   ILE   89  19.86 +/- 1.50   1.034% *  1.9309% (0.95   0.02   0.02) =   0.023%
    Distance limit 3.63 A violated in 0 structures by 0.74 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 7.16, residual support = 39.3:
          HN    GLN   90 - QG2   ILE   89   2.69 +/- 0.63  92.633% * 99.1791% (0.61   7.16  39.34) =  99.973%  kept
          HN    SER   82 - QG2   ILE   89   7.95 +/- 0.74   5.064% *  0.4217% (0.92   0.02   0.02) =   0.023%
          HN    ILE  103 - QG2   ILE   89  12.97 +/- 1.44   1.076% *  0.1878% (0.41   0.02   0.02) =   0.002%
          HN    SER  117 - QG2   ILE   89  14.70 +/- 0.76   0.838% *  0.0705% (0.15   0.02   0.02) =   0.001%
          HN    GLY   16 - QG2   ILE   89  20.24 +/- 3.20   0.390% *  0.1410% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 13.5:
        T HB2   PHE   45 - QG2   ILE   89   3.39 +/- 0.56  92.897% * 99.5807% (0.97 10.00   0.75  13.52) =  99.983%  kept
          QE    LYS+ 111 - QG2   ILE   89  11.75 +/- 2.42   4.522% *  0.2745% (1.00  1.00   0.02   0.02) =   0.013%
          HB2   CYS   21 - QG2   ILE   89  13.39 +/- 3.14   2.581% *  0.1448% (0.53  1.00   0.02   0.02) =   0.004%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.2, support = 5.14, residual support = 35.2:
          QG    GLN   90 - QG2   ILE   89   4.15 +/- 0.44  50.904% * 67.0377% (0.15   5.71  39.34) =  89.461%  kept
          HG2   MET   92 - QG2   ILE   89   6.42 +/- 1.23  21.186% * 13.0717% (0.73   0.24   0.02) =   7.260%  kept
          HB2   ASP-  44 - QG2   ILE   89   8.24 +/- 1.01   7.824% * 14.0736% (0.28   0.66   0.02) =   2.887%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.84 +/- 1.63   9.323% *  0.8622% (0.57   0.02   0.02) =   0.211%  kept
          QG    GLU- 114 - QG2   ILE   89  10.71 +/- 1.41   3.457% *  0.9852% (0.65   0.02   0.02) =   0.089%
          HG2   PRO   52 - QG2   ILE   89  12.60 +/- 2.80   2.903% *  0.3390% (0.22   0.02   0.02) =   0.026%
          QB    MET   11 - QG2   ILE   89  23.12 +/- 5.20   0.712% *  1.2720% (0.84   0.02   0.02) =   0.024%
          HB3   PHE   72 - QG2   ILE   89  12.73 +/- 1.22   2.011% *  0.3014% (0.20   0.02   0.02) =   0.016%
          QG    GLU-  15 - QG2   ILE   89  19.02 +/- 2.77   0.679% *  0.5716% (0.38   0.02   0.02) =   0.010%
          HG3   GLU-  36 - QG2   ILE   89  22.34 +/- 1.69   0.339% *  1.1058% (0.73   0.02   0.02) =   0.010%
          QG    GLU-  14 - QG2   ILE   89  19.69 +/- 3.58   0.662% *  0.3797% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.67 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.49, support = 1.08, residual support = 13.4:
        T HB3   PHE   45 - QG2   ILE   89   3.62 +/- 0.70  68.159% * 93.8901% (0.49 10.00   1.09  13.52) =  99.218%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.64 +/- 0.52   9.298% *  5.0889% (1.00  1.00   0.29   0.02) =   0.734%  kept
          QE    LYS+ 112 - QG2   ILE   89   9.72 +/- 1.52   6.032% *  0.1722% (0.49  1.00   0.02   0.02) =   0.016%
          HG3   MET   96 - QG2   ILE   89   7.86 +/- 0.72   8.264% *  0.1207% (0.34  1.00   0.02   5.08) =   0.015%
          HB3   ASP-  62 - QG2   ILE   89  14.91 +/- 2.69   1.852% *  0.2703% (0.76  1.00   0.02   0.02) =   0.008%
          HG2   GLU-  29 - QG2   ILE   89  17.28 +/- 2.97   0.918% *  0.3414% (0.97  1.00   0.02   0.02) =   0.005%
          HB    VAL  107 - QG2   ILE   89   9.43 +/- 0.86   5.131% *  0.0546% (0.15  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  36 - QG2   ILE   89  22.28 +/- 1.68   0.345% *  0.0619% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.445, support = 2.87, residual support = 10.4:
          QB    ALA   84 - QG2   ILE   89   3.22 +/- 1.46  55.957% * 24.8336% (0.49   1.88  12.64) =  59.805%  kept
          QB    ALA   88 - QG2   ILE   89   5.31 +/- 0.37  17.036% * 43.8597% (0.31   5.23   8.82) =  32.157%  kept
          HB3   ASP-  44 - QG2   ILE   89   7.95 +/- 1.01   6.446% * 15.6722% (0.87   0.66   0.02) =   4.348%  kept
          HB3   PRO   93 - QG2   ILE   89   7.19 +/- 0.66   6.544% * 12.0266% (0.45   0.99   0.02) =   3.387%  kept
          HB3   LEU   80 - QG2   ILE   89   6.70 +/- 1.19   8.240% *  0.5388% (0.99   0.02   0.02) =   0.191%  kept
          HG2   LYS+ 111 - QG2   ILE   89  12.74 +/- 2.32   1.244% *  0.5246% (0.97   0.02   0.02) =   0.028%
          HB2   LEU   63 - QG2   ILE   89  13.09 +/- 2.16   1.140% *  0.5142% (0.95   0.02   0.02) =   0.025%
          HG    LEU   98 - QG2   ILE   89  12.18 +/- 1.61   1.561% *  0.3297% (0.61   0.02   0.02) =   0.022%
          HB2   LEU   31 - QG2   ILE   89  14.08 +/- 2.72   0.859% *  0.5388% (0.99   0.02   0.02) =   0.020%
          HG2   LYS+  99 - QG2   ILE   89  17.15 +/- 0.91   0.415% *  0.4154% (0.76   0.02   0.02) =   0.007%
          QB    ALA  124 - QG2   ILE   89  19.66 +/- 1.83   0.319% *  0.3947% (0.73   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QG2   ILE   89  20.93 +/- 1.39   0.240% *  0.3516% (0.65   0.02   0.02) =   0.004%
    Distance limit 3.45 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.83, residual support = 216.0:
      O T HG13  ILE   89 - QG2   ILE   89   2.67 +/- 0.37 100.000% *100.0000% (0.98  10.0 10.00   5.83 215.96) = 100.000%  kept
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.918, support = 6.33, residual support = 211.2:
        T QD1   ILE   89 - QG2   ILE   89   1.98 +/- 0.25  87.145% * 85.9864% (0.92 10.00   6.46 215.96) =  97.799%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.59 +/- 0.96  12.051% * 13.9903% (0.69 10.00   0.44   0.02) =   2.201%  kept
          QD2   LEU   31 - QG2   ILE   89  10.40 +/- 2.04   0.804% *  0.0232% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.53, residual support = 215.9:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.02  85.903% * 99.4549% (0.92  10.0 10.00   5.54 215.96) =  99.988%  kept
          QG2   VAL   83 - HG12  ILE   89   5.71 +/- 1.43  12.101% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.010%
        T QD1   ILE   89 - HG3   LYS+  99  14.79 +/- 1.36   0.292% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG12  ILE   89  12.55 +/- 2.53   0.559% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  15.26 +/- 2.77   0.362% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  11.58 +/- 2.08   0.783% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.14, residual support = 216.0:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00  99.916% * 99.5961% (0.98  10.0 10.00   5.14 215.96) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  18.99 +/- 1.58   0.084% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 5.23, residual support = 213.9:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.02  85.925% * 94.0527% (0.90  10.0 10.00   5.27 215.96) =  99.032%  kept
          QG2   VAL   83 - HG13  ILE   89   5.60 +/- 1.65  13.452% *  5.8712% (1.00   1.0  1.00   1.12   0.02) =   0.968%  kept
          QD2   LEU   31 - HG13  ILE   89  12.30 +/- 2.62   0.623% *  0.0762% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.83, residual support = 216.0:
      O T QG2   ILE   89 - HG13  ILE   89   2.67 +/- 0.37  90.232% * 99.9734% (0.84  10.0 10.00   5.83 215.96) =  99.997%  kept
          QG1   VAL   83 - HG13  ILE   89   7.11 +/- 1.63   9.768% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.486, support = 4.97, residual support = 215.8:
      O T HB    ILE   89 - HG13  ILE   89   2.67 +/- 0.32  91.993% * 98.8208% (0.49  10.0 10.00   4.97 215.96) =  99.939%  kept
        T HB    VAL   43 - HG13  ILE   89   7.52 +/- 1.52   5.419% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.059%
          QD    LYS+  81 - HG13  ILE   89  10.72 +/- 1.64   1.838% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HG13  ILE   89  17.59 +/- 1.54   0.354% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  17.15 +/- 1.40   0.396% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 215.9:
          HN    ILE   89 - HG13  ILE   89   3.29 +/- 0.89  96.797% * 98.7792% (0.76   5.52 215.96) =  99.988%  kept
          HN    CYS   21 - HG13  ILE   89  17.06 +/- 3.52   1.176% *  0.4200% (0.90   0.02   0.02) =   0.005%
          HN    ILE  119 - HG13  ILE   89  17.66 +/- 2.03   1.096% *  0.4430% (0.95   0.02   0.02) =   0.005%
          HN    SER   37 - HG13  ILE   89  23.24 +/- 1.74   0.373% *  0.2651% (0.57   0.02   0.02) =   0.001%
          HN    LYS+  33 - HG13  ILE   89  20.47 +/- 2.65   0.557% *  0.0927% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.74, residual support = 215.9:
          HN    ILE   89 - HG12  ILE   89   2.72 +/- 0.52  93.080% * 98.2212% (0.76   5.74 215.96) =  99.988%  kept
          HN    SER   37 - HG3   LYS+  99  11.83 +/- 2.39   3.164% *  0.1028% (0.23   0.02   0.02) =   0.004%
          HN    CYS   21 - HG12  ILE   89  17.62 +/- 3.53   0.561% *  0.4014% (0.90   0.02   0.02) =   0.002%
          HN    ILE  119 - HG12  ILE   89  17.94 +/- 2.15   0.504% *  0.4234% (0.95   0.02   0.02) =   0.002%
          HN    ILE  119 - HG3   LYS+  99  18.50 +/- 4.07   0.447% *  0.1717% (0.38   0.02   0.02) =   0.001%
          HN    CYS   21 - HG3   LYS+  99  20.26 +/- 2.08   0.333% *  0.1628% (0.36   0.02   0.02) =   0.001%
          HN    ILE   89 - HG3   LYS+  99  20.00 +/- 1.93   0.358% *  0.1387% (0.31   0.02   0.02) =   0.001%
          HN    SER   37 - HG12  ILE   89  23.42 +/- 1.66   0.179% *  0.2534% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  14.63 +/- 2.27   1.103% *  0.0359% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  20.73 +/- 2.50   0.271% *  0.0886% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 216.0:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 215.96) = 100.000%  kept
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.833, support = 6.44, residual support = 215.2:
        T QG2   ILE   89 - QD1   ILE   89   1.98 +/- 0.25  92.596% * 95.9637% (0.84 10.00   6.46 215.96) =  99.665%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.53 +/- 1.04   7.404% *  4.0363% (0.22 10.00   0.32   0.02) =   0.335%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.54, residual support = 215.9:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.02  95.064% * 99.2664% (1.00  10.0 10.00   5.54 215.96) =  99.996%  kept
        T HG3   LYS+  99 - QD1   ILE   89  14.79 +/- 1.36   0.323% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QD1   ILE   89  12.46 +/- 2.07   1.207% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   89  10.56 +/- 1.95   1.025% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD1   ILE   89  10.65 +/- 2.07   1.140% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  14.74 +/- 2.39   0.451% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  14.14 +/- 2.26   0.497% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  15.97 +/- 2.65   0.294% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.04, residual support = 203.7:
      O T HB    ILE   89 - QD1   ILE   89   2.60 +/- 0.43  76.832% * 80.6515% (0.49  10.0 10.00   5.31 215.96) =  94.323%  kept
        T HB    VAL   43 - QD1   ILE   89   5.02 +/- 1.40  19.421% * 19.1926% (0.49   1.0 10.00   0.48   0.02) =   5.674%  kept
          QD    LYS+  81 - QD1   ILE   89   9.36 +/- 0.98   2.472% *  0.0681% (0.41   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QD1   ILE   89  13.62 +/- 1.10   0.614% *  0.0622% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QD1   ILE   89  13.25 +/- 1.13   0.661% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.08:
        T HB3   MET   96 - QD1   ILE   89   4.06 +/- 1.09  80.804% * 99.2551% (0.53 10.00   1.50   5.08) =  99.958%  kept
          HB3   ARG+  54 - QD1   ILE   89  15.19 +/- 2.83   8.136% *  0.2182% (0.87  1.00   0.02   0.02) =   0.022%
          HB2   LEU   40 - QD1   ILE   89  13.99 +/- 1.02   2.709% *  0.2256% (0.90  1.00   0.02   0.02) =   0.008%
          HB    VAL   18 - QD1   ILE   89  14.73 +/- 3.90   3.723% *  0.1526% (0.61  1.00   0.02   0.02) =   0.007%
          HB2   LEU   67 - QD1   ILE   89  14.27 +/- 2.13   3.689% *  0.0858% (0.34  1.00   0.02   0.02) =   0.004%
          HB3   GLU-  14 - QD1   ILE   89  21.75 +/- 3.45   0.939% *  0.0627% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 1 structures by 0.51 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.762, support = 4.04, residual support = 18.9:
        T HB3   TRP   87 - QD1   ILE   89   2.69 +/- 0.51  83.155% * 98.3614% (0.76 10.00   4.05  18.94) =  99.711%  kept
          HG3   MET   96 - QD1   ILE   89   5.54 +/- 1.32  15.799% *  1.4953% (0.14  1.00   1.72   5.08) =   0.288%  kept
          HG3   GLN  116 - QD1   ILE   89  14.71 +/- 1.48   0.811% *  0.1075% (0.84  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - QD1   ILE   89  20.91 +/- 1.63   0.235% *  0.0358% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.489, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  11.31 +/- 2.06  53.685% * 62.4025% (0.57   0.02   0.02) =  65.798%  kept
          HB    THR  118 - QD1   ILE   89  12.04 +/- 1.67  46.315% * 37.5975% (0.34   0.02   0.02) =  34.202%  kept
    Distance limit 2.97 A violated in 20 structures by 7.08 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.95, residual support = 13.5:
          QD    PHE   45 - QD1   ILE   89   2.68 +/- 0.64  97.946% * 96.6253% (0.45   2.95  13.52) =  99.972%  kept
          HD2   HIS  122 - QD1   ILE   89  14.47 +/- 2.18   1.017% *  1.4464% (0.99   0.02   0.02) =   0.016%
          HE22  GLN  116 - QD1   ILE   89  16.22 +/- 1.84   0.704% *  1.4304% (0.98   0.02   0.02) =   0.011%
          HE22  GLN   17 - QD1   ILE   89  20.38 +/- 3.32   0.333% *  0.4978% (0.34   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.861, support = 2.41, residual support = 18.9:
          HN    TRP   87 - QD1   ILE   89   4.54 +/- 0.37  56.427% * 79.4119% (0.97   2.46  18.94) =  84.888%  kept
          HE3   TRP   87 - QD1   ILE   89   5.09 +/- 0.47  41.280% * 19.2886% (0.28   2.08  18.94) =  15.084%  kept
          HD21  ASN   69 - QD1   ILE   89  16.35 +/- 1.41   1.301% *  0.6317% (0.95   0.02   0.02) =   0.016%
          HN    GLN   17 - QD1   ILE   89  18.50 +/- 3.07   0.993% *  0.6678% (1.00   0.02   0.02) =   0.013%
    Distance limit 3.96 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 215.9:
          HN    ILE   89 - QD1   ILE   89   3.43 +/- 0.39  93.796% * 98.8552% (0.76   5.89 215.96) =  99.978%  kept
          HN    CYS   21 - QD1   ILE   89  13.35 +/- 2.76   2.668% *  0.3938% (0.90   0.02   0.02) =   0.011%
          HN    ILE  119 - QD1   ILE   89  13.83 +/- 1.34   1.730% *  0.4154% (0.95   0.02   0.02) =   0.008%
          HN    SER   37 - QD1   ILE   89  18.37 +/- 1.32   0.712% *  0.2486% (0.57   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE   89  16.24 +/- 2.07   1.093% *  0.0869% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.68, residual support = 89.2:
          HN    GLN   90 - QG    GLN   90   3.01 +/- 0.90  96.225% * 99.2284% (0.69   5.68  89.25) =  99.986%  kept
          HN    GLY  109 - QG    GLN   90  11.17 +/- 3.77   2.915% *  0.3495% (0.69   0.02   0.02) =   0.011%
          HN    ILE  103 - QG    GLN   90  16.80 +/- 1.96   0.861% *  0.4221% (0.83   0.02   0.02) =   0.004%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 89.2:
      O   HN    GLN   90 - HB3   GLN   90   3.09 +/- 0.40  93.135% * 99.8365% (0.83  10.0   5.59  89.25) =  99.997%  kept
          HN    GLY  109 - HB3   GLN   90  12.03 +/- 3.57   4.311% *  0.0280% (0.23   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HB3   GLN   90  12.06 +/- 1.60   2.104% *  0.0452% (0.37   1.0   0.02   0.02) =   0.001%
          HN    ILE  103 - HB3   GLN   90  19.39 +/- 2.19   0.450% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 4.15, residual support = 56.6:
      O   HN    GLU-  79 - HB3   GLU-  79   2.88 +/- 0.52  84.056% * 94.8688% (0.16  10.0   4.16  56.64) =  99.845%  kept
          HN    THR   94 - HB2   GLN   90  10.47 +/- 0.72   2.297% *  3.8396% (0.55   1.0   0.24   0.02) =   0.110%  kept
          HN    SER   85 - HB2   GLN   90   8.79 +/- 1.36   3.948% *  0.3603% (0.61   1.0   0.02   0.02) =   0.018%
          HN    SER   85 - HB3   GLU-  79  10.76 +/- 1.56   5.209% *  0.2608% (0.44   1.0   0.02   0.02) =   0.017%
          HN    THR   94 - HB3   GLU-  79  13.55 +/- 2.14   1.711% *  0.2344% (0.40   1.0   0.02   0.02) =   0.005%
          HN    GLU-  79 - HB2   GLN   90  13.49 +/- 2.44   1.719% *  0.1311% (0.22   1.0   0.02   0.02) =   0.003%
          HN    GLN   32 - HB3   GLU-  79  16.24 +/- 4.66   0.875% *  0.1281% (0.22   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   GLN   90  24.04 +/- 3.23   0.186% *  0.1770% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.39, residual support = 56.6:
      O T HA    GLU-  79 - HB3   GLU-  79   2.66 +/- 0.17  79.064% * 97.1719% (0.57  10.0 10.00   4.40  56.64) =  99.962%  kept
        T HA    GLU-  79 - HB2   GLN   90  14.72 +/- 2.33   0.721% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.013%
          HB    THR   77 - HB2   GLN   90   9.32 +/- 3.22   5.398% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.008%
          HA    SER   85 - HB2   GLN   90   7.58 +/- 1.31   4.998% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.007%
          HB    THR   77 - HB3   GLU-  79   8.12 +/- 0.69   3.077% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASP-  44 - HB3   GLU-  79  12.25 +/- 1.63   1.415% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HB3   GLU-  79  13.29 +/- 1.62   0.975% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE  103 - HB3   GLU-  79  18.91 +/- 3.89   0.859% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HB2   GLN   90  13.70 +/- 1.62   0.760% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   39 - HB3   GLU-  79  20.18 +/- 4.15   0.622% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   GLN   90  19.05 +/- 3.74   0.341% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB3   GLU-  79  19.67 +/- 4.19   0.328% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.43 +/- 1.65   0.228% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  24.91 +/- 7.59   0.392% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  19.46 +/- 4.99   0.424% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  21.13 +/- 3.71   0.260% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.50 +/- 1.93   0.079% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  36.40 +/- 6.89   0.060% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.621, support = 0.732, residual support = 0.7:
          QB    ALA   88 - QG    GLN   90   4.85 +/- 1.17  61.395% * 92.9579% (0.62   0.75   0.71) =  97.807%  kept
          QG2   THR   77 - QG    GLN   90   7.09 +/- 1.87  34.716% *  3.5472% (0.88   0.02   0.02) =   2.110%  kept
          QG2   THR   23 - QG    GLN   90  16.08 +/- 3.44   2.551% *  1.3582% (0.34   0.02   0.02) =   0.059%
          HG2   LYS+  99 - QG    GLN   90  22.01 +/- 1.15   0.813% *  0.9024% (0.22   0.02   0.02) =   0.013%
          HG2   LYS+  38 - QG    GLN   90  26.25 +/- 1.92   0.525% *  1.2344% (0.31   0.02   0.02) =   0.011%
    Distance limit 3.52 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 = 0.634, support = 0.02, residual support = 0.02:
          HB3   LYS+ 111 - QG    GLN   90  15.14 +/- 2.83  12.135% * 17.3580% (0.90   0.02   0.02) =  29.676%  kept
          QG    LYS+  81 - QG    GLN   90   7.69 +/- 2.23  45.075% *  3.4351% (0.18   0.02   0.02) =  21.813%  kept
          HD3   LYS+  74 - QG    GLN   90  16.25 +/- 1.59   5.570% * 17.3194% (0.89   0.02   0.02) =  13.590%  kept
          HG    LEU  104 - QG    GLN   90  18.82 +/- 2.01   4.169% * 17.0143% (0.88   0.02   0.02) =   9.993%  kept
          HB3   LYS+ 121 - QG    GLN   90  21.40 +/- 3.04   3.416% * 17.0143% (0.88   0.02   0.02) =   8.189%  kept
          HG2   LYS+ 106 - QG    GLN   90  13.68 +/- 2.82  17.313% *  2.6782% (0.14   0.02   0.02) =   6.532%  kept
          QD    LYS+  66 - QG    GLN   90  21.14 +/- 2.25   2.838% *  9.8273% (0.51   0.02   0.02) =   3.928%  kept
          HG2   LYS+  33 - QG    GLN   90  22.93 +/- 2.44   2.360% *  8.4490% (0.44   0.02   0.02) =   2.809%  kept
          HD2   LYS+ 121 - QG    GLN   90  21.20 +/- 3.06   3.599% *  3.8645% (0.20   0.02   0.02) =   1.960%  kept
          HG2   LYS+  65 - QG    GLN   90  21.39 +/- 3.85   3.524% *  3.0399% (0.16   0.02   0.02) =   1.509%  kept
    Distance limit 3.76 A violated in 17 structures by 3.46 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.727, support = 2.92, residual support = 60.3:
      O   HG3   MET   92 - HB2   MET   92   2.75 +/- 0.28  90.074% * 77.6200% (0.73  10.0  1.00   2.96  61.21) =  98.590%  kept
        T QG    GLN   90 - HB2   MET   92   8.33 +/- 1.07   4.867% * 20.4321% (0.80   1.0 10.00   0.48   0.12) =   1.402%  kept
        T HB2   ASP- 105 - HB2   MET   92  17.41 +/- 1.53   0.438% *  0.3646% (0.34   1.0 10.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - HB2   MET   92  16.51 +/- 2.64   1.155% *  0.1067% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T QG    GLU-  14 - HB2   MET   92  26.19 +/- 3.94   0.129% *  0.6915% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   MET   92  12.39 +/- 1.54   1.243% *  0.0648% (0.61   1.0  1.00   0.02   0.02) =   0.001%
        T QG    GLU-  15 - HB2   MET   92  25.63 +/- 2.85   0.141% *  0.5203% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HB2   MET   92  13.47 +/- 4.28   1.395% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.73 +/- 1.61   0.331% *  0.0776% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  25.93 +/- 2.68   0.129% *  0.0893% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.58 +/- 1.29   0.099% *  0.0145% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 61.2:
      O   HN    MET   92 - HB2   MET   92   2.71 +/- 0.69  79.997% * 99.7272% (0.92  10.0   3.65  61.21) =  99.978%  kept
          HN    THR   46 - HB2   MET   92   8.04 +/- 1.95  14.702% *  0.1078% (1.00   1.0   0.02   0.02) =   0.020%
          HN    LYS+ 112 - HB2   MET   92  10.78 +/- 2.44   4.606% *  0.0300% (0.28   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB2   MET   92  16.63 +/- 2.08   0.605% *  0.0865% (0.80   1.0   0.02   0.02) =   0.001%
          HN    MET   11 - HB2   MET   92  34.07 +/- 7.09   0.090% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 61.2:
      O T HA    MET   92 - HB2   MET   92   2.89 +/- 0.19  99.412% * 99.8006% (0.61  10.0 10.00   3.87  61.21) =  99.999%  kept
          HA    HIS  122 - HB2   MET   92  23.00 +/- 2.75   0.270% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  20.06 +/- 1.10   0.318% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 61.2:
      O   HG3   MET   92 - HB3   MET   92   2.51 +/- 0.23  92.918% * 96.8063% (0.73  10.0   3.29  61.21) =  99.929%  kept
          QG    GLN   90 - HB3   MET   92   9.12 +/- 1.00   2.392% *  2.5337% (0.80   1.0   0.47   0.12) =   0.067%
          HG12  ILE  119 - HB3   MET   92  15.23 +/- 2.69   1.042% *  0.1330% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB3   MET   92  11.27 +/- 1.36   1.331% *  0.0809% (0.61   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HB3   MET   92  17.66 +/- 1.49   0.298% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  13.11 +/- 4.38   1.208% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  16.72 +/- 1.42   0.377% *  0.0455% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  25.30 +/- 3.77   0.133% *  0.0862% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.43 +/- 2.35   0.099% *  0.1114% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  24.69 +/- 2.51   0.117% *  0.0649% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.91 +/- 1.27   0.084% *  0.0180% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.23, residual support = 61.2:
      O T HA    MET   92 - HB3   MET   92   2.83 +/- 0.16  99.348% * 99.8006% (0.61  10.0 10.00   4.23  61.21) =  99.999%  kept
          HA    HIS  122 - HB3   MET   92  21.91 +/- 2.72   0.324% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  19.23 +/- 0.82   0.329% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 61.2:
      O T HA    MET   92 - HG2   MET   92   2.51 +/- 0.50  99.573% * 99.8006% (0.61  10.0 10.00   2.49  61.21) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  23.82 +/- 2.84   0.180% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  20.10 +/- 1.23   0.247% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.398, support = 0.559, residual support = 2.82:
          HB2   SER   37 - QG2   THR   39   3.18 +/- 0.84  66.081% * 41.0717% (0.30   0.64   4.21) =  65.800%  kept
          HA1   GLY   16 - QG2   THR   39   7.60 +/- 4.68  27.492% * 50.9573% (0.60   0.40   0.16) =  33.964%  kept
          HA    LYS+  66 - QG2   THR   39  11.21 +/- 1.74   3.290% *  1.9669% (0.46   0.02   0.02) =   0.157%  kept
          HA1   GLY   16 - QG2   THR   23  16.50 +/- 1.77   0.804% *  1.4410% (0.33   0.02   0.02) =   0.028%
          HA    LYS+  66 - QG2   THR   23  17.83 +/- 2.00   0.627% *  1.1037% (0.26   0.02   0.02) =   0.017%
          HB2   SER   37 - QG2   THR   23  15.99 +/- 1.75   0.733% *  0.7156% (0.17   0.02   0.02) =   0.013%
          HA    LYS+  66 - QB    ALA   91  19.95 +/- 3.37   0.536% *  0.9288% (0.22   0.02   0.02) =   0.012%
          HA1   GLY   16 - QB    ALA   91  24.12 +/- 2.90   0.229% *  1.2127% (0.28   0.02   0.02) =   0.007%
          HB2   SER   37 - QB    ALA   91  24.17 +/- 1.35   0.208% *  0.6022% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.45 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.922, support = 3.99, residual support = 60.8:
      O   HN    MET   92 - HB3   MET   92   3.57 +/- 0.40  75.172% * 97.3195% (0.92  10.0   4.01  61.21) =  99.335%  kept
          HN    THR   46 - HB3   MET   92   7.15 +/- 1.95  18.654% *  2.6182% (0.76   1.0   0.65   0.02) =   0.663%  kept
          HN    ASP- 113 - HB3   MET   92  11.65 +/- 2.03   5.178% *  0.0263% (0.25   1.0   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB3   MET   92  15.76 +/- 1.95   0.997% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.717, support = 0.02, residual support = 0.0266:
          HA    THR   46 - HB3   MET   92   6.01 +/- 1.63  53.290% * 16.4223% (0.80   0.02   0.02) =  75.095%  kept
          HA    GLN   90 - HB3   MET   92   8.73 +/- 0.30  22.336% *  3.5917% (0.18   0.02   0.12) =   6.884%  kept
          HA    PHE   55 - HB3   MET   92  14.14 +/- 4.29  12.246% *  6.3300% (0.31   0.02   0.02) =   6.652%  kept
          HA    VAL   42 - HB3   MET   92  15.91 +/- 0.77   3.808% * 18.3930% (0.90   0.02   0.02) =   6.010%  kept
          HA    GLN   17 - HB3   MET   92  23.24 +/- 4.15   1.153% * 17.7900% (0.87   0.02   0.02) =   1.760%  kept
          HA    PRO   58 - HB3   MET   92  16.58 +/- 3.40   3.920% *  5.1139% (0.25   0.02   0.02) =   1.720%  kept
          HA    SER   37 - HB3   MET   92  30.10 +/- 1.23   0.565% * 17.7900% (0.87   0.02   0.02) =   0.863%  kept
          HA    LEU   40 - HB3   MET   92  22.27 +/- 0.81   1.361% *  3.1644% (0.15   0.02   0.02) =   0.369%  kept
          HA    GLU-  15 - HB3   MET   92  26.74 +/- 2.79   0.750% *  5.7022% (0.28   0.02   0.02) =   0.367%  kept
          HA    SER   13 - HB3   MET   92  30.78 +/- 3.67   0.572% *  5.7022% (0.28   0.02   0.02) =   0.280%  kept
    Distance limit 4.25 A violated in 10 structures by 1.46 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 61.2:
      O T HA    MET   92 - HG3   MET   92   3.07 +/- 0.54  98.300% * 99.9198% (0.99  10.0 10.00   3.97  61.21) =  99.999%  kept
          HA    LYS+  74 - HG3   MET   92  14.72 +/- 2.95   1.328% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    HIS  122 - HG3   MET   92  23.64 +/- 3.14   0.372% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 61.1:
          HN    MET   92 - HG3   MET   92   3.97 +/- 0.48  73.769% * 99.2221% (0.92   3.74  61.21) =  99.865%  kept
          HN    THR   46 - HG3   MET   92   7.93 +/- 2.09  20.554% *  0.4389% (0.76   0.02   0.02) =   0.123%  kept
          HN    ASP- 113 - HG3   MET   92  13.21 +/- 2.51   4.276% *  0.1432% (0.25   0.02   0.02) =   0.008%
          HN    LYS+  74 - HG3   MET   92  16.37 +/- 2.30   1.402% *  0.1959% (0.34   0.02   0.02) =   0.004%
    Distance limit 4.39 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 = 0.392, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB2   PRO   93   6.58 +/- 0.80  70.115% * 67.4545% (0.41   0.02   0.02) =  93.168%  kept
          HN    LYS+  65 - HB2   PRO   93  14.09 +/- 3.23  11.113% * 25.3164% (0.15   0.02   0.02) =   5.542%  kept
          QD    PHE   45 - HG3   GLN   30  14.33 +/- 2.33   8.665% *  5.2564% (0.03   0.02   0.02) =   0.897%  kept
          HN    LYS+  65 - HG3   GLN   30  14.23 +/- 2.25  10.107% *  1.9728% (0.01   0.02   0.02) =   0.393%  kept
    Distance limit 4.36 A violated in 16 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.37, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.80 +/- 0.15  91.312% * 99.8806% (1.00  10.0   4.37  15.60) =  99.996%  kept
          HN    GLU-  79 - HB2   PRO   93  13.92 +/- 2.97   3.720% *  0.0727% (0.73   1.0   0.02   0.02) =   0.003%
          HN    SER   85 - HB2   PRO   93  15.18 +/- 1.15   1.496% *  0.0309% (0.31   1.0   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG3   GLN   30  15.38 +/- 3.06   1.681% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.69 +/- 2.03   0.901% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  19.13 +/- 3.62   0.891% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.395, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   7.83 +/- 0.55  84.702% * 72.7108% (0.41   0.02   0.02) =  93.652%  kept
          HN    LYS+  65 - HG2   PRO   93  15.83 +/- 3.42  15.298% * 27.2892% (0.15   0.02   0.02) =   6.348%  kept
    Distance limit 4.19 A violated in 20 structures by 3.60 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 = 132.4:
      O   HB2   PRO   93 - HG3   PRO   93   2.64 +/- 0.24  94.276% * 98.6893% (0.84  10.0  1.00   5.30 132.41) =  99.992%  kept
          HB    ILE  119 - HG3   PRO   93  14.79 +/- 2.81   1.935% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HG3   PRO   93  11.37 +/- 2.84   1.670% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB    VAL  108 - HG3   PRO   93  12.32 +/- 1.83   1.384% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.002%
        T HG3   GLN   30 - HG3   PRO   93  22.80 +/- 2.67   0.161% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - HG3   PRO   93  21.96 +/- 2.70   0.180% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  27.00 +/- 1.48   0.091% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  21.53 +/- 2.34   0.193% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  32.55 +/- 6.17   0.111% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  94.019% * 96.9677% (0.99  10.0 10.00   3.97 132.41) =  99.993%  kept
        T QB    LYS+  65 - HG3   PRO   93  14.44 +/- 4.01   0.376% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PRO   52 - HG3   PRO   93   9.90 +/- 4.19   4.790% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU  123 - HG3   PRO   93  19.46 +/- 3.78   0.226% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - HG3   PRO   93  19.61 +/- 1.95   0.077% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - HG3   PRO   93  21.50 +/- 1.02   0.052% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.56 +/- 3.19   0.200% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.39 +/- 3.99   0.118% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.41 +/- 1.40   0.086% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  23.01 +/- 4.26   0.056% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.93, residual support = 129.1:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  81.723% * 75.8880% (0.95  10.0 10.00   3.97 132.41) =  97.457%  kept
          HB3   MET   92 - HG2   PRO   93   4.42 +/- 0.30   5.382% * 16.3865% (0.92   1.0  1.00   4.43   1.93) =   1.386%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.28 +/- 4.04  11.665% *  6.3009% (0.98   1.0 10.00   0.16   0.02) =   1.155%  kept
        T QD    LYS+  65 - HG2   PRO   93  16.33 +/- 4.02   0.192% *  0.1786% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   PRO   93  21.27 +/- 1.68   0.049% *  0.6424% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  16.29 +/- 3.72   0.376% *  0.0642% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.96 +/- 1.25   0.227% *  0.0487% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.05 +/- 1.67   0.026% *  0.3298% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.63 +/- 2.91   0.090% *  0.0774% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.96 +/- 1.07   0.113% *  0.0223% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.87 +/- 1.10   0.050% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.77 +/- 1.84   0.106% *  0.0159% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.4:
      O   HD3   PRO   93 - HG3   PRO   93   2.42 +/- 0.23  81.363% * 99.5358% (0.97  10.0   3.97 132.41) =  99.978%  kept
          QB    PHE   55 - HG3   PRO   93   9.72 +/- 4.37  11.914% *  0.1029% (1.00   1.0   0.02   0.02) =   0.015%
          HB3   CYS   53 - HG3   PRO   93   8.75 +/- 2.69   4.217% *  0.0861% (0.84   1.0   0.02   0.02) =   0.004%
          HB2   PHE   59 - HG3   PRO   93  11.62 +/- 3.00   1.278% *  0.0952% (0.92   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HG3   PRO   93  12.82 +/- 3.41   0.997% *  0.0788% (0.76   1.0   0.02   0.02) =   0.001%
          HD3   PRO   68 - HG3   PRO   93  19.44 +/- 2.86   0.231% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.75 +/- 0.23  97.042% * 99.4436% (0.25  10.0   3.97 132.41) =  99.990%  kept
          HA    THR   77 - HG3   PRO   93  11.85 +/- 2.87   2.431% *  0.3681% (0.92   1.0   0.02   0.02) =   0.009%
          HB2   TRP   27 - HG3   PRO   93  19.22 +/- 2.89   0.334% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.57 +/- 2.31   0.194% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  15.49 +/- 3.41 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.24 A violated in 20 structures by 11.25 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.02, residual support = 0.555:
          HN    ALA  110 - HD2   PRO   93   9.00 +/- 3.47  42.002% * 45.6992% (0.71   0.02   1.03) =  53.159%  kept
          HN    PHE   45 - HD2   PRO   93   8.25 +/- 0.58  40.056% * 38.9422% (0.61   0.02   0.02) =  43.200%  kept
          HN    ASP-  44 - HD2   PRO   93  12.03 +/- 1.13  15.467% *  7.1936% (0.11   0.02   0.02) =   3.081%  kept
          HN    GLU-  25 - HD2   PRO   93  21.78 +/- 3.19   2.475% *  8.1650% (0.13   0.02   0.02) =   0.560%  kept
    Distance limit 4.30 A violated in 16 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.428, support = 0.02, residual support = 0.02:
          HA1   GLY  109 - HD2   PRO   93   9.76 +/- 2.53  39.760% * 14.0670% (0.38   0.02   0.02) =  38.040%  kept
          HA    CYS   50 - HD2   PRO   93  10.78 +/- 2.71  31.377% * 13.0143% (0.35   0.02   0.02) =  27.774%  kept
          HA    TRP   49 - HD2   PRO   93  12.69 +/- 1.78  16.901% * 18.3659% (0.50   0.02   0.02) =  21.111%  kept
          HA    CYS   21 - HD2   PRO   93  20.95 +/- 2.85   3.822% * 23.1925% (0.63   0.02   0.02) =   6.029%  kept
          HA    LYS+ 102 - HD2   PRO   93  22.39 +/- 0.92   2.977% * 26.6778% (0.72   0.02   0.02) =   5.401%  kept
          HA    ALA   20 - HD2   PRO   93  19.00 +/- 3.18   5.164% *  4.6825% (0.13   0.02   0.02) =   1.645%  kept
    Distance limit 4.25 A violated in 19 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.682, support = 0.688, residual support = 0.992:
          QB    ALA  110 - HD2   PRO   93   7.61 +/- 3.96  32.635% * 82.4019% (0.69   0.71   1.03) =  96.630%  kept
          QB    ALA   61 - HD2   PRO   93  12.96 +/- 3.09  12.158% *  2.4434% (0.72   0.02   0.02) =   1.067%  kept
          HG    LEU   80 - HD2   PRO   93  15.51 +/- 1.82   5.069% *  2.3633% (0.70   0.02   0.02) =   0.430%  kept
          QG    LYS+  66 - HD2   PRO   93  17.96 +/- 3.06   4.553% *  1.9608% (0.58   0.02   0.02) =   0.321%  kept
          HG    LEU   73 - HD2   PRO   93  17.05 +/- 3.18   5.807% *  1.4853% (0.44   0.02   0.02) =   0.310%  kept
          HB2   LEU   80 - HD2   PRO   93  14.37 +/- 1.66   6.612% *  1.1920% (0.35   0.02   0.02) =   0.283%  kept
          HB3   LEU  115 - HD2   PRO   93  10.53 +/- 1.56  17.548% *  0.4289% (0.13   0.02   0.02) =   0.270%  kept
          HB3   LEU   67 - HD2   PRO   93  19.03 +/- 2.61   3.159% *  2.3165% (0.69   0.02   0.02) =   0.263%  kept
          HB3   LYS+  74 - HD2   PRO   93  15.86 +/- 2.31   5.086% *  0.7558% (0.22   0.02   0.02) =   0.138%  kept
          HG12  ILE   19 - HD2   PRO   93  22.19 +/- 2.86   1.633% *  2.1961% (0.65   0.02   0.02) =   0.129%  kept
          HD3   LYS+ 121 - HD2   PRO   93  19.40 +/- 2.33   2.452% *  0.8353% (0.25   0.02   0.02) =   0.074%
          HG2   LYS+ 102 - HD2   PRO   93  24.05 +/- 1.56   1.241% *  1.1920% (0.35   0.02   0.02) =   0.053%
          HG    LEU   40 - HD2   PRO   93  19.91 +/- 1.14   2.047% *  0.4289% (0.13   0.02   0.02) =   0.032%
    Distance limit 3.84 A violated in 12 structures by 2.32 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.407, support = 1.96, residual support = 9.65:
          QB    ALA  110 - HD3   PRO   93   8.21 +/- 3.65  15.864% * 56.6142% (0.78   0.75   1.03) =  47.272%  kept
          HB3   LEU   67 - HD3   PRO   68   4.27 +/- 0.79  34.250% * 25.5367% (0.08   3.39  19.91) =  46.035%  kept
          QG    LYS+  66 - HD3   PRO   68   4.84 +/- 1.61  28.867% *  3.9634% (0.05   0.83   0.02) =   6.022%  kept
          QB    ALA   61 - HD3   PRO   93  12.54 +/- 2.96   2.918% *  1.1259% (0.58   0.02   0.02) =   0.173%  kept
          HB2   LEU   80 - HD3   PRO   93  14.23 +/- 1.69   0.975% *  1.6464% (0.85   0.02   0.02) =   0.084%
          HB3   LYS+  74 - HD3   PRO   93  15.45 +/- 2.24   1.112% *  1.3936% (0.72   0.02   0.02) =   0.082%
          HG    LEU   80 - HD3   PRO   93  15.31 +/- 1.68   0.836% *  1.4537% (0.75   0.02   0.02) =   0.064%
          HD3   LYS+ 121 - HD3   PRO   93  19.75 +/- 2.15   0.439% *  1.4537% (0.75   0.02   0.02) =   0.034%
          QB    ALA   61 - HD3   PRO   68   9.80 +/- 1.30   3.014% *  0.2004% (0.10   0.02   0.02) =   0.032%
          HG12  ILE   19 - HD3   PRO   93  21.97 +/- 2.84   0.305% *  1.6066% (0.83   0.02   0.02) =   0.026%
          QB    LEU   98 - HD3   PRO   93  17.10 +/- 0.95   0.532% *  0.9157% (0.47   0.02   0.02) =   0.026%
          HD3   LYS+ 121 - HD3   PRO   68  15.24 +/- 4.43   1.774% *  0.2587% (0.13   0.02   0.02) =   0.024%
          HB3   LEU   67 - HD3   PRO   93  19.10 +/- 2.53   0.460% *  0.8472% (0.44   0.02   0.02) =   0.021%
          HG12  ILE   19 - HD3   PRO   68  12.92 +/- 2.27   1.123% *  0.2859% (0.15   0.02   0.02) =   0.017%
          QB    ALA  110 - HD3   PRO   68  18.02 +/- 3.17   1.110% *  0.2687% (0.14   0.02   0.02) =   0.016%
          QG    LYS+  66 - HD3   PRO   93  17.90 +/- 2.93   0.525% *  0.5372% (0.28   0.02   0.02) =   0.015%
          HB3   LYS+  74 - HD3   PRO   68  13.35 +/- 2.43   1.122% *  0.2480% (0.13   0.02   0.02) =   0.015%
          QB    LEU   98 - HD3   PRO   68  13.41 +/- 1.66   1.323% *  0.1630% (0.08   0.02   0.02) =   0.011%
          HG    LEU   73 - HD3   PRO   93  16.87 +/- 3.17   0.662% *  0.3048% (0.16   0.02   0.02) =   0.011%
          HG    LEU   80 - HD3   PRO   68  19.00 +/- 2.86   0.485% *  0.2587% (0.13   0.02   0.02) =   0.007%
          HB2   LEU   80 - HD3   PRO   68  19.51 +/- 2.52   0.405% *  0.2930% (0.15   0.02   0.02) =   0.006%
          QB    ALA   12 - HD3   PRO   93  26.81 +/- 4.10   0.171% *  0.4839% (0.25   0.02   0.02) =   0.004%
          HG    LEU   73 - HD3   PRO   68  14.70 +/- 1.76   1.140% *  0.0542% (0.03   0.02   0.02) =   0.003%
          QB    ALA   12 - HD3   PRO   68  16.71 +/- 3.12   0.586% *  0.0861% (0.04   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   3.09 +/- 0.78 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.22 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.77, support = 2.0, residual support = 5.49:
          QD1   ILE   89 - HB    THR   94   2.75 +/- 0.86  88.664% * 98.9959% (0.77   2.00   5.50) =  99.913%  kept
          QG2   VAL   83 - HB    THR   94   7.44 +/- 1.29   9.808% *  0.7366% (0.57   0.02   0.02) =   0.082%
          QD2   LEU   31 - HB    THR   94  12.65 +/- 2.00   1.527% *  0.2674% (0.21   0.02   0.02) =   0.005%
    Distance limit 3.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.2:
        T HB2   PHE   45 - HB    THR   94   3.01 +/- 0.57  94.573% * 99.8423% (0.81 10.00   2.96  27.16) =  99.995%  kept
          QE    LYS+ 111 - HB    THR   94  11.95 +/- 2.37   4.030% *  0.1032% (0.83  1.00   0.02   0.02) =   0.004%
          HB2   CYS   21 - HB    THR   94  16.28 +/- 2.98   1.397% *  0.0544% (0.44  1.00   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.07 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  13.40 +/- 2.27 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.02 A violated in 20 structures by 10.38 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 = 25.2:
      O   HN    THR   94 - HB    THR   94   2.79 +/- 0.22  96.502% * 99.8964% (0.83  10.0   3.08  25.19) =  99.998%  kept
          HN    GLU-  79 - HB    THR   94  11.97 +/- 1.68   1.455% *  0.0727% (0.61   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB    THR   94  10.65 +/- 1.11   2.043% *  0.0309% (0.26   1.0   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.805, support = 3.28, residual support = 27.0:
          HN    PHE   45 - HB    THR   94   3.94 +/- 0.71  87.562% * 96.1249% (0.81   3.30  27.16) =  99.431%  kept
          HN    ALA  110 - HB    THR   94  10.22 +/- 2.85  12.438% *  3.8751% (0.67   0.16   0.02) =   0.569%  kept
    Distance limit 4.27 A violated in 0 structures by 0.07 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   5.51 +/- 0.85 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.53 A violated in 15 structures by 2.00 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.44, residual support = 14.9:
          HN    PHE   95 - QG2   THR   94   2.33 +/- 0.35 100.000% *100.0000% (0.97   4.44  14.94) = 100.000%  kept
    Distance limit 3.21 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 = 0.654, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  11.89 +/- 1.24  23.130% * 27.7167% (0.84   0.02   0.02) =  36.565%  kept
          HA    TRP   87 - HA    PHE   95  11.59 +/- 1.18  23.023% * 25.3593% (0.76   0.02   0.02) =  33.301%  kept
          HA    PHE   59 - HA    PHE   95  10.29 +/- 2.70  35.654% *  8.2742% (0.25   0.02   0.02) =  16.826%  kept
          HA    ASP-  86 - HA    PHE   95  14.71 +/- 0.87  11.908% * 12.4539% (0.38   0.02   0.02) =   8.458%  kept
          HA    GLU-  14 - HA    PHE   95  22.99 +/- 2.91   3.904% * 14.8769% (0.45   0.02   0.02) =   3.313%  kept
          HA    ALA   12 - HA    PHE   95  27.22 +/- 3.81   2.381% * 11.3190% (0.34   0.02   0.02) =   1.537%  kept
    Distance limit 3.56 A violated in 20 structures by 5.08 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.4:
          QD    PHE   95 - HA    PHE   95   2.75 +/- 0.44  96.415% * 99.8140% (0.87   3.44  73.45) =  99.993%  kept
          HN    ALA   47 - HA    PHE   95  10.18 +/- 1.18   3.585% *  0.1860% (0.28   0.02   0.02) =   0.007%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.98, residual support = 11.9:
      O   HN    MET   96 - HA    PHE   95   2.20 +/- 0.02  98.597% * 99.9753% (0.80  10.0   3.98  11.94) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.11 +/- 2.26   1.403% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.32, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.32  73.45) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.39 +/- 0.14  98.957% * 99.9680% (0.87  10.0   3.00  73.45) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.60 +/- 1.36   1.043% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.53 +/- 0.17  98.632% * 99.9680% (0.87  10.0   3.31  73.45) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  11.45 +/- 1.54   1.368% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.65 +/- 0.08 100.000% *100.0000% (0.53  10.0   4.19  73.45) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.65 +/- 0.21 100.000% *100.0000% (0.53  10.0   3.86  73.45) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.832, support = 2.04, residual support = 42.9:
          QG2   VAL  107 - HB3   PHE   95   3.77 +/- 0.52  75.475% * 91.3597% (0.84   2.05  43.16) =  99.351%  kept
          HG13  ILE  103 - HB3   PHE   95   9.97 +/- 1.33   5.714% *  5.7976% (0.38   0.29   0.02) =   0.477%  kept
          HG2   LYS+ 121 - HB3   PHE   95  12.74 +/- 3.70   4.835% *  1.0462% (0.98   0.02   0.02) =   0.073%
          HG13  ILE  119 - HB3   PHE   95   8.96 +/- 2.11  11.237% *  0.4388% (0.41   0.02   0.02) =   0.071%
          QB    ALA   20 - HB3   PHE   95  14.77 +/- 2.28   1.495% *  0.9572% (0.90   0.02   0.02) =   0.021%
          HB3   LEU   31 - HB3   PHE   95  15.84 +/- 1.75   1.245% *  0.4006% (0.38   0.02   0.02) =   0.007%
    Distance limit 3.98 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.739, support = 1.43, residual support = 6.26:
          QD2   LEU  115 - HB3   PHE   95   5.35 +/- 1.07  33.494% * 48.3474% (0.90   1.30  10.51) =  53.195%  kept
          QD1   LEU   63 - HB3   PHE   95   6.50 +/- 2.66  32.452% * 39.9752% (0.57   1.71   1.56) =  42.616%  kept
          QD1   LEU   73 - HB3   PHE   95  11.25 +/- 2.71  15.134% *  6.4606% (0.57   0.28   0.02) =   3.212%  kept
          QG2   ILE   89 - HB3   PHE   95   8.68 +/- 0.61   6.807% *  3.0259% (0.15   0.47   0.02) =   0.677%  kept
          QD1   LEU  104 - HB3   PHE   95  10.04 +/- 1.21   6.419% *  0.8270% (1.00   0.02   0.02) =   0.174%  kept
          QD2   LEU   80 - HB3   PHE   95  12.98 +/- 1.71   2.734% *  0.7634% (0.92   0.02   0.02) =   0.069%
          QG1   VAL   83 - HB3   PHE   95  11.83 +/- 1.50   2.960% *  0.6005% (0.73   0.02   0.02) =   0.058%
    Distance limit 3.74 A violated in 3 structures by 0.60 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.614, support = 0.691, residual support = 0.886:
          QG1   VAL   42 - HB3   PHE   95   5.06 +/- 1.76  55.123% * 33.4329% (0.65   0.71   0.80) =  66.190%  kept
          QB    ALA   64 - HB3   PHE   95   8.74 +/- 1.28  17.070% * 31.3053% (0.53   0.82   0.37) =  19.193%  kept
          QB    ALA   47 - HB3   PHE   95  11.07 +/- 1.44   9.209% * 26.5027% (0.76   0.48   0.02) =   8.766%  kept
          HG2   LYS+ 112 - HB3   PHE   95   8.94 +/- 1.79  18.598% *  8.7591% (0.31   0.39   4.84) =   5.851%  kept
    Distance limit 3.76 A violated in 5 structures by 1.05 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.98, residual support = 43.1:
          QG2   VAL  107 - HB2   PHE   95   2.69 +/- 0.52  88.286% * 94.7983% (0.34   3.99  43.16) =  99.889%  kept
          HG13  ILE  119 - HB2   PHE   95   9.69 +/- 2.21   3.587% *  1.2509% (0.90   0.02   0.02) =   0.054%
          HD3   LYS+ 112 - HB2   PHE   95   8.54 +/- 1.64   4.474% *  0.3878% (0.28   0.02   4.84) =   0.021%
          HG2   LYS+ 121 - HB2   PHE   95  13.08 +/- 3.86   1.908% *  0.7896% (0.57   0.02   0.02) =   0.018%
          QB    ALA   20 - HB2   PHE   95  15.70 +/- 2.23   0.661% *  1.2875% (0.92   0.02   0.02) =   0.010%
          HB3   LEU   31 - HB2   PHE   95  16.61 +/- 1.67   0.480% *  1.2099% (0.87   0.02   0.02) =   0.007%
          QG1   VAL   24 - HB2   PHE   95  16.23 +/- 2.19   0.605% *  0.2760% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.90 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 = 4.16, residual support = 43.1:
        T HB    VAL  107 - HB2   PHE   95   2.41 +/- 0.66  86.689% * 97.8309% (0.80 10.00   4.16  43.16) =  99.852%  kept
          HB3   PHE   45 - HB2   PHE   95   8.33 +/- 1.39   6.958% *  1.2916% (0.38  1.00   0.56   2.00) =   0.106%  kept
          QE    LYS+ 112 - HB2   PHE   95   7.52 +/- 1.19   5.348% *  0.6592% (0.38  1.00   0.29   4.84) =   0.042%
          QG    GLU-  79 - HB2   PHE   95  16.38 +/- 2.06   0.448% *  0.0839% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.73 +/- 1.23   0.227% *  0.1156% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  18.27 +/- 0.89   0.330% *  0.0189% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.749, residual support = 5.49:
          QD1   ILE   89 - QG2   THR   94   2.29 +/- 0.83  91.491% * 97.3666% (0.92   0.75   5.50) =  99.850%  kept
          QG2   VAL   83 - QG2   THR   94   6.45 +/- 1.41   6.045% *  1.9321% (0.69   0.02   0.02) =   0.131%  kept
          QD2   LEU   31 - QG2   THR   94  10.44 +/- 1.79   2.464% *  0.7014% (0.25   0.02   0.02) =   0.019%
    Distance limit 3.15 A violated in 0 structures by 0.13 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   3.18 +/- 0.97 100.000% *100.0000% (0.97 10.00   1.07   2.14) = 100.000%  kept
    Distance limit 3.37 A violated in 2 structures by 0.29 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 44.2:
      O   HN    PHE   97 - HA    MET   96   2.27 +/- 0.07  98.668% * 99.8692% (0.88  10.0   6.07  44.15) =  99.999%  kept
          HN    LEU  115 - HA    MET   96  11.16 +/- 1.00   0.902% *  0.0999% (0.88   1.0   0.02   0.23) =   0.001%
          HN    ASP- 113 - HA    MET   96  14.22 +/- 0.94   0.430% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.38) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.94, residual support = 8.41:
        T QE    PHE   45 - HB2   MET   96   3.99 +/- 0.92  76.463% * 98.2671% (0.49 10.00   1.94   8.43) =  99.775%  kept
        T HZ    PHE   72 - HB2   MET   96   9.90 +/- 2.27   9.383% *  1.5900% (0.76 10.00   0.02   0.02) =   0.198%  kept
          QD    PHE   72 - HB2   MET   96   8.29 +/- 1.65  14.154% *  0.1429% (0.69  1.00   0.02   0.02) =   0.027%
    Distance limit 3.85 A violated in 1 structures by 0.41 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 44.1:
          HN    PHE   97 - HB2   MET   96   3.93 +/- 0.35  94.833% * 99.4517% (0.92   6.07  44.15) =  99.988%  kept
          HN    LEU  115 - HB2   MET   96  13.05 +/- 0.79   2.942% *  0.3276% (0.92   0.02   0.23) =   0.010%
          HN    ALA   12 - HB2   MET   96  27.21 +/- 5.25   0.484% *  0.1727% (0.49   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   MET   96  15.79 +/- 2.06   1.741% *  0.0480% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.03, residual support = 115.4:
      O   HN    MET   96 - HB2   MET   96   2.85 +/- 0.36 100.000% *100.0000% (0.65  10.0   4.03 115.38) = 100.000%  kept
    Distance limit 3.76 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 = 0.801, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  10.63 +/- 2.34  40.625% * 81.6578% (0.99   0.02   0.02) =  75.284%  kept
          QD    PHE   72 - HB3   MET   96   9.12 +/- 1.59  59.375% * 18.3422% (0.22   0.02   0.02) =  24.716%  kept
    Distance limit 3.70 A violated in 20 structures by 4.82 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   2.79 +/- 0.30 100.000% *100.0000% (0.65  10.0   3.97 115.38) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.75, support = 1.88, residual support = 13.7:
          QG1   VAL   43 - HB2   MET   96   2.98 +/- 1.08  60.013% * 62.9500% (0.73   2.00  15.25) =  89.827%  kept
          QG2   THR   46 - HB2   MET   96   8.97 +/- 1.58  11.932% * 34.2992% (0.98   0.81   0.13) =   9.731%  kept
          QD2   LEU  104 - HB2   MET   96   7.77 +/- 2.22  19.685% *  0.6942% (0.80   0.02   0.02) =   0.325%  kept
          QG1   VAL   41 - HB2   MET   96   8.07 +/- 1.04   5.131% *  0.4561% (0.53   0.02   0.02) =   0.056%
          QG2   VAL   18 - HB2   MET   96  12.94 +/- 3.09   1.929% *  0.8003% (0.92   0.02   0.02) =   0.037%
          QD1   ILE   19 - HB2   MET   96  13.94 +/- 2.41   1.310% *  0.8003% (0.92   0.02   0.02) =   0.025%
    Distance limit 4.00 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.752, support = 1.31, residual support = 3.82:
          QD1   ILE   89 - HB2   MET   96   5.04 +/- 0.86  55.497% * 57.0976% (0.69   1.50   5.08) =  72.250%  kept
          QG2   VAL   83 - HB2   MET   96   7.18 +/- 2.24  28.675% * 41.8794% (0.92   0.82   0.54) =  27.381%  kept
          QD2   LEU   31 - HB2   MET   96   9.10 +/- 2.46  15.828% *  1.0231% (0.92   0.02   0.02) =   0.369%  kept
    Distance limit 3.96 A violated in 1 structures by 0.77 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.683, support = 1.49, residual support = 5.01:
        T QD1   ILE   89 - HB3   MET   96   4.06 +/- 1.09  72.036% * 96.1779% (0.69 10.00   1.50   5.08) =  98.481%  kept
          QG2   VAL   83 - HB3   MET   96   7.07 +/- 2.37  27.964% *  3.8221% (0.41  1.00   1.00   0.54) =   1.519%  kept
    Distance limit 3.95 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 44.1:
          HN    PHE   97 - HG2   MET   96   3.49 +/- 0.76  88.674% * 99.1283% (0.92   5.59  44.15) =  99.982%  kept
          HN    LEU  115 - HG2   MET   96  13.67 +/- 1.18   2.067% *  0.3545% (0.92   0.02   0.23) =   0.008%
          HN    LEU  115 - HB2   PRO   52  12.17 +/- 3.67   6.438% *  0.1041% (0.27   0.02   0.02) =   0.008%
          HN    PHE   97 - HB2   PRO   52  19.88 +/- 3.33   0.776% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    ASN   35 - HG2   MET   96  16.24 +/- 2.72   1.409% *  0.0520% (0.14   0.02   0.02) =   0.001%
          HN    ALA   12 - HG2   MET   96  28.66 +/- 5.45   0.283% *  0.1869% (0.49   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   PRO   52  32.50 +/- 4.91   0.160% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.22 +/- 3.20   0.193% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 5.97, residual support = 44.1:
          HN    PHE   97 - HG3   MET   96   3.25 +/- 0.67  97.237% * 99.5633% (0.54   5.97  44.15) =  99.993%  kept
          HN    LEU  115 - HG3   MET   96  13.54 +/- 1.09   1.776% *  0.3334% (0.54   0.02   0.23) =   0.006%
          HN    ASP- 113 - HG3   MET   96  16.54 +/- 0.95   0.987% *  0.1033% (0.17   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.692, support = 1.69, residual support = 4.51:
          QG2   THR   94 - HG2   MET   96   5.19 +/- 0.91  22.710% * 66.5549% (0.99   1.39   3.35) =  59.633%  kept
          HG13  ILE  103 - HG2   MET   96   4.34 +/- 2.13  38.459% * 26.2387% (0.25   2.18   6.31) =  39.813%  kept
          HB3   LYS+ 112 - HB2   PRO   52   9.15 +/- 4.84  16.545% *  0.2785% (0.29   0.02   0.02) =   0.182%  kept
          HD2   LYS+ 112 - HB2   PRO   52   8.68 +/- 3.93  13.730% *  0.2464% (0.25   0.02   0.02) =   0.133%  kept
          HB3   LYS+ 112 - HG2   MET   96  15.95 +/- 1.54   0.736% *  4.2950% (0.98   0.09   0.02) =   0.125%  kept
          HB3   LEU   71 - HG2   MET   96  13.79 +/- 2.62   1.608% *  0.7744% (0.80   0.02   0.02) =   0.049%
          HD2   LYS+ 112 - HG2   MET   96  14.61 +/- 2.15   1.100% *  0.8389% (0.87   0.02   0.02) =   0.036%
          QG2   THR   94 - HB2   PRO   52  13.35 +/- 3.40   1.646% *  0.2816% (0.29   0.02   0.02) =   0.018%
          HG3   LYS+ 111 - HG2   MET   96  16.64 +/- 2.18   0.691% *  0.1492% (0.15   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HB2   PRO   52  12.82 +/- 5.50   2.350% *  0.0438% (0.05   0.02   0.02) =   0.004%
          HB3   LEU   71 - HB2   PRO   52  22.92 +/- 5.28   0.212% *  0.2275% (0.24   0.02   0.02) =   0.002%
          HG13  ILE  103 - HB2   PRO   52  23.10 +/- 3.84   0.213% *  0.0708% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.89, support = 2.37, residual support = 6.03:
          QG2   ILE  103 - HG2   MET   96   4.38 +/- 1.26  33.979% * 63.7813% (1.00   2.70   6.31) =  75.238%  kept
          QD1   ILE  103 - HG2   MET   96   4.60 +/- 1.95  33.914% * 17.2871% (0.49   1.50   6.31) =  20.353%  kept
          QD2   LEU   40 - HG2   MET   96   7.88 +/- 1.26   7.316% * 16.6058% (0.95   0.74   0.02) =   4.218%  kept
          QD1   LEU   67 - HG2   MET   96  11.38 +/- 2.03   3.940% *  0.4567% (0.97   0.02   0.02) =   0.062%
          HB    VAL   75 - HG2   MET   96  10.09 +/- 2.25   6.543% *  0.1776% (0.38   0.02   0.02) =   0.040%
          QD2   LEU   71 - HG2   MET   96  12.27 +/- 2.58   2.969% *  0.2871% (0.61   0.02   0.02) =   0.030%
          HG3   LYS+  74 - HG2   MET   96  15.27 +/- 2.27   1.381% *  0.4691% (0.99   0.02   0.02) =   0.022%
          QG2   ILE  119 - HG2   MET   96  14.27 +/- 2.22   2.450% *  0.1461% (0.31   0.02   0.02) =   0.012%
          HG3   LYS+  74 - HB2   PRO   52  16.64 +/- 3.63   1.285% *  0.1378% (0.29   0.02   0.02) =   0.006%
          QD1   LEU   67 - HB2   PRO   52  16.80 +/- 2.54   0.844% *  0.1342% (0.28   0.02   0.02) =   0.004%
          QG2   ILE  103 - HB2   PRO   52  19.25 +/- 3.11   0.594% *  0.1387% (0.29   0.02   0.02) =   0.003%
          QG2   ILE  119 - HB2   PRO   52  13.05 +/- 3.18   1.777% *  0.0429% (0.09   0.02   0.02) =   0.003%
          QD2   LEU   71 - HB2   PRO   52  18.80 +/- 4.48   0.864% *  0.0843% (0.18   0.02   0.02) =   0.003%
          QD2   LEU   40 - HB2   PRO   52  19.42 +/- 2.73   0.510% *  0.1315% (0.28   0.02   0.02) =   0.002%
          HB    VAL   75 - HB2   PRO   52  16.87 +/- 2.70   1.111% *  0.0522% (0.11   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   PRO   52  20.09 +/- 3.45   0.522% *  0.0677% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 1 structures by 0.40 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.305, support = 0.523, residual support = 0.287:
          HG    LEU   98 - HG3   MET   96   6.59 +/- 1.93  19.910% * 23.9147% (0.25   0.70   0.18) =  60.146%  kept
          QB    LEU   98 - HG3   MET   96   5.04 +/- 1.05  25.652% *  4.3892% (0.14   0.24   0.18) =  14.222%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.57 +/- 1.57   2.457% * 36.7566% (0.59   0.46   0.02) =  11.406%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.47 +/- 1.92  33.906% *  1.6589% (0.61   0.02   2.14) =   7.105%  kept
          HB3   PRO   93 - HG3   MET   96  12.75 +/- 1.06   1.615% * 16.2914% (0.34   0.35   0.02) =   3.324%  kept
          HB3   ASP-  44 - HG3   MET   96   9.70 +/- 1.78   3.730% *  2.5915% (0.12   0.16   0.02) =   1.221%  kept
          HB    VAL   42 - HG3   MET   96   8.37 +/- 1.34   5.134% *  1.4911% (0.54   0.02   0.02) =   0.967%  kept
          HB2   LYS+ 112 - HG3   MET   96  15.62 +/- 1.62   0.764% *  6.3208% (0.60   0.08   0.02) =   0.610%  kept
          HB3   LEU   73 - HG3   MET   96  13.37 +/- 3.01   2.172% *  1.5728% (0.57   0.02   0.02) =   0.432%  kept
          QB    ALA   84 - HG3   MET   96  10.43 +/- 2.18   2.887% *  0.8747% (0.32   0.02   0.02) =   0.319%  kept
          HG3   LYS+  33 - HG3   MET   96  17.65 +/- 2.66   0.586% *  1.3887% (0.51   0.02   0.02) =   0.103%  kept
          HG3   LYS+  65 - HG3   MET   96  18.60 +/- 2.76   0.489% *  1.4911% (0.54   0.02   0.02) =   0.092%
          QB    ALA  124 - HG3   MET   96  19.42 +/- 3.66   0.443% *  0.5132% (0.19   0.02   0.02) =   0.029%
          QB    ALA   12 - HG3   MET   96  23.90 +/- 4.18   0.255% *  0.7454% (0.27   0.02   0.02) =   0.024%
    Distance limit 3.92 A violated in 0 structures by 0.12 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.407, support = 1.75, residual support = 4.61:
          QG2   THR   94 - HG3   MET   96   5.21 +/- 0.72  33.078% * 62.0245% (0.60  1.00   1.39   3.35) =  56.554%  kept
          HG13  ILE  103 - HG3   MET   96   4.07 +/- 2.37  61.706% * 25.2937% (0.15  1.00   2.25   6.31) =  43.023%  kept
        T HD2   LYS+ 112 - HG3   MET   96  14.67 +/- 2.17   1.321% *  7.8183% (0.53 10.00   0.02   0.02) =   0.285%  kept
          HB3   LYS+ 112 - HG3   MET   96  15.97 +/- 1.52   0.850% *  4.0026% (0.59  1.00   0.09   0.02) =   0.094%
          HB3   LEU   71 - HG3   MET   96  14.12 +/- 2.88   2.028% *  0.7217% (0.49  1.00   0.02   0.02) =   0.040%
          HG3   LYS+ 111 - HG3   MET   96  16.52 +/- 2.00   1.016% *  0.1391% (0.09  1.00   0.02   0.02) =   0.004%
    Distance limit 3.79 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.542, support = 2.47, residual support = 6.13:
          QG2   ILE  103 - HG3   MET   96   4.03 +/- 1.34  39.758% * 65.7816% (0.61   2.75   6.31) =  77.306%  kept
          QD1   ILE  103 - HG3   MET   96   4.43 +/- 2.19  35.407% * 19.0372% (0.30   1.63   6.31) =  19.924%  kept
          QD2   LEU   40 - HG3   MET   96   7.97 +/- 1.01   6.517% * 13.6243% (0.57   0.60   0.02) =   2.624%  kept
          QD1   LEU   67 - HG3   MET   96  11.68 +/- 1.85   3.142% *  0.4628% (0.59   0.02   0.02) =   0.043%
          HB    VAL   75 - HG3   MET   96  10.37 +/- 2.19   8.063% *  0.1800% (0.23   0.02   0.02) =   0.043%
          QD2   LEU   71 - HG3   MET   96  12.55 +/- 2.76   2.889% *  0.2908% (0.37   0.02   0.02) =   0.025%
          HG3   LYS+  74 - HG3   MET   96  15.59 +/- 2.38   1.669% *  0.4753% (0.60   0.02   0.02) =   0.023%
          QG2   ILE  119 - HG3   MET   96  14.17 +/- 2.11   2.555% *  0.1480% (0.19   0.02   0.02) =   0.011%
    Distance limit 3.85 A violated in 1 structures by 0.26 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   2.23 +/- 0.07 100.000% *100.0000% (0.80  10.0   3.36  10.68) = 100.000%  kept
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.7, residual support = 62.2:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  98.185% * 99.8692% (0.90  10.0   4.70  62.25) =  99.999%  kept
          HN    LEU  115 - HA    PHE   97  13.05 +/- 1.00   1.174% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    PHE   97  16.35 +/- 1.36   0.640% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.2:
      O T QD    PHE   97 - HB2   PHE   97   2.45 +/- 0.11  96.319% * 99.9164% (0.45  10.0 10.00   2.44  62.25) =  99.997%  kept
          HZ3   TRP   87 - HB2   PHE   97  10.10 +/- 3.07   3.681% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.003%
    Distance limit 3.59 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 = 7.83, residual support = 59.2:
          HN    ASP- 105 - HB2   PHE   97   2.26 +/- 0.64  99.379% * 99.8988% (0.95   7.83  59.15) =  99.999%  kept
          HN    ALA   88 - HB2   PHE   97  15.29 +/- 1.42   0.621% *  0.1012% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.81, residual support = 62.2:
      O   HN    PHE   97 - HB2   PHE   97   2.57 +/- 0.47  98.317% * 99.8692% (0.90  10.0   4.81  62.25) =  99.999%  kept
          HN    LEU  115 - HB2   PHE   97  12.31 +/- 0.96   1.137% *  0.0999% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB2   PHE   97  15.68 +/- 1.26   0.547% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.94, support = 3.43, residual support = 46.7:
        T HB3   ASP- 105 - HB2   PHE   97   3.07 +/- 1.31  53.523% * 53.0582% (0.99 10.00   3.83  59.15) =  73.938%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.11 +/- 1.21  22.515% * 42.8650% (0.80 10.00   2.31  11.80) =  25.128%  kept
          HB    ILE  103 - HB2   PHE   97   6.84 +/- 1.31   8.971% *  2.3330% (1.00  1.00   0.87   2.52) =   0.545%  kept
          HG12  ILE  103 - HB2   PHE   97   5.98 +/- 1.86  10.454% *  1.4162% (0.20  1.00   2.67   2.52) =   0.385%  kept
          HG3   PRO   68 - HB2   PHE   97  14.21 +/- 2.64   0.591% *  0.0534% (1.00  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   PHE   97  15.60 +/- 2.82   1.517% *  0.0201% (0.38  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB2   PHE   97  16.98 +/- 1.74   0.375% *  0.0506% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.18 +/- 2.91   0.296% *  0.0534% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  15.97 +/- 4.09   0.607% *  0.0220% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  18.20 +/- 1.02   0.245% *  0.0480% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  18.76 +/- 1.93   0.223% *  0.0447% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  20.43 +/- 2.68   0.299% *  0.0220% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.37 +/- 1.54   0.384% *  0.0133% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.305, support = 4.4, residual support = 13.1:
        T HB2   LEU  104 - HB2   PHE   97   3.92 +/- 0.87  33.122% * 77.9163% (0.31 10.00   4.68  15.39) =  82.786%  kept
          QG2   ILE  103 - HB2   PHE   97   4.09 +/- 1.20  33.717% * 11.4205% (0.25  1.00   3.63   2.52) =  12.352%  kept
          QD2   LEU   40 - HB2   PHE   97   5.43 +/- 1.25  19.583% *  7.3371% (0.38  1.00   1.55   1.69) =   4.609%  kept
          QD1   ILE  119 - HB2   PHE   97  10.61 +/- 2.80   2.364% *  2.9071% (0.61  1.00   0.38   1.27) =   0.220%  kept
          QD1   LEU   67 - HB2   PHE   97  10.18 +/- 2.91   6.814% *  0.0861% (0.34  1.00   0.02   0.02) =   0.019%
          HB    VAL   75 - HB2   PHE   97  12.26 +/- 1.46   1.122% *  0.2388% (0.95  1.00   0.02   0.02) =   0.009%
          QG2   VAL  108 - HB2   PHE   97   8.52 +/- 0.68   2.917% *  0.0500% (0.20  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HB2   PHE   97  16.86 +/- 2.00   0.362% *  0.0442% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.336, support = 1.68, residual support = 4.33:
        T QD2   LEU   40 - HB3   PHE   97   4.48 +/- 1.42  28.502% * 71.2547% (0.36 10.00   1.23   1.69) =  73.926%  kept
          HB2   LEU  104 - HB3   PHE   97   3.80 +/- 1.21  33.525% * 15.4138% (0.29  1.00   3.24  15.39) =  18.810%  kept
          QG2   ILE  103 - HB3   PHE   97   4.82 +/- 1.26  20.321% *  9.2551% (0.24  1.00   2.41   2.52) =   6.846%  kept
          QD1   ILE  119 - HB3   PHE   97  10.57 +/- 3.01   2.773% *  3.5643% (0.57  1.00   0.38   1.27) =   0.360%  kept
          QD1   LEU   67 - HB3   PHE   97   9.57 +/- 3.02  10.184% *  0.1052% (0.32  1.00   0.02   0.02) =   0.039%
          HB    VAL   75 - HB3   PHE   97  12.10 +/- 1.40   1.098% *  0.2918% (0.89  1.00   0.02   0.02) =   0.012%
          QG2   VAL  108 - HB3   PHE   97   9.45 +/- 1.12   3.146% *  0.0611% (0.19  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  74 - HB3   PHE   97  16.54 +/- 2.11   0.451% *  0.0540% (0.17  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.2:
      O T QD    PHE   97 - HB3   PHE   97   2.41 +/- 0.14  97.613% * 99.8821% (0.87  10.0 10.00   2.74  62.25) =  99.998%  kept
          HZ3   TRP   87 - HB3   PHE   97  10.63 +/- 3.19   2.235% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HB3   PHE   97  22.59 +/- 2.46   0.153% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.62, residual support = 59.1:
          HN    ASP- 105 - HB3   PHE   97   3.14 +/- 0.63  97.687% * 99.1004% (0.46   5.62  59.15) =  99.990%  kept
          HN    ALA   88 - HB3   PHE   97  16.02 +/- 1.35   1.028% *  0.6279% (0.82   0.02   0.02) =   0.007%
          HN    PHE   55 - HB3   PHE   97  19.41 +/- 2.73   1.285% *  0.2717% (0.36   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.06 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   3.45 +/- 0.28  96.689% * 99.8692% (0.85  10.0   5.16  62.25) =  99.997%  kept
          HN    LEU  115 - HB3   PHE   97  12.77 +/- 0.98   2.120% *  0.0999% (0.85   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HB3   PHE   97  16.12 +/- 1.50   1.192% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.772, support = 1.96, residual support = 44.6:
          HB3   ASP- 105 - HB3   PHE   97   3.71 +/- 1.15  49.564% * 46.4060% (0.72  1.00   2.24  59.15) =  70.069%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.13 +/- 1.89  22.829% * 37.9616% (0.93  1.00   1.43  11.80) =  26.400%  kept
          HB    ILE  103 - HB3   PHE   97   7.44 +/- 1.50   9.091% * 10.8257% (0.65  1.00   0.58   2.52) =   2.998%  kept
        T HB3   PRO   58 - HB3   PHE   97  15.96 +/- 5.24  12.420% *  1.2092% (0.21 10.00   0.02   0.02) =   0.458%  kept
          HB    ILE   56 - HB3   PHE   97  15.66 +/- 3.12   1.644% *  0.4711% (0.82  1.00   0.02   0.02) =   0.024%
          HG3   PRO   68 - HB3   PHE   97  13.31 +/- 2.60   1.103% *  0.3514% (0.61  1.00   0.02   0.02) =   0.012%
          HB3   LYS+  38 - HB3   PHE   97  14.32 +/- 1.79   0.789% *  0.3944% (0.69  1.00   0.02   0.02) =   0.009%
          QB    LYS+  33 - HB3   PHE   97  16.32 +/- 1.79   0.610% *  0.4711% (0.82  1.00   0.02   0.02) =   0.009%
          QB    LYS+  81 - HB3   PHE   97  19.07 +/- 2.19   0.347% *  0.5242% (0.91  1.00   0.02   0.02) =   0.006%
          HB3   GLN   30 - HB3   PHE   97  15.35 +/- 1.50   0.613% *  0.2858% (0.50  1.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HB3   PHE   97  21.13 +/- 3.45   0.380% *  0.3944% (0.69  1.00   0.02   0.02) =   0.005%
          HB3   GLN   90 - HB3   PHE   97  19.06 +/- 1.07   0.290% *  0.5014% (0.87  1.00   0.02   0.02) =   0.004%
          HB2   MET   92 - HB3   PHE   97  18.32 +/- 0.92   0.319% *  0.2038% (0.36  1.00   0.02   0.02) =   0.002%
    Distance limit 4.05 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 = 0.327, support = 4.1, residual support = 27.7:
          HG12  ILE  103 - HA    LEU   98   4.01 +/- 1.77  52.572% * 55.5670% (0.25   5.04  31.19) =  76.699%  kept
          HB    VAL   41 - HA    LEU   98   6.87 +/- 1.98  26.067% * 22.1613% (0.38   1.34  24.06) =  15.167%  kept
          QB    LYS+ 102 - HA    LEU   98   5.75 +/- 0.47  16.339% * 18.7288% (0.98   0.43   2.15) =   8.034%  kept
          HB2   LEU   71 - HA    LEU   98  11.54 +/- 2.18   2.178% *  0.8825% (1.00   0.02   0.02) =   0.050%
          QB    LYS+  65 - HA    LEU   98  16.55 +/- 2.04   0.797% *  0.8844% (1.00   0.02   0.02) =   0.019%
          QB    LYS+  66 - HA    LEU   98  15.47 +/- 1.88   1.217% *  0.5007% (0.57   0.02   0.02) =   0.016%
          HG2   PRO   93 - HA    LEU   98  18.75 +/- 0.69   0.455% *  0.7387% (0.84   0.02   0.02) =   0.009%
          HB3   GLN   17 - HA    LEU   98  20.38 +/- 2.59   0.374% *  0.5364% (0.61   0.02   0.02) =   0.005%
    Distance limit 3.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.652, support = 2.97, residual support = 28.1:
          HA    ILE  103 - HA    LEU   98   2.91 +/- 1.90  63.477% * 68.8849% (0.73   2.96  31.19) =  83.571%  kept
          HA    LEU  104 - HA    LEU   98   4.70 +/- 0.90  31.791% * 26.9801% (0.28   3.02  12.12) =  16.393%  kept
          HA    ASP-  44 - HA    LEU   98  11.25 +/- 0.81   1.199% *  0.5754% (0.90   0.02   0.02) =   0.013%
          HA    ASP-  86 - HA    LEU   98  15.02 +/- 2.59   0.705% *  0.4659% (0.73   0.02   0.02) =   0.006%
          HA    THR   39 - HA    LEU   98  11.17 +/- 1.05   1.334% *  0.1784% (0.28   0.02   0.02) =   0.005%
          HA    SER   85 - HA    LEU   98  17.49 +/- 2.27   0.398% *  0.5359% (0.84   0.02   0.02) =   0.004%
          HB    THR   77 - HA    LEU   98  18.28 +/- 2.28   0.295% *  0.5359% (0.84   0.02   0.02) =   0.003%
          HA    GLU-  79 - HA    LEU   98  19.93 +/- 3.85   0.378% *  0.2189% (0.34   0.02   0.02) =   0.002%
          HA    GLU-  14 - HA    LEU   98  22.92 +/- 3.41   0.176% *  0.4151% (0.65   0.02   0.02) =   0.001%
          HA    ALA   12 - HA    LEU   98  27.24 +/- 4.35   0.087% *  0.4903% (0.76   0.02   0.02) =   0.001%
          HA    MET   11 - HA    LEU   98  28.42 +/- 5.23   0.071% *  0.5923% (0.92   0.02   0.02) =   0.001%
          HA1   GLY   51 - HA    LEU   98  25.92 +/- 2.38   0.089% *  0.1270% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.5, residual support = 6.92:
          HN    ASP- 105 - HA    LEU   98   4.53 +/- 0.50  96.751% * 99.8241% (0.95   4.50   6.92) =  99.994%  kept
          HN    ALA   88 - HA    LEU   98  14.99 +/- 1.51   3.249% *  0.1759% (0.38   0.02   0.02) =   0.006%
    Distance limit 3.98 A violated in 1 structures by 0.58 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.37, residual support = 18.6:
      O   HN    LYS+  99 - HA    LEU   98   2.33 +/- 0.11  96.655% * 99.7964% (0.80  10.0   4.37  18.56) =  99.997%  kept
          HE1   HIS  122 - HA    LEU   98  12.87 +/- 6.65   2.503% *  0.0905% (0.73   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HA    LEU   98  12.92 +/- 2.35   0.724% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  23.42 +/- 3.41   0.118% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 4.08, residual support = 12.1:
          HN    LEU  104 - HA    LEU   98   3.22 +/- 1.24  95.860% * 99.6793% (0.92   4.08  12.12) =  99.986%  kept
          HN    PHE   72 - HA    LEU   98  12.32 +/- 1.28   4.140% *  0.3207% (0.61   0.02   0.02) =   0.014%
    Distance limit 3.45 A violated in 3 structures by 0.41 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.05, residual support = 77.3:
      O   HN    LEU   98 - HA    LEU   98   2.91 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.05  77.33) = 100.000%  kept
    Distance limit 3.65 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 = 0.464, support = 3.54, residual support = 26.1:
        T HB    VAL   41 - QB    LEU   98   4.47 +/- 1.99  33.613% * 66.9696% (0.42 10.00   3.45  24.06) =  69.723%  kept
          HG12  ILE  103 - QB    LEU   98   2.98 +/- 1.47  50.533% * 17.6600% (0.56  1.00   3.97  31.19) =  27.642%  kept
          HB    ILE  103 - QB    LEU   98   4.46 +/- 0.72  10.416% *  6.8696% (0.60  1.00   1.45  31.19) =   2.216%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.20 +/- 0.75   1.899% *  5.1046% (0.27 10.00   0.24   0.02) =   0.300%  kept
          HB3   ASP- 105 - QB    LEU   98   7.48 +/- 0.60   1.583% *  2.1448% (0.53  1.00   0.51   6.92) =   0.105%  kept
        T QB    LYS+  33 - QB    LEU   98  11.82 +/- 2.34   0.491% *  0.6697% (0.42 10.00   0.02   0.02) =   0.010%
          HG3   PRO   68 - QB    LEU   98  14.19 +/- 1.65   0.245% *  0.0999% (0.63  1.00   0.02   0.02) =   0.001%
          QB    LYS+  81 - QB    LEU   98  15.03 +/- 2.26   0.486% *  0.0469% (0.30  1.00   0.02   0.02) =   0.001%
          HG    LEU  123 - QB    LEU   98  18.42 +/- 3.63   0.141% *  0.1234% (0.78  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QB    LEU   98  13.73 +/- 1.56   0.291% *  0.0425% (0.27  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  21.15 +/- 2.27   0.081% *  0.1234% (0.78  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  16.55 +/- 0.95   0.145% *  0.0566% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  21.51 +/- 3.06   0.076% *  0.0890% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.267, support = 3.99, residual support = 18.5:
          HN    LYS+  99 - QB    LEU   98   3.20 +/- 0.41  89.702% * 97.4494% (0.27   4.00  18.56) =  99.909%  kept
          HN    ASN   35 - QB    LEU   98  10.46 +/- 2.77   4.210% *  1.3198% (0.72   0.02   0.02) =   0.064%
          HE1   HIS  122 - QB    LEU   98  12.27 +/- 5.53   5.146% *  0.3940% (0.22   0.02   0.02) =   0.023%
          HN    ALA   12 - QB    LEU   98  23.51 +/- 4.86   0.379% *  0.5930% (0.33   0.02   0.02) =   0.003%
          HN    GLU-  14 - QB    LEU   98  19.95 +/- 3.67   0.563% *  0.2438% (0.13   0.02   0.02) =   0.002%
    Distance limit 3.52 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 = 3.12, residual support = 24.1:
          HN    VAL   41 - QB    LEU   98   4.51 +/- 1.37 100.000% *100.0000% (0.85   3.12  24.06) = 100.000%  kept
    Distance limit 4.04 A violated in 5 structures by 0.79 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 4.88, residual support = 77.3:
      O   HN    LEU   98 - QB    LEU   98   2.68 +/- 0.28 100.000% *100.0000% (0.85  10.0   4.88  77.33) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 77.3:
      O   HA    LEU   98 - HG    LEU   98   3.17 +/- 0.50 100.000% *100.0000% (0.69  10.0   4.04  77.33) = 100.000%  kept
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.73, residual support = 77.3:
          HN    LEU   98 - HG    LEU   98   3.93 +/- 0.62 100.000% *100.0000% (0.98   3.73  77.33) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.33 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.491, support = 3.66, residual support = 22.2:
        T HA    ILE  103 - QD1   LEU   98   2.91 +/- 0.63  70.131% * 24.2365% (0.25 10.00   4.33  31.19) =  52.955%  kept
        T HA    LEU  104 - QD1   LEU   98   5.66 +/- 1.03  20.291% * 74.2814% (0.76 10.00   2.91  12.12) =  46.958%  kept
          HA    ASP-  86 - QD1   LEU   98  11.15 +/- 2.77   2.161% *  1.1389% (1.00  1.00   0.23   0.02) =   0.077%
          HA    ASP-  44 - QD1   LEU   98   9.50 +/- 1.74   4.135% *  0.0400% (0.41  1.00   0.02   0.02) =   0.005%
          HA    GLU-  14 - QD1   LEU   98  19.22 +/- 3.58   0.550% *  0.0970% (1.00  1.00   0.02   0.02) =   0.002%
          HB    THR   77 - QD1   LEU   98  14.52 +/- 2.57   1.147% *  0.0332% (0.34  1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QD1   LEU   98  13.37 +/- 2.44   1.098% *  0.0332% (0.34  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - QD1   LEU   98  22.63 +/- 4.30   0.280% *  0.0963% (0.99  1.00   0.02   0.02) =   0.001%
          HA    MET   11 - QD1   LEU   98  23.51 +/- 4.92   0.208% *  0.0436% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.745, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98  11.54 +/- 3.07  34.324% * 33.8723% (0.84   0.02   0.02) =  41.399%  kept
          QD    PHE   59 - QD1   LEU   98  12.70 +/- 2.55  28.595% * 33.8723% (0.84   0.02   0.02) =  34.489%  kept
          HE21  GLN   30 - QD1   LEU   98  12.08 +/- 2.69  29.494% * 19.7390% (0.49   0.02   0.02) =  20.730%  kept
          HH2   TRP   49 - QD1   LEU   98  20.01 +/- 2.59   7.587% * 12.5164% (0.31   0.02   0.02) =   3.381%  kept
    Distance limit 3.61 A violated in 19 structures by 5.73 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.686, support = 3.24, residual support = 17.6:
        T QD1   LEU  104 - HB2   LYS+  99   3.02 +/- 1.90  75.365% * 98.4796% (0.69 10.00   3.24  17.61) =  99.920%  kept
        T QG2   ILE   89 - HB2   LYS+  99  15.85 +/- 0.73   2.963% *  0.8117% (0.57 10.00   0.02   0.02) =   0.032%
        T QD1   LEU   63 - HB2   LYS+  99  12.37 +/- 1.64   7.635% *  0.2212% (0.15 10.00   0.02   0.02) =   0.023%
        T QD1   LEU   73 - HB2   LYS+  99  13.66 +/- 1.97   4.075% *  0.2212% (0.15 10.00   0.02   0.02) =   0.012%
          QG1   VAL   83 - HB2   LYS+  99  14.03 +/- 2.85   4.397% *  0.1430% (1.00  1.00   0.02   0.02) =   0.008%
          QD2   LEU  115 - HB2   LYS+  99  15.06 +/- 1.81   3.112% *  0.0589% (0.41  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB2   LYS+  99  15.91 +/- 2.75   2.453% *  0.0643% (0.45  1.00   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 2 structures by 0.51 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.43, residual support = 10.4:
        T QD2   LEU   40 - HB2   LYS+  99   4.44 +/- 1.10  54.040% * 92.3284% (0.95 10.00   2.47  10.62) =  97.418%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.93 +/- 0.75  19.523% *  5.8342% (1.00  1.00   1.20   0.30) =   2.224%  kept
          QD1   ILE  103 - HB2   LYS+  99   7.72 +/- 0.92  11.398% *  1.5206% (0.49  1.00   0.64   0.30) =   0.338%  kept
          QD1   LEU   67 - HB2   LYS+  99  11.88 +/- 2.64   5.932% *  0.0942% (0.97  1.00   0.02   0.02) =   0.011%
          QD2   LEU   71 - HB2   LYS+  99  11.58 +/- 2.02   4.379% *  0.0592% (0.61  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  74 - HB2   LYS+  99  20.11 +/- 2.96   0.860% *  0.0967% (0.99  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - HB2   LYS+  99  15.95 +/- 1.82   1.890% *  0.0366% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  99  15.32 +/- 3.60   1.978% *  0.0301% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 1 structures by 0.58 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.82, residual support = 174.4:
      O   HN    LYS+  99 - HB2   LYS+  99   3.03 +/- 0.34  92.901% * 99.4797% (0.31  10.0   4.82 174.38) =  99.991%  kept
          HN    ASN   35 - HB2   LYS+  99  12.49 +/- 2.06   1.581% *  0.2692% (0.84   1.0   0.02   0.02) =   0.005%
          HE1   HIS  122 - HB2   LYS+  99  13.30 +/- 7.21   5.134% *  0.0804% (0.25   1.0   0.02   0.02) =   0.004%
          HN    ALA   12 - HB2   LYS+  99  27.32 +/- 4.16   0.144% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  23.13 +/- 3.15   0.240% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.25, residual support = 174.4:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.03  93.484% * 99.7964% (0.80  10.0   5.25 174.38) =  99.995%  kept
          HE1   HIS  122 - HA    LYS+  99  13.59 +/- 6.67   3.348% *  0.0905% (0.73   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HA    LYS+  99  10.57 +/- 2.44   2.847% *  0.0425% (0.34   1.0   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    LYS+  99  21.26 +/- 3.88   0.320% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.2:
      O   HN    GLU- 100 - HA    LYS+  99   2.24 +/- 0.07 100.000% *100.0000% (0.84  10.0   6.83  39.18) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.851, support = 5.21, residual support = 183.1:
      O   QE    LYS+  99 - HG2   LYS+  99   2.79 +/- 0.58  42.622% * 79.1619% (0.99  10.0   5.36 174.38) =  80.831%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.86 +/- 0.53  38.819% * 20.5905% (0.26  10.0   4.59 220.28) =  19.148%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.96 +/- 2.43   8.104% *  0.0756% (0.95   1.0   0.02   0.02) =   0.015%
          QE    LYS+ 102 - HG2   LYS+  38  13.60 +/- 3.70   4.657% *  0.0166% (0.21   1.0   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HG2   LYS+  99   9.73 +/- 1.17   0.943% *  0.0610% (0.76   1.0   0.02   1.62) =   0.001%
          QE    LYS+  99 - HG2   LYS+  38   8.35 +/- 2.19   2.665% *  0.0216% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HG2   LYS+  99   9.26 +/- 0.73   1.432% *  0.0272% (0.34   1.0   0.02   0.02) =   0.001%
          HB3   TRP   27 - HG2   LYS+  99  17.65 +/- 1.84   0.176% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.02 +/- 1.92   0.333% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.50 +/- 1.63   0.249% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.834, support = 7.03, residual support = 173.9:
      O T HA    LYS+  99 - HG2   LYS+  99   2.99 +/- 0.59  47.600% * 98.1521% (0.84  10.0 10.00   7.05 174.38) =  99.728%  kept
          HA    LEU   40 - HG2   LYS+  99   5.89 +/- 2.21  11.961% *  0.8808% (0.57   1.0  1.00   0.26  10.62) =   0.225%  kept
        T HA    LYS+  99 - HG2   LYS+  38   9.80 +/- 2.07   3.195% *  0.2675% (0.23   1.0 10.00   0.02   0.02) =   0.018%
          HA    ASN   35 - HG2   LYS+  38   4.21 +/- 1.32  27.676% *  0.0303% (0.26   1.0  1.00   0.02   0.02) =   0.018%
          HA    ASN   35 - HG2   LYS+  99   9.58 +/- 2.53   2.038% *  0.1112% (0.95   1.0  1.00   0.02   0.02) =   0.005%
          HA    PRO   58 - HG2   LYS+  99  21.06 +/- 5.57   1.947% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HG2   LYS+  99  19.44 +/- 7.48   0.434% *  0.1172% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU   40 - HG2   LYS+  38   8.08 +/- 0.42   2.579% *  0.0181% (0.15   1.0  1.00   0.02   0.53) =   0.001%
          HA    ILE   56 - HG2   LYS+  99  24.24 +/- 3.74   0.206% *  0.1134% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  15.00 +/- 5.32   1.115% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  18.77 +/- 4.29   0.231% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.64 +/- 1.78   0.115% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  23.77 +/- 7.53   0.202% *  0.0320% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  23.70 +/- 4.08   0.099% *  0.0441% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  18.76 +/- 5.34   0.322% *  0.0120% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  28.41 +/- 3.32   0.074% *  0.0309% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  24.45 +/- 4.34   0.147% *  0.0132% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  29.44 +/- 2.85   0.059% *  0.0156% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.102, support = 4.84, residual support = 17.9:
          HA    SER   37 - HA    LYS+  38   5.19 +/- 0.04  30.932% * 42.9517% (0.05  1.00   5.55  20.57) =  86.643%  kept
          HA    LEU   40 - HA    LYS+  38   6.08 +/- 0.22  19.371% *  4.5844% (0.05  1.00   0.57   0.53) =   5.791%  kept
          HA    LEU   40 - HA    GLU- 100   6.53 +/- 2.26  25.671% *  2.6851% (0.80  1.00   0.02   0.02) =   4.495%  kept
        T HA    PRO   58 - HA    GLU- 100  23.45 +/- 4.77   0.692% * 30.9542% (0.92 10.00   0.02   0.02) =   1.397%  kept
          HA    SER   37 - HA    GLU- 100  10.88 +/- 2.79   4.672% *  2.5626% (0.76  1.00   0.02   0.02) =   0.781%  kept
          HA    GLU-  15 - HA    GLU- 100  18.89 +/- 5.68   1.104% *  3.1720% (0.95  1.00   0.02   0.02) =   0.228%  kept
          HA    VAL   42 - HA    GLU- 100  10.73 +/- 1.33   3.622% *  0.7465% (0.22  1.00   0.02   0.02) =   0.176%  kept
          HA    GLN   17 - HA    GLU- 100  19.40 +/- 4.53   0.779% *  2.5626% (0.76  1.00   0.02   0.02) =   0.130%  kept
          HA    SER   13 - HA    GLU- 100  23.42 +/- 5.32   0.484% *  3.1720% (0.95  1.00   0.02   0.02) =   0.100%  kept
        T HA    PRO   58 - HA    LYS+  38  22.94 +/- 3.82   0.554% *  1.8704% (0.06 10.00   0.02   0.02) =   0.068%
          HA    THR   46 - HA    GLU- 100  23.21 +/- 1.47   0.343% *  2.8009% (0.84  1.00   0.02   0.02) =   0.063%
          HA    GLU-  15 - HA    LYS+  38  14.23 +/- 4.58   2.999% *  0.1917% (0.06  1.00   0.02   0.02) =   0.037%
          HA    LEU  123 - HA    GLU- 100  22.78 +/- 6.75   0.619% *  0.6636% (0.20  1.00   0.02   0.02) =   0.027%
          HA    GLN   17 - HA    LYS+  38  15.88 +/- 3.33   2.562% *  0.1548% (0.05  1.00   0.02   0.02) =   0.026%
          HA    SER   13 - HA    LYS+  38  18.37 +/- 4.46   1.289% *  0.1917% (0.06  1.00   0.02   0.02) =   0.016%
          HA    ILE   56 - HA    GLU- 100  26.70 +/- 3.06   0.252% *  0.4538% (0.14  1.00   0.02   0.02) =   0.007%
          HA    VAL   42 - HA    LYS+  38  12.19 +/- 0.65   2.529% *  0.0451% (0.01  1.00   0.02   0.02) =   0.007%
          HA    THR   46 - HA    LYS+  38  24.22 +/- 1.43   0.334% *  0.1692% (0.05  1.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HA    LYS+  38  22.75 +/- 7.17   0.916% *  0.0401% (0.01  1.00   0.02   0.02) =   0.002%
          HA    ILE   56 - HA    LYS+  38  26.83 +/- 2.90   0.275% *  0.0274% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.85 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   3.21 +/- 0.49  91.808% * 99.9940% (1.00  10.0   3.86  14.93) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38   8.77 +/- 2.35   8.192% *  0.0060% (0.06   1.0   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.38, residual support = 75.5:
      O   HN    GLU- 100 - HA    GLU- 100   2.29 +/- 0.13  93.296% * 99.9940% (0.84  10.0   6.38  75.55) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   6.89 +/- 2.36   6.704% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.804, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  12.94 +/- 3.26  13.480% * 28.3278% (1.00 10.00   0.02   0.02) =  40.747%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.51 +/- 4.02  24.499% *  8.7627% (0.31 10.00   0.02   0.02) =  22.908%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.20 +/- 3.79   7.231% * 27.8286% (0.98 10.00   0.02   0.02) =  21.473%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.72 +/- 2.23   2.517% * 23.7140% (0.84 10.00   0.02   0.02) =   6.369%  kept
          HA    VAL   70 - HB2   GLU- 100  13.02 +/- 2.07  15.190% *  2.3714% (0.84  1.00   0.02   0.02) =   3.844%  kept
          HA    VAL   18 - HB2   GLU- 100  18.81 +/- 3.58   4.687% *  2.7399% (0.97  1.00   0.02   0.02) =   1.370%  kept
          HB2   SER   82 - HB2   GLU- 100  21.58 +/- 3.16   4.877% *  2.6208% (0.92  1.00   0.02   0.02) =   1.364%  kept
          HB2   SER   37 - HB2   GLU- 100  11.05 +/- 2.88  22.131% *  0.5618% (0.20  1.00   0.02   0.02) =   1.327%  kept
          HA    ALA   88 - HB2   GLU- 100  22.67 +/- 1.48   2.838% *  0.9684% (0.34  1.00   0.02   0.02) =   0.293%  kept
          HA    SER   48 - HB2   GLU- 100  27.75 +/- 2.61   1.424% *  1.6074% (0.57  1.00   0.02   0.02) =   0.244%  kept
          HD2   PRO   52 - HB2   GLU- 100  30.48 +/- 2.82   1.126% *  0.4972% (0.18  1.00   0.02   0.02) =   0.060%
    Distance limit 3.44 A violated in 20 structures by 5.02 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 5.23, residual support = 39.1:
          HG2   LYS+  99 - HG2   GLU- 100   3.56 +/- 1.18  65.102% * 97.4794% (0.45   5.24  39.18) =  99.751%  kept
          HG2   LYS+  38 - HG2   GLU- 100   7.95 +/- 3.37  31.455% *  0.4696% (0.57   0.02   0.02) =   0.232%  kept
          QG2   THR   77 - HG2   GLU- 100  19.69 +/- 1.85   0.472% *  0.8130% (0.98   0.02   0.02) =   0.006%
          QB    ALA   88 - HG2   GLU- 100  19.13 +/- 1.53   0.424% *  0.7439% (0.90   0.02   0.02) =   0.005%
          HB2   LEU   31 - HG2   GLU- 100  13.15 +/- 3.54   2.053% *  0.1453% (0.18   0.02   0.02) =   0.005%
          QG2   THR   23 - HG2   GLU- 100  21.00 +/- 2.44   0.351% *  0.1642% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG2   GLU- 100  27.97 +/- 3.27   0.143% *  0.1847% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.449, support = 4.07, residual support = 39.1:
          HG2   LYS+  99 - HG3   GLU- 100   3.51 +/- 0.71  69.027% * 96.7841% (0.45   4.08  39.18) =  99.735%  kept
          HG2   LYS+  38 - HG3   GLU- 100   7.68 +/- 3.27  27.335% *  0.5991% (0.57   0.02   0.02) =   0.244%  kept
          QB    ALA   88 - HG3   GLU- 100  19.30 +/- 1.71   0.455% *  0.9491% (0.90   0.02   0.02) =   0.006%
          QG2   THR   77 - HG3   GLU- 100  19.76 +/- 1.93   0.407% *  1.0373% (0.98   0.02   0.02) =   0.006%
          HB2   LEU   31 - HG3   GLU- 100  13.08 +/- 3.38   2.243% *  0.1853% (0.18   0.02   0.02) =   0.006%
          QG2   THR   23 - HG3   GLU- 100  20.90 +/- 2.14   0.377% *  0.2094% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HG3   GLU- 100  28.05 +/- 3.05   0.156% *  0.2356% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.45, residual support = 75.5:
      O   HA    GLU- 100 - HG3   GLU- 100   3.26 +/- 0.73  73.365% * 99.7364% (1.00  10.0   4.45  75.55) =  99.992%  kept
          HA    LYS+  38 - HG3   GLU- 100   6.83 +/- 2.96  25.387% *  0.0198% (0.20   1.0   0.02   0.02) =   0.007%
          HA    VAL   83 - HG3   GLU- 100  20.07 +/- 2.96   0.525% *  0.1000% (1.00   1.0   0.02   0.02) =   0.001%
          HD2   PRO   58 - HG3   GLU- 100  25.79 +/- 4.41   0.507% *  0.0991% (0.99   1.0   0.02   0.02) =   0.001%
          HB2   CYS   53 - HG3   GLU- 100  28.08 +/- 2.87   0.215% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.26, residual support = 75.5:
          HN    GLU- 100 - HG3   GLU- 100   3.46 +/- 0.48 100.000% *100.0000% (0.97   4.26  75.55) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.46, residual support = 75.5:
          HN    GLU- 100 - HG2   GLU- 100   3.34 +/- 0.82 100.000% *100.0000% (0.84   6.46  75.55) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.83, residual support = 159.8:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.59 +/- 0.22  82.923% * 99.6342% (1.00  10.0   4.83 159.83) =  99.991%  kept
          HN    LYS+ 102 - HB    VAL   41   8.99 +/- 2.63   7.495% *  0.0448% (0.45   1.0   0.02   0.02) =   0.004%
          HN    THR   39 - QB    LYS+ 102  12.25 +/- 2.38   1.623% *  0.0606% (0.61   1.0   0.02   0.02) =   0.001%
          HN    THR   39 - HB    VAL   41   8.05 +/- 0.89   3.496% *  0.0272% (0.27   1.0   0.02   0.25) =   0.001%
          HN    GLU-  36 - QB    LYS+ 102  13.54 +/- 3.20   0.955% *  0.0964% (0.97   1.0   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB    VAL   41  10.58 +/- 1.41   1.486% *  0.0433% (0.43   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - QB    LYS+ 102  13.60 +/- 2.72   0.962% *  0.0646% (0.65   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB    VAL   41  12.38 +/- 2.21   1.060% *  0.0290% (0.29   1.0   0.02   0.42) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 23.6:
          HN    ILE  103 - QB    LYS+ 102   3.04 +/- 0.47  88.984% * 98.9463% (1.00   5.46  23.64) =  99.982%  kept
          HN    ILE  103 - HB    VAL   41   9.13 +/- 2.24   6.722% *  0.1630% (0.45   0.02   0.02) =   0.012%
          HN    GLN   90 - QB    LYS+ 102  17.77 +/- 1.44   0.514% *  0.3431% (0.95   0.02   0.02) =   0.002%
          HN    GLY  109 - QB    LYS+ 102  17.97 +/- 0.98   0.474% *  0.1908% (0.53   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  17.59 +/- 1.46   0.570% *  0.1542% (0.43   0.02   0.02) =   0.001%
          HN    SER   82 - QB    LYS+ 102  18.25 +/- 3.34   0.725% *  0.0807% (0.22   0.02   0.02) =   0.001%
          HN    SER   82 - HB    VAL   41  15.87 +/- 2.86   1.591% *  0.0363% (0.10   0.02   0.02) =   0.001%
          HN    GLY  109 - HB    VAL   41  19.22 +/- 1.28   0.421% *  0.0857% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 4.57, residual support = 159.1:
          HN    LYS+ 102 - HG2   LYS+ 102   3.67 +/- 0.42  84.100% * 95.8264% (0.73   4.59 159.83) =  99.572%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.11 +/- 1.60   9.169% *  3.6568% (0.38   0.34   0.02) =   0.414%  kept
          HN    GLU-  36 - HG2   LYS+ 102  15.42 +/- 3.74   2.126% *  0.3024% (0.53   0.02   0.02) =   0.008%
          HN    THR   39 - HG2   LYS+ 102  14.05 +/- 2.70   3.092% *  0.1007% (0.18   0.02   0.02) =   0.004%
          HD1   TRP   87 - HG2   LYS+ 102  15.97 +/- 3.25   1.512% *  0.1137% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.668, support = 0.02, residual support = 0.0245:
        T QB    SER   85 - HA    ILE  103  15.74 +/- 2.54   6.964% * 19.9520% (0.90 10.00   0.02   0.02) =  34.794%  kept
        T QB    SER   48 - HA    ILE  103  20.82 +/- 2.78   2.997% * 19.2979% (0.87 10.00   0.02   0.02) =  14.485%  kept
        T QB    SER  117 - HA    ILE  103  15.72 +/- 2.73   6.716% *  7.5887% (0.34 10.00   0.02   0.02) =  12.763%  kept
        T HA2   GLY   51 - HA    ILE  103  26.05 +/- 2.96   1.393% * 13.4936% (0.61 10.00   0.02   0.02) =   4.708%  kept
          HB    THR   94 - HA    ILE  103  13.28 +/- 1.29   9.674% *  1.7002% (0.76  1.00   0.02   0.02) =   4.119%  kept
          HA    LYS+ 121 - HA    ILE  103  16.78 +/- 6.21   9.719% *  1.5282% (0.69  1.00   0.02   0.02) =   3.719%  kept
        T QB    SER   48 - HA    THR   39  22.89 +/- 2.60   2.287% *  6.3756% (0.29 10.00   0.02   0.02) =   3.651%  kept
        T QB    SER   85 - HA    THR   39  22.26 +/- 2.07   2.074% *  6.5917% (0.30 10.00   0.02   0.02) =   3.423%  kept
          HA2   GLY   16 - HA    THR   39  11.75 +/- 4.54  19.556% *  0.6592% (0.30  1.00   0.02   0.16) =   3.228%  kept
          HA    ALA  120 - HA    ILE  103  18.92 +/- 4.55   4.479% *  2.2050% (0.99  1.00   0.02   0.02) =   2.473%  kept
        T HD2   PRO   52 - HA    ILE  103  24.24 +/- 2.58   1.663% *  5.5474% (0.25 10.00   0.02   0.02) =   2.310%  kept
        T QB    SER  117 - HA    THR   39  20.24 +/- 3.08   3.126% *  2.5072% (0.11 10.00   0.02   0.02) =   1.963%  kept
          HA    LYS+  65 - HA    ILE  103  18.68 +/- 2.38   4.012% *  1.8582% (0.84  1.00   0.02   0.02) =   1.867%  kept
        T HA2   GLY   51 - HA    THR   39  28.11 +/- 4.25   1.511% *  4.4580% (0.20 10.00   0.02   0.02) =   1.686%  kept
          HA    LYS+  65 - HA    THR   39  14.25 +/- 1.76   8.608% *  0.6139% (0.28  1.00   0.02   0.02) =   1.323%  kept
          HA2   GLY   16 - HA    ILE  103  21.35 +/- 3.71   2.359% *  1.9952% (0.90  1.00   0.02   0.02) =   1.179%  kept
          HA    ALA  120 - HA    THR   39  20.59 +/- 5.40   3.935% *  0.7285% (0.33  1.00   0.02   0.02) =   0.718%  kept
          HA    LYS+ 121 - HA    THR   39  19.73 +/- 5.66   5.088% *  0.5049% (0.23  1.00   0.02   0.02) =   0.643%  kept
        T HD2   PRO   52 - HA    THR   39  27.14 +/- 3.16   1.280% *  1.8327% (0.08 10.00   0.02   0.02) =   0.588%  kept
          HB    THR   94 - HA    THR   39  20.27 +/- 0.75   2.558% *  0.5617% (0.25  1.00   0.02   0.02) =   0.360%  kept
    Distance limit 3.17 A violated in 20 structures by 5.50 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.57, residual support = 38.1:
      O   HN    LEU  104 - HA    ILE  103   2.39 +/- 0.21  95.161% * 99.8797% (0.92  10.0   6.57  38.14) =  99.998%  kept
          HN    PHE   72 - HA    THR   39   8.80 +/- 1.76   3.276% *  0.0217% (0.20   1.0   0.02   0.02) =   0.001%
          HN    PHE   72 - HA    ILE  103  13.45 +/- 1.59   0.860% *  0.0656% (0.61   1.0   0.02   0.02) =   0.001%
          HN    LEU  104 - HA    THR   39  12.90 +/- 1.08   0.703% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.348, support = 3.74, residual support = 35.6:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.03  75.978% * 70.7580% (0.33  10.0   3.72  36.47) =  93.388%  kept
          HN    LYS+ 102 - HA    ILE  103   5.17 +/- 0.32  13.456% * 28.2135% (0.65   1.0   4.04  23.64) =   6.595%  kept
          HD1   TRP   87 - HA    ILE  103  12.22 +/- 2.83   1.407% *  0.2156% (1.00   1.0   0.02   0.39) =   0.005%
          HN    GLU-  36 - HA    THR   39   8.26 +/- 0.31   3.206% *  0.0596% (0.28   1.0   0.02   0.80) =   0.003%
          HN    THR   39 - HA    ILE  103  13.15 +/- 1.32   0.887% *  0.2142% (0.99   1.0   0.02   0.02) =   0.003%
          HN    GLU-  36 - HA    ILE  103  15.66 +/- 2.07   0.533% *  0.1805% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HA    THR   39  11.75 +/- 1.59   1.315% *  0.0462% (0.21   1.0   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ILE  103  17.81 +/- 3.00   0.388% *  0.1052% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA    ILE  103  17.51 +/- 3.88   1.072% *  0.0333% (0.15   1.0   0.02   0.02) =   0.001%
          HD1   TRP   87 - HA    THR   39  19.61 +/- 2.06   0.257% *  0.0712% (0.33   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  15.84 +/- 1.12   0.475% *  0.0347% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.51 +/- 1.65   0.358% *  0.0428% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  17.29 +/- 2.93   0.554% *  0.0110% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.47 +/- 1.46   0.113% *  0.0141% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.33, residual support = 31.2:
        T QD1   LEU   98 - HA    ILE  103   2.91 +/- 0.63  90.829% * 99.6453% (0.41 10.00   4.33  31.19) =  99.993%  kept
          QG2   ILE   19 - HA    THR   39  11.02 +/- 2.52   3.259% *  0.0799% (0.33  1.00   0.02   0.02) =   0.003%
          QG2   ILE   19 - HA    ILE  103  16.27 +/- 2.27   0.843% *  0.2418% (1.00  1.00   0.02   0.02) =   0.002%
          QD1   LEU   98 - HA    THR   39   9.69 +/- 1.29   5.068% *  0.0329% (0.14  1.00   0.02   0.02) =   0.002%
    Distance limit 3.26 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.488, support = 2.77, residual support = 9.77:
          HN    ASP- 105 - QG2   ILE  103   2.79 +/- 0.73  75.896% * 28.1393% (0.38   2.53   3.20) =  67.631%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.18 +/- 0.46  14.381% * 70.6244% (0.73   3.29  23.64) =  32.163%  kept
          HD1   TRP   87 - QG2   ILE  103   9.62 +/- 2.34   7.416% *  0.8212% (0.20   0.14   0.39) =   0.193%  kept
          HN    GLU-  36 - QG2   ILE  103  15.27 +/- 1.85   0.954% *  0.3114% (0.53   0.02   0.02) =   0.009%
          HN    THR   39 - QG2   ILE  103  13.15 +/- 1.46   1.354% *  0.1037% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.58, residual support = 38.1:
          HN    LEU  104 - QG2   ILE  103   2.32 +/- 0.56  99.067% * 99.9407% (0.90   6.58  38.14) =  99.999%  kept
          HN    PHE   72 - QG2   ILE  103  12.30 +/- 1.88   0.933% *  0.0593% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.73, residual support = 138.8:
      O   HN    ILE  103 - HB    ILE  103   2.37 +/- 0.48  98.493% * 99.8308% (1.00  10.0   6.73 138.77) =  99.999%  kept
          HN    GLN   90 - HB    ILE  103  15.57 +/- 1.76   0.470% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.59 +/- 1.63   0.480% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  17.79 +/- 3.32   0.556% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.22, support = 5.93, residual support = 133.8:
      O T HA    ILE  103 - HG12  ILE  103   2.29 +/- 0.35  89.961% * 56.1961% (0.20  10.0 10.00   5.98 138.77) =  95.059%  kept
          HA    LEU  104 - HG12  ILE  103   6.08 +/- 0.30   6.129% * 42.7834% (0.61   1.0  1.00   4.97  38.14) =   4.931%  kept
          HA    ASP-  86 - HG12  ILE  103  12.80 +/- 3.60   1.383% *  0.2249% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          HA    ASP-  44 - HG12  ILE  103  10.64 +/- 1.80   1.346% *  0.0927% (0.33   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HG12  ILE  103  15.17 +/- 3.13   0.505% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - HG12  ILE  103  24.24 +/- 3.66   0.138% *  0.2249% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HG12  ILE  103  16.82 +/- 2.65   0.377% *  0.0769% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HG12  ILE  103  28.36 +/- 4.91   0.081% *  0.2234% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  29.41 +/- 6.00   0.080% *  0.1010% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 138.8:
          HN    ILE  103 - HG12  ILE  103   3.42 +/- 0.53  95.342% * 99.5124% (0.80   6.92 138.77) =  99.992%  kept
          HN    GLN   90 - HG12  ILE  103  14.83 +/- 1.89   1.533% *  0.2722% (0.76   0.02   0.02) =   0.004%
          HN    GLY  109 - HG12  ILE  103  15.28 +/- 1.96   1.435% *  0.1514% (0.42   0.02   0.02) =   0.002%
          HN    SER   82 - HG12  ILE  103  16.57 +/- 3.35   1.690% *  0.0641% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.8:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  97.919% * 99.2748% (0.58  10.0 10.00   4.30 138.77) =  99.997%  kept
        T HB3   LEU   71 - HG12  ILE  103  13.70 +/- 2.07   0.274% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HG12  ILE  103   8.54 +/- 1.24   0.995% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  103  10.02 +/- 1.25   0.619% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  19.02 +/- 2.03   0.085% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  17.85 +/- 2.23   0.109% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.594, support = 5.05, residual support = 138.8:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.01  63.093% * 32.5765% (0.39  10.0 10.00   4.62 138.77) =  50.145%  kept
      O T QG2   ILE  103 - HG12  ILE  103   2.79 +/- 0.27  30.593% * 66.7776% (0.80  10.0 10.00   5.48 138.77) =  49.841%  kept
          QD2   LEU   40 - HG12  ILE  103   6.77 +/- 1.68   4.393% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.007%
        T QD2   LEU   71 - HG12  ILE  103  12.33 +/- 2.44   0.529% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          QD1   LEU   67 - HG12  ILE  103  12.21 +/- 1.73   0.446% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HG12  ILE  103  12.64 +/- 2.29   0.497% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  17.65 +/- 2.60   0.159% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.36 +/- 3.16   0.291% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.93, residual support = 31.2:
          QD1   LEU   98 - HG12  ILE  103   2.82 +/- 0.79  99.067% * 99.7572% (0.72   5.93  31.19) =  99.998%  kept
          QG2   ILE   19 - HG12  ILE  103  16.10 +/- 2.47   0.933% *  0.2428% (0.52   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.74, support = 4.09, residual support = 138.8:
      O   QD1   ILE  103 - HG13  ILE  103   2.14 +/- 0.01  55.004% * 82.5087% (0.84  10.0   3.97 138.77) =  85.633%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.37 +/- 0.35  44.009% * 17.2996% (0.18  10.0   4.83 138.77) =  14.366%  kept
          QD2   LEU   71 - HG13  ILE  103  12.97 +/- 2.65   0.539% *  0.0717% (0.73   1.0   0.02   0.02) =   0.001%
          QG2   ILE  119 - HG13  ILE  103  15.49 +/- 2.93   0.320% *  0.0953% (0.97   1.0   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG13  ILE  103  17.75 +/- 2.63   0.128% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.52, residual support = 31.2:
          QD1   LEU   98 - HG13  ILE  103   3.38 +/- 0.76  98.648% * 99.4318% (0.90   2.52  31.19) =  99.992%  kept
          QG2   ILE   19 - HG13  ILE  103  16.57 +/- 2.56   1.352% *  0.5682% (0.65   0.02   0.02) =   0.008%
    Distance limit 3.65 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.62, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   ILE  103  13.59 +/- 2.96  24.021% * 30.1124% (0.77   0.02   0.02) =  32.566%  kept
          HD1   TRP   27 - QD1   ILE  103  12.08 +/- 3.82  35.741% * 17.5479% (0.45   0.02   0.02) =  28.237%  kept
          QD    PHE   59 - QD1   ILE  103  12.70 +/- 2.27  30.695% * 17.5479% (0.45   0.02   0.02) =  24.251%  kept
          HH2   TRP   49 - QD1   ILE  103  19.38 +/- 2.06   9.542% * 34.7918% (0.89   0.02   0.02) =  14.947%  kept
    Distance limit 4.07 A violated in 20 structures by 5.80 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.548, support = 0.36, residual support = 0.381:
          HE3   TRP   87 - QD1   ILE  103   6.00 +/- 3.88  48.543% * 57.0053% (0.52   0.41   0.39) =  81.619%  kept
          HN    TRP   87 - QD1   ILE  103   8.91 +/- 3.11  16.127% * 32.7886% (0.67   0.18   0.39) =  15.596%  kept
          HD21  ASN   69 - QD1   ILE  103  13.59 +/- 2.92  16.135% *  3.4115% (0.63   0.02   0.02) =   1.624%  kept
          HN    GLN   17 - QD1   ILE  103  17.75 +/- 3.42   5.169% *  4.3080% (0.80   0.02   0.02) =   0.657%  kept
          HN    ALA   91 - QD1   ILE  103  13.06 +/- 2.24   8.170% *  1.1057% (0.21   0.02   0.02) =   0.266%  kept
          HN    ALA   61 - QD1   ILE  103  15.32 +/- 3.36   5.857% *  1.3809% (0.26   0.02   0.02) =   0.239%  kept
    Distance limit 3.72 A violated in 9 structures by 1.75 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.66, residual support = 138.7:
          HN    ILE  103 - QD1   ILE  103   2.69 +/- 0.85  90.534% * 99.4053% (0.92   5.67 138.77) =  99.979%  kept
          HN    GLN   90 - QD1   ILE  103  12.01 +/- 2.27   3.342% *  0.3320% (0.87   0.02   0.02) =   0.012%
          HN    GLY  109 - QD1   ILE  103  12.93 +/- 2.04   2.573% *  0.1846% (0.49   0.02   0.02) =   0.005%
          HN    SER   82 - QD1   ILE  103  13.36 +/- 3.24   3.552% *  0.0781% (0.21   0.02   0.02) =   0.003%
    Distance limit 3.87 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.721, support = 5.38, residual support = 137.7:
      O   HA    ILE  103 - HG13  ILE  103   3.23 +/- 0.39  77.223% * 92.0231% (0.73  10.0   5.40 138.77) =  98.955%  kept
          HA    LEU  104 - HG13  ILE  103   6.52 +/- 0.44  10.335% *  7.1601% (0.28   1.0   4.06  38.14) =   1.030%  kept
          HA    ASP-  44 - HG13  ILE  103  10.49 +/- 1.86   4.125% *  0.1137% (0.90   1.0   0.02   0.02) =   0.007%
          HA    ASP-  86 - HG13  ILE  103  12.22 +/- 3.62   2.167% *  0.0920% (0.73   1.0   0.02   0.02) =   0.003%
          HA    SER   85 - HG13  ILE  103  14.43 +/- 3.22   1.139% *  0.1059% (0.84   1.0   0.02   0.02) =   0.002%
          HA    GLU-  79 - HG13  ILE  103  18.40 +/- 3.96   2.041% *  0.0432% (0.34   1.0   0.02   0.02) =   0.001%
          HB    THR   77 - HG13  ILE  103  16.31 +/- 2.85   0.804% *  0.1059% (0.84   1.0   0.02   0.02) =   0.001%
          HA    THR   39 - HG13  ILE  103  14.45 +/- 1.77   1.423% *  0.0352% (0.28   1.0   0.02   0.02) =   0.001%
          HA    MET   11 - HG13  ILE  103  30.13 +/- 6.14   0.162% *  0.1170% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.96 +/- 3.92   0.220% *  0.0820% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.07 +/- 5.10   0.153% *  0.0968% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.88 +/- 2.53   0.209% *  0.0251% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 138.8:
          HN    ILE  103 - HG13  ILE  103   3.90 +/- 0.54  93.222% * 99.4584% (1.00   6.22 138.77) =  99.985%  kept
          HN    GLN   90 - HG13  ILE  103  13.95 +/- 2.09   2.754% *  0.3023% (0.95   0.02   0.02) =   0.009%
          HN    GLY  109 - HG13  ILE  103  14.47 +/- 2.15   2.366% *  0.1681% (0.53   0.02   0.02) =   0.004%
          HN    SER   82 - HG13  ILE  103  16.15 +/- 3.40   1.658% *  0.0712% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.49, residual support = 138.7:
          HN    ILE  103 - QG2   ILE  103   3.58 +/- 0.18  93.775% * 99.2545% (0.69   6.49 138.77) =  99.979%  kept
          HN    GLY  109 - QG2   ILE  103  11.53 +/- 1.26   3.061% *  0.4297% (0.97   0.02   0.02) =   0.014%
          HN    GLN   90 - QG2   ILE  103  12.32 +/- 1.38   2.639% *  0.2167% (0.49   0.02   0.02) =   0.006%
          HE1   HIS   22 - QG2   ILE  103  20.79 +/- 1.65   0.525% *  0.0991% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 23.6:
          HA    LYS+ 102 - HB    ILE  103   4.51 +/- 0.30  95.176% * 98.7662% (0.38   4.78  23.64) =  99.978%  kept
          HA    ALA   20 - HB    ILE  103  20.52 +/- 2.21   1.253% *  1.0160% (0.92   0.02   0.02) =   0.014%
          HA    LEU   71 - HB    ILE  103  15.54 +/- 2.33   3.572% *  0.2178% (0.20   0.02   0.02) =   0.008%
    Distance limit 4.15 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.62, residual support = 15.1:
        T HB2   PHE   97 - HB2   LEU  104   3.92 +/- 0.87  60.071% * 93.8677% (0.82 10.00   4.68  15.39) =  98.269%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.13 +/- 1.42  16.586% *  5.9439% (0.78  1.00   1.34   0.43) =   1.718%  kept
          QE    LYS+  99 - HB2   LEU  104   6.81 +/- 1.47  20.388% *  0.0247% (0.22  1.00   0.02  17.61) =   0.009%
          HB3   PHE   60 - HB2   LEU  104  15.50 +/- 3.74   1.741% *  0.0721% (0.63  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - HB2   LEU  104  17.19 +/- 2.01   1.214% *  0.0916% (0.80  1.00   0.02   0.02) =   0.002%
    Distance limit 3.91 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.33, residual support = 35.1:
          HN    ASP- 105 - HB2   LEU  104   2.97 +/- 0.53  99.088% * 99.8749% (0.82   6.33  35.12) =  99.999%  kept
          HN    ALA   88 - HB2   LEU  104  17.00 +/- 2.63   0.912% *  0.1251% (0.33   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 214.1:
      O   HN    LEU  104 - HB2   LEU  104   2.91 +/- 0.61  98.348% * 99.7579% (0.36  10.0   7.38 214.10) =  99.996%  kept
          HN    PHE   72 - HB2   LEU  104  13.43 +/- 1.88   1.652% *  0.2421% (0.87   1.0   0.02   0.02) =   0.004%
    Distance limit 3.57 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.88, residual support = 214.1:
      O   HN    LEU  104 - HB3   LEU  104   3.54 +/- 0.24  98.310% * 99.9343% (0.71  10.0   6.88 214.10) =  99.999%  kept
          HN    PHE   72 - HB3   LEU  104  14.53 +/- 1.86   1.690% *  0.0657% (0.46   1.0   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.44, residual support = 214.1:
          HN    LEU  104 - HG    LEU  104   3.33 +/- 0.65  97.583% * 99.8238% (0.92   7.44 214.10) =  99.996%  kept
          HN    PHE   72 - HG    LEU  104  13.97 +/- 2.22   2.417% *  0.1762% (0.61   0.02   0.02) =   0.004%
    Distance limit 3.49 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.7, residual support = 17.5:
          HN    LYS+  99 - HG    LEU  104   4.27 +/- 0.97  72.379% * 96.7574% (0.98   1.71  17.61) =  99.592%  kept
          HE1   HIS  122 - HG    LEU  104  12.34 +/- 7.89  22.385% *  1.1548% (1.00   0.02   0.02) =   0.368%  kept
          HN    GLN   30 - HG    LEU  104  17.52 +/- 2.64   2.348% *  0.5189% (0.45   0.02   0.02) =   0.017%
          HN    ASP-  86 - HG    LEU  104  17.86 +/- 3.39   2.392% *  0.4344% (0.38   0.02   0.02) =   0.015%
          HN    GLU-  14 - HG    LEU  104  24.54 +/- 2.89   0.497% *  1.1345% (0.98   0.02   0.02) =   0.008%
    Distance limit 4.13 A violated in 1 structures by 0.30 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.372, support = 6.58, residual support = 194.8:
          HN    LEU  104 - QD1   LEU  104   3.93 +/- 0.77  55.448% * 73.7718% (0.40   6.88 214.10) =  88.857%  kept
          HN    PHE   72 - QD1   LEU   73   6.09 +/- 0.94  21.048% * 21.8468% (0.18   4.56  44.16) =   9.989%  kept
          HN    PHE   72 - QD1   LEU   63   7.59 +/- 1.34  13.605% *  3.7819% (0.18   0.79  16.13) =   1.118%  kept
          HN    PHE   72 - QD1   LEU  104  11.66 +/- 1.98   2.607% *  0.5206% (0.96   0.02   0.02) =   0.029%
          HN    LEU  104 - QD1   LEU   63  11.25 +/- 1.93   5.076% *  0.0395% (0.07   0.02   0.02) =   0.004%
          HN    LEU  104 - QD1   LEU   73  12.75 +/- 1.76   2.216% *  0.0395% (0.07   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.406, support = 3.0, residual support = 16.1:
        T HB2   LYS+  99 - QD1   LEU  104   3.02 +/- 1.90  64.727% * 76.6513% (0.40 10.00   3.24  17.61) =  91.245%  kept
        T HB    VAL   43 - QD1   LEU  104  10.20 +/- 2.79  21.509% * 22.0492% (0.51 10.00   0.45   0.02) =   8.722%  kept
        T HB    ILE   89 - QD1   LEU  104  14.77 +/- 2.73   1.647% *  0.8359% (0.43 10.00   0.02   0.02) =   0.025%
        T HB2   LYS+  99 - QD1   LEU   63  12.37 +/- 1.64   0.944% *  0.1412% (0.07 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  99 - QD1   LEU   73  13.66 +/- 1.97   0.570% *  0.1412% (0.07 10.00   0.02   0.02) =   0.001%
          HB    VAL   43 - QD1   LEU   73   7.52 +/- 2.28   4.212% *  0.0181% (0.09  1.00   0.02   2.76) =   0.001%
          HB    VAL   43 - QD1   LEU   63   9.50 +/- 2.48   3.406% *  0.0181% (0.09  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   LEU  104  19.16 +/- 3.12   0.341% *  0.0836% (0.43  1.00   0.02   0.02) =   0.001%
          HB    ILE   89 - QD1   LEU   73  11.75 +/- 1.88   0.852% *  0.0154% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  13.98 +/- 2.73   0.823% *  0.0154% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.00 +/- 1.26   0.637% *  0.0154% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.63 +/- 2.47   0.331% *  0.0154% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.873, support = 2.32, residual support = 17.9:
          HB2   LYS+  99 - QD2   LEU  104   3.07 +/- 1.61  47.921% * 82.2433% (0.90  1.00   2.35  17.61) =  93.938%  kept
        T HB    VAL   43 - QD2   LEU  104   9.51 +/- 2.76  17.049% *  7.5379% (0.97 10.00   0.02   0.02) =   3.063%  kept
          HB3   GLN   17 - QG2   VAL   18   4.69 +/- 1.01  17.761% *  6.1881% (0.04  1.00   4.14  50.22) =   2.620%  kept
          HB2   LYS+  99 - QG1   VAL   41   7.03 +/- 1.94   9.899% *  1.2841% (0.05  1.00   0.68   0.02) =   0.303%  kept
        T HB    VAL   43 - QG1   VAL   41   7.71 +/- 1.10   4.305% *  0.4049% (0.05 10.00   0.02   1.44) =   0.042%
        T HB    VAL   43 - QG2   VAL   18  11.52 +/- 3.30   1.001% *  1.1583% (0.15 10.00   0.02   0.02) =   0.028%
          QD    LYS+  81 - QD2   LEU  104  18.55 +/- 2.97   0.236% *  0.7210% (0.92  1.00   0.02   0.02) =   0.004%
          HB3   GLN   17 - QD2   LEU  104  17.77 +/- 2.45   0.203% *  0.1948% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  15.91 +/- 2.15   0.270% *  0.1076% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   18  17.29 +/- 3.71   0.254% *  0.1108% (0.14  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG1   VAL   41  15.90 +/- 2.63   0.398% *  0.0387% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.89 +/- 2.89   0.704% *  0.0105% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.725, support = 3.43, residual support = 41.7:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  93.640% * 76.3515% (0.72  10.0 10.00   3.42  41.92) =  98.808%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.17 +/- 0.39   3.814% * 22.5585% (0.93   1.0  1.00   4.61  24.63) =   1.189%  kept
          HB    ILE  103 - HB2   ASP- 105   8.28 +/- 0.59   0.940% *  0.0686% (0.65   1.0  1.00   0.02   3.20) =   0.001%
        T HB2   MET   92 - HB2   ASP- 105  17.41 +/- 1.53   0.104% *  0.3750% (0.36   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB2   ASP- 105  15.23 +/- 2.79   0.208% *  0.0867% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  15.79 +/- 3.54   0.208% *  0.0646% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.25 +/- 4.82   0.535% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.36 +/- 2.44   0.123% *  0.0867% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  18.20 +/- 2.30   0.107% *  0.0922% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  17.98 +/- 2.10   0.098% *  0.0725% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  19.98 +/- 2.19   0.072% *  0.0964% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.39 +/- 1.69   0.091% *  0.0526% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.37 +/- 2.40   0.060% *  0.0725% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.65, residual support = 4.21:
        T QG2   THR  118 - HB2   ASP- 105   6.28 +/- 4.31 100.000% *100.0000% (0.54 10.00   1.65   4.21) = 100.000%  kept
    Distance limit 3.34 A violated in 8 structures by 3.06 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.65, residual support = 4.21:
        T QG2   THR  118 - HB3   ASP- 105   6.57 +/- 4.31 100.000% *100.0000% (0.57 10.00   1.65   4.21) = 100.000%  kept
    Distance limit 3.56 A violated in 9 structures by 3.09 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.882, support = 4.73, residual support = 49.7:
          HB2   PHE   97 - HB2   ASP- 105   3.78 +/- 1.26  63.369% * 55.4411% (0.89   4.95  59.15) =  72.635%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.88 +/- 1.25  29.993% * 44.1093% (0.85   4.15  24.63) =  27.352%  kept
          HB3   PHE   60 - HB2   ASP- 105  13.96 +/- 2.52   1.591% *  0.1719% (0.69   0.02   0.02) =   0.006%
          QE    LYS+  99 - HB2   ASP- 105  10.38 +/- 1.54   4.438% *  0.0590% (0.24   0.02   0.44) =   0.005%
          HB3   TRP   27 - HB2   ASP- 105  18.30 +/- 1.14   0.608% *  0.2186% (0.87   0.02   0.02) =   0.003%
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.806, support = 3.82, residual support = 54.5:
        T HB2   PHE   97 - HB3   ASP- 105   3.07 +/- 1.31  68.732% * 67.7091% (0.87 10.00   3.83  59.15) =  86.531%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.13 +/- 1.18  22.564% * 32.0903% (0.41 10.00   3.76  24.63) =  13.464%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.39 +/- 1.43   3.002% *  0.0567% (0.73  1.00   0.02   0.44) =   0.003%
          QE    LYS+ 102 - HB3   ASP- 105  10.39 +/- 1.59   3.514% *  0.0195% (0.25  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB3   ASP- 105  17.87 +/- 1.14   0.435% *  0.0700% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB3   ASP- 105  13.85 +/- 2.76   1.157% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  15.69 +/- 2.25   0.596% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 3.25, residual support = 41.9:
      O T HA    ASP- 105 - HB3   ASP- 105   2.94 +/- 0.09  99.137% * 99.8608% (0.87  10.0 10.00   3.25  41.92) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  19.78 +/- 2.92   0.488% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  24.69 +/- 1.10   0.173% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  23.45 +/- 1.18   0.203% *  0.0178% (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 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.63, residual support = 41.9:
      O   HN    ASP- 105 - HB3   ASP- 105   2.88 +/- 0.33  99.004% * 99.9603% (0.95  10.0   4.63  41.92) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  16.27 +/- 2.38   0.996% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.88, residual support = 24.6:
          HN    LYS+ 106 - HB3   ASP- 105   3.93 +/- 0.27  93.554% * 99.5477% (0.18   3.88  24.63) =  99.969%  kept
          HN    VAL   41 - HB3   ASP- 105  10.33 +/- 1.77   6.446% *  0.4523% (0.15   0.02   0.02) =   0.031%
    Distance limit 3.94 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.59, residual support = 59.1:
          QD    PHE   97 - HB2   ASP- 105   3.52 +/- 0.89  81.590% * 99.3463% (0.87   3.59  59.15) =  99.884%  kept
          HZ3   TRP   87 - HB2   ASP- 105  11.66 +/- 3.46  18.048% *  0.5202% (0.82   0.02   0.02) =   0.116%  kept
          HE3   TRP   49 - HB2   ASP- 105  22.51 +/- 2.38   0.362% *  0.1335% (0.21   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.67, residual support = 41.9:
      O   HN    ASP- 105 - HB2   ASP- 105   3.61 +/- 0.20  98.352% * 99.9603% (0.89  10.0   4.67  41.92) =  99.999%  kept
          HN    ALA   88 - HB2   ASP- 105  16.05 +/- 2.61   1.648% *  0.0397% (0.36   1.0   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.81, residual support = 24.6:
          HN    LYS+ 106 - HB2   ASP- 105   2.98 +/- 0.47  97.285% * 99.5393% (0.17   3.81  24.63) =  99.987%  kept
          HN    VAL   41 - HB2   ASP- 105  11.38 +/- 1.71   2.715% *  0.4607% (0.15   0.02   0.02) =   0.013%
    Distance limit 3.49 A violated in 0 structures by 0.07 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   3.18 +/- 0.97  97.714% * 99.9191% (0.87 10.00   1.07   2.14) =  99.998%  kept
          HA    PHE   72 - HA    LYS+ 106  13.81 +/- 2.21   2.286% *  0.0809% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 2 structures by 0.26 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.18, residual support = 11.8:
          QD    PHE   97 - HA    LYS+ 106   3.59 +/- 1.30  79.290% * 99.6019% (0.45   4.19  11.80) =  99.896%  kept
          HZ3   TRP   87 - HA    LYS+ 106   9.79 +/- 2.90  20.710% *  0.3981% (0.38   0.02   0.02) =   0.104%  kept
    Distance limit 3.91 A violated in 1 structures by 0.28 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.16, residual support = 11.7:
          HN    PHE   97 - HA    LYS+ 106   3.62 +/- 0.75  91.065% * 91.1310% (0.90   3.18  11.80) =  99.472%  kept
          HN    LEU  115 - HA    LYS+ 106  10.25 +/- 1.24   4.988% *  8.6911% (0.90   0.30   0.02) =   0.520%  kept
          HN    ASP- 113 - HA    LYS+ 106  13.28 +/- 1.09   3.947% *  0.1779% (0.28   0.02   0.02) =   0.008%
    Distance limit 3.78 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.17, residual support = 134.3:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.04 100.000% *100.0000% (0.61  10.0   5.17 134.30) = 100.000%  kept
    Distance limit 3.61 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 = 26.5:
      O   HN    VAL  107 - HA    LYS+ 106   2.22 +/- 0.07  99.839% * 99.8992% (0.99  10.0   4.58  26.49) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  20.27 +/- 2.34   0.161% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 5.35, residual support = 134.3:
      O   HN    LYS+ 106 - QB    LYS+ 106   2.99 +/- 0.29  97.563% * 99.9120% (0.18  10.0   5.35 134.30) =  99.998%  kept
          HN    VAL   41 - QB    LYS+ 106  11.31 +/- 1.48   2.437% *  0.0880% (0.15   1.0   0.02   0.02) =   0.002%
    Distance limit 3.60 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 = 5.08, residual support = 26.5:
          HN    VAL  107 - QB    LYS+ 106   3.25 +/- 0.27  99.384% * 99.6047% (0.99   5.08  26.49) =  99.998%  kept
          HN    GLY   51 - QB    LYS+ 106  19.06 +/- 2.20   0.616% *  0.3953% (1.00   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.606, support = 5.93, residual support = 134.2:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.40 +/- 0.10  85.143% * 94.0497% (0.61  10.0 10.00   5.94 134.30) =  99.913%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.20 +/- 0.75   3.647% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.051%
        T HG3   LYS+ 102 - QB    LYS+ 106  10.73 +/- 1.41   1.175% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.018%
        T HG3   LYS+  65 - QB    LYS+ 106  18.04 +/- 2.29   0.248% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QB    LYS+ 106  11.70 +/- 5.81   4.695% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.004%
        T HG3   LYS+  33 - QB    LYS+ 106  19.00 +/- 1.87   0.188% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   42 - QB    LYS+ 106   9.80 +/- 1.68   1.680% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - QB    LYS+ 106  12.73 +/- 1.51   0.807% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - QB    LYS+ 106  14.88 +/- 2.45   0.503% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QB    LYS+ 106  14.36 +/- 2.55   0.635% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  16.28 +/- 1.58   0.315% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  11.41 +/- 0.89   0.852% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.67 +/- 3.28   0.113% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.67, residual support = 5.74:
          QG2   VAL  108 - QB    LYS+ 106   3.48 +/- 0.41  77.361% * 86.8851% (1.00   2.73   5.86) =  97.740%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.38 +/- 0.65  14.442% *  9.3091% (0.98   0.30   0.43) =   1.955%  kept
          QD1   ILE  119 - QB    LYS+ 106  11.02 +/- 2.06   5.694% *  3.5881% (0.76   0.15   0.02) =   0.297%  kept
          HG3   LYS+ 112 - QB    LYS+ 106  11.90 +/- 1.25   2.503% *  0.2177% (0.34   0.02   0.02) =   0.008%
    Distance limit 3.48 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 4.53, residual support = 26.2:
          QG2   VAL  107 - QB    LYS+ 106   5.02 +/- 0.44  28.280% * 97.7630% (0.76   4.59  26.49) =  98.762%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.87 +/- 2.10  28.491% *  0.5566% (1.00   0.02   0.02) =   0.566%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  12.59 +/- 5.74  11.112% *  1.2428% (0.53   0.08   0.02) =   0.493%  kept
          QG2   THR   94 - QB    LYS+ 106   5.12 +/- 0.80  29.154% *  0.1551% (0.28   0.02   0.02) =   0.162%  kept
          HB3   LYS+ 112 - QB    LYS+ 106  12.95 +/- 1.55   2.160% *  0.1722% (0.31   0.02   0.02) =   0.013%
          QB    ALA   20 - QB    LYS+ 106  16.45 +/- 1.42   0.804% *  0.1104% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.65 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.137, support = 5.02, residual support = 103.3:
          HN    LYS+  81 - QG    LYS+  81   2.99 +/- 0.57  81.356% * 60.5287% (0.13   5.09 104.66) =  98.661%  kept
          QE    PHE   95 - HG2   LYS+ 106  10.39 +/- 0.90   2.421% *  9.9583% (0.34   0.32   0.02) =   0.483%  kept
          HE3   TRP   27 - QG    LYS+  81  13.68 +/- 3.74   1.544% * 11.3502% (0.47   0.27   0.02) =   0.351%  kept
          HN    THR   23 - QG    LYS+  81  12.85 +/- 4.51   1.640% *  7.2771% (0.25   0.32   0.02) =   0.239%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.90 +/- 0.87   4.390% *  1.7524% (0.98   0.02   0.02) =   0.154%  kept
          HN    THR   23 - HG2   LYS+  33  12.82 +/- 1.26   1.450% *  0.9406% (0.53   0.02   0.02) =   0.027%
          HE3   TRP   27 - HG2   LYS+ 106  16.10 +/- 2.05   0.703% *  1.0628% (0.59   0.02   0.02) =   0.015%
          QE    PHE   95 - QG    LYS+  81  14.41 +/- 1.75   1.227% *  0.4846% (0.27   0.02   0.02) =   0.012%
          QD    PHE   55 - HG2   LYS+ 106  18.30 +/- 2.21   0.518% *  1.0256% (0.57   0.02   0.02) =   0.011%
          HN    LEU   67 - HG2   LYS+  33  16.15 +/- 2.18   1.291% *  0.3538% (0.20   0.02   0.02) =   0.009%
          QD    PHE   55 - QG    LYS+  81  19.40 +/- 3.50   0.511% *  0.8097% (0.45   0.02   0.02) =   0.008%
          QE    PHE   95 - HG2   LYS+  33  19.74 +/- 1.52   0.373% *  1.0122% (0.57   0.02   0.02) =   0.008%
          QD    PHE   55 - HG2   LYS+  33  25.22 +/- 2.31   0.177% *  1.6912% (0.95   0.02   0.02) =   0.006%
          HN    LYS+  81 - HG2   LYS+  33  19.94 +/- 3.89   0.490% *  0.4971% (0.28   0.02   0.02) =   0.005%
          HN    LYS+  81 - HG2   LYS+ 106  19.18 +/- 2.95   0.640% *  0.3015% (0.17   0.02   0.02) =   0.004%
          HN    THR   23 - HG2   LYS+ 106  21.97 +/- 1.59   0.265% *  0.5704% (0.32   0.02   0.02) =   0.003%
          HN    LEU   67 - HG2   LYS+ 106  17.47 +/- 2.32   0.612% *  0.2146% (0.12   0.02   0.02) =   0.003%
          HN    LEU   67 - QG    LYS+  81  20.34 +/- 1.89   0.390% *  0.1694% (0.09   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.272, support = 0.689, residual support = 1.36:
          HN    GLU-  79 - QG    LYS+  81   5.79 +/- 0.91  63.063% * 80.2159% (0.27   0.70   1.39) =  98.475%  kept
          HN    VAL   70 - HG2   LYS+  33  13.73 +/- 1.87   5.772% *  4.1203% (0.49   0.02   0.02) =   0.463%  kept
          HN    GLU-  79 - HG2   LYS+  33  19.04 +/- 3.49   2.673% *  4.7924% (0.57   0.02   0.02) =   0.249%  kept
          HN    VAL   70 - HG2   LYS+ 106  16.22 +/- 3.32   4.999% *  2.4989% (0.30   0.02   0.02) =   0.243%  kept
          HN    THR   94 - HG2   LYS+ 106  11.61 +/- 1.31  10.793% *  1.0160% (0.12   0.02   0.02) =   0.213%  kept
          HN    GLU-  79 - HG2   LYS+ 106  19.42 +/- 2.54   2.311% *  2.9065% (0.34   0.02   0.02) =   0.131%  kept
          HN    THR   94 - QG    LYS+  81  12.32 +/- 1.69   7.246% *  0.8021% (0.09   0.02   0.02) =   0.113%  kept
          HN    VAL   70 - QG    LYS+  81  20.93 +/- 2.69   1.645% *  1.9727% (0.23   0.02   0.02) =   0.063%
          HN    THR   94 - HG2   LYS+  33  21.46 +/- 1.58   1.499% *  1.6752% (0.20   0.02   0.02) =   0.049%
    Distance limit 4.01 A violated in 10 structures by 1.72 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 134.3:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.90 +/- 0.64  97.245% * 99.8764% (0.18  10.0   5.66 134.30) =  99.999%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  12.49 +/- 1.16   1.812% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.47 +/- 1.44   0.390% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.54 +/- 2.17   0.553% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 4.16, residual support = 43.2:
        T HB2   PHE   95 - HB    VAL  107   2.41 +/- 0.66 100.000% *100.0000% (0.69 10.00   4.16  43.16) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 60.2:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  95.843% * 99.7352% (0.72  10.0 10.00   3.20  60.22) =  99.998%  kept
          HG2   LYS+ 121 - HB    VAL  107  12.16 +/- 4.66   1.143% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HB    VAL  107  10.57 +/- 1.54   0.924% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB    VAL  107   9.65 +/- 2.12   1.677% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  17.13 +/- 2.41   0.247% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.03 +/- 1.42   0.166% *  0.0176% (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 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.91, residual support = 60.2:
      O T QG1   VAL  107 - HB    VAL  107   2.11 +/- 0.02  96.028% * 99.5954% (0.71  10.0 10.00   3.91  60.22) =  99.997%  kept
          HD3   LYS+ 112 - HB    VAL  107   8.82 +/- 1.52   1.759% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   VAL   24 - HB    VAL  107  16.73 +/- 1.79   0.221% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL  107   9.65 +/- 2.12   1.635% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.59 +/- 2.06   0.195% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.03 +/- 1.42   0.163% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.646, support = 0.703, residual support = 6.03:
          QD2   LEU  115 - HB    VAL  107   5.49 +/- 1.19  41.260% * 75.7007% (0.67   0.75   6.65) =  90.611%  kept
          QD2   LEU   63 - HB    VAL  107   9.29 +/- 2.65  15.042% * 16.0036% (0.33   0.33   0.02) =   6.984%  kept
          QD1   LEU   63 - HB    VAL  107   8.59 +/- 2.43  18.345% *  2.1435% (0.71   0.02   0.02) =   1.141%  kept
          QD1   LEU   73 - HB    VAL  107  13.60 +/- 2.79  12.067% *  2.1435% (0.71   0.02   0.02) =   0.750%  kept
          QD1   LEU  104 - HB    VAL  107  10.59 +/- 1.07   7.417% *  1.5021% (0.50   0.02   0.02) =   0.323%  kept
          QD2   LEU   80 - HB    VAL  107  14.95 +/- 1.58   2.393% *  1.9612% (0.65   0.02   0.02) =   0.136%  kept
          QG1   VAL   83 - HB    VAL  107  13.33 +/- 1.60   3.476% *  0.5453% (0.18   0.02   0.02) =   0.055%
    Distance limit 4.02 A violated in 4 structures by 1.04 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.43, residual support = 43.2:
          QD    PHE   95 - HB    VAL  107   2.83 +/- 0.85  98.601% * 99.8135% (0.63   3.43  43.16) =  99.997%  kept
          HN    ALA   47 - HB    VAL  107  13.00 +/- 1.52   1.399% *  0.1865% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 1.73, residual support = 5.26:
          QD    PHE   97 - HB    VAL  107   5.54 +/- 1.39  84.291% * 99.0426% (0.33   1.73   5.26) =  99.820%  kept
          HZ3   TRP   87 - HB    VAL  107  12.67 +/- 1.96  15.709% *  0.9574% (0.27   0.02   0.02) =   0.180%  kept
    Distance limit 3.84 A violated in 9 structures by 1.67 A, kept.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.2:
      O   HN    VAL  107 - HB    VAL  107   2.64 +/- 0.49  99.558% * 99.8992% (0.72  10.0   3.33  60.22) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  17.21 +/- 2.51   0.442% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.61, residual support = 43.2:
          HN    PHE   95 - HB    VAL  107   4.00 +/- 0.84 100.000% *100.0000% (0.47   3.61  43.16) = 100.000%  kept
    Distance limit 4.23 A violated in 2 structures by 0.23 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.36, residual support = 60.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.05 +/- 0.05  89.804% * 99.3136% (0.99  10.0  1.00   4.36  60.22) =  99.989%  kept
        T HG13  ILE  119 - QG1   VAL  107   7.67 +/- 2.00   3.162% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+ 121 - QG1   VAL  107   9.68 +/- 4.10   1.984% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.002%
          HG13  ILE  103 - QG1   VAL  107   9.95 +/- 1.49   0.948% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   LEU   31 - QG1   VAL  107  16.25 +/- 1.24   0.199% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  15.07 +/- 2.13   0.313% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   8.91 +/- 0.65   1.190% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.54 +/- 3.33   0.497% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.49 +/- 1.63   0.310% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.50 +/- 0.52   1.317% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  22.51 +/- 3.00   0.087% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  19.17 +/- 3.15   0.189% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.91, residual support = 60.2:
      O T HB    VAL  107 - QG1   VAL  107   2.11 +/- 0.02  79.792% * 99.1597% (0.65  10.0 10.00   3.91  60.22) =  99.991%  kept
          QG    GLU-  79 - QG2   VAL   24   7.70 +/- 3.55   8.816% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 112 - QG1   VAL  107   6.79 +/- 1.34   3.718% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN  116 - QG1   VAL  107   7.04 +/- 0.91   2.483% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   45 - QG1   VAL  107   9.48 +/- 1.65   1.256% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HB    VAL  107 - QG2   VAL   24  16.73 +/- 1.79   0.184% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL   24  10.11 +/- 0.94   0.821% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  15.81 +/- 2.90   0.313% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  16.13 +/- 1.91   0.220% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.31 +/- 1.21   0.110% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  11.37 +/- 3.08   1.835% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.76 +/- 1.10   0.169% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.86 +/- 2.18   0.182% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  21.20 +/- 2.92   0.102% *  0.0064% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 60.2:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  90.542% * 99.2330% (0.65  10.0 10.00   3.20  60.22) =  99.979%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.30 +/- 0.88   4.341% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.018%
          HB3   PHE   45 - QG2   VAL  107   8.64 +/- 1.61   1.946% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   7.50 +/- 1.29   2.484% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QG2   VAL  107  15.36 +/- 1.90   0.354% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QG2   VAL  107  19.03 +/- 1.25   0.132% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  16.72 +/- 1.49   0.202% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.649, support = 0.977, residual support = 4.34:
        T QB    GLU- 114 - QG2   VAL  107   4.20 +/- 2.02  50.930% * 94.7944% (0.65 10.00   0.99   4.40) =  98.819%  kept
          HB2   LYS+ 111 - QG2   VAL  107   7.02 +/- 2.02  15.617% *  3.0193% (0.99  1.00   0.21   0.02) =   0.965%  kept
        T HB    ILE  119 - QG2   VAL  107   8.98 +/- 1.98  13.301% *  0.5202% (0.18 10.00   0.02   0.02) =   0.142%  kept
          HB3   PRO   68 - QG2   VAL  107  15.48 +/- 2.01   3.922% *  0.2379% (0.80  1.00   0.02   0.02) =   0.019%
          HG2   PRO   68 - QG2   VAL  107  14.46 +/- 2.34   5.408% *  0.1446% (0.49  1.00   0.02   0.02) =   0.016%
          QB    GLU-  15 - QG2   VAL  107  19.32 +/- 2.36   1.802% *  0.2971% (1.00  1.00   0.02   0.02) =   0.011%
          HB2   GLN   17 - QG2   VAL  107  18.85 +/- 2.01   1.614% *  0.2971% (1.00  1.00   0.02   0.02) =   0.010%
          HB    ILE   19 - QG2   VAL  107  17.31 +/- 1.73   1.581% *  0.1682% (0.57  1.00   0.02   0.02) =   0.005%
          HB3   GLU-  25 - QG2   VAL  107  21.55 +/- 1.56   0.779% *  0.2810% (0.95  1.00   0.02   0.02) =   0.004%
          HG3   GLN   30 - QG2   VAL  107  18.28 +/- 1.48   1.382% *  0.1221% (0.41  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QG2   VAL  107  16.86 +/- 1.32   1.986% *  0.0661% (0.22  1.00   0.02   0.02) =   0.003%
          HB2   GLN   30 - QG2   VAL  107  17.15 +/- 1.26   1.677% *  0.0520% (0.18  1.00   0.02   0.02) =   0.002%
    Distance limit 2.99 A violated in 6 structures by 1.20 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.633, support = 1.58, residual support = 3.59:
          QD2   LEU  115 - QG1   VAL  107   4.40 +/- 1.09  16.065% * 22.9727% (0.92  1.00   2.66   6.65) =  37.574%  kept
        T QD1   LEU   73 - QG2   VAL   24   6.17 +/- 1.84  11.879% * 23.8757% (0.23 10.00   1.09   1.39) =  28.875%  kept
        T QD1   LEU   63 - QG1   VAL  107   7.51 +/- 2.25   4.456% * 42.3575% (0.98 10.00   0.46   0.02) =  19.215%  kept
          QD2   LEU   80 - QG2   VAL   24   4.36 +/- 3.84  27.382% *  3.4771% (0.21  1.00   1.74   7.02) =   9.693%  kept
        T QG1   VAL   83 - QG2   VAL   24   5.59 +/- 4.07  18.455% *  1.7389% (0.06 10.00   0.31   0.12) =   3.267%  kept
        T QD1   LEU   73 - QG1   VAL  107  12.32 +/- 2.45   2.511% *  1.8353% (0.98 10.00   0.02   0.02) =   0.469%  kept
        T QD2   LEU   63 - QG1   VAL  107   8.22 +/- 2.39   3.109% *  0.8394% (0.45 10.00   0.02   0.02) =   0.266%  kept
        T QD1   LEU   63 - QG2   VAL   24  13.08 +/- 3.13   4.850% *  0.4362% (0.23 10.00   0.02   0.02) =   0.215%  kept
        T QD1   LEU  104 - QG1   VAL  107   9.38 +/- 1.05   1.619% *  1.2861% (0.69 10.00   0.02   0.02) =   0.212%  kept
        T QD2   LEU   63 - QG2   VAL   24  12.71 +/- 2.82   6.985% *  0.1995% (0.11 10.00   0.02   0.02) =   0.142%  kept
        T QG1   VAL   83 - QG1   VAL  107  12.27 +/- 1.29   0.916% *  0.4669% (0.25 10.00   0.02   0.02) =   0.044%
        T QD1   LEU  104 - QG2   VAL   24  14.33 +/- 2.06   0.454% *  0.3057% (0.16 10.00   0.02   0.02) =   0.014%
          QD2   LEU   80 - QG1   VAL  107  13.60 +/- 1.51   0.683% *  0.1679% (0.90  1.00   0.02   0.02) =   0.012%
          QD2   LEU  115 - QG2   VAL   24  14.93 +/- 2.08   0.637% *  0.0411% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 2.91 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.376, support = 1.07, residual support = 6.62:
          QD1   LEU  115 - QG2   VAL  107   3.93 +/- 1.44  85.188% * 97.2621% (0.38   1.07   6.65) =  99.513%  kept
          QG1   VAL   75 - QG2   VAL  107   9.06 +/- 1.03  14.812% *  2.7379% (0.57   0.02   0.02) =   0.487%  kept
    Distance limit 3.68 A violated in 4 structures by 0.67 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.853, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.69 +/- 1.44  77.250% * 58.0948% (0.90   0.02   0.02) =  82.479%  kept
          QG2   ILE   19 - QG2   VAL  107  15.63 +/- 1.61  22.750% * 41.9052% (0.65   0.02   0.02) =  17.521%  kept
    Distance limit 3.36 A violated in 20 structures by 6.19 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.62, residual support = 60.2:
      O T HA    VAL  107 - QG2   VAL  107   2.70 +/- 0.34  87.606% * 98.7213% (0.45  10.0 10.00   3.63  60.22) =  99.915%  kept
          HA    LYS+ 111 - QG2   VAL  107   6.54 +/- 1.52   8.849% *  0.7702% (0.34   1.0  1.00   0.21   0.02) =   0.079%
          HA    ALA   91 - QG2   VAL  107  11.02 +/- 1.61   1.932% *  0.1336% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          HA    PRO   52 - QG2   VAL  107  12.85 +/- 2.29   1.190% *  0.1910% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    TRP   27 - QG2   VAL  107  16.88 +/- 1.05   0.423% *  0.1839% (0.84   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.402, support = 3.36, residual support = 14.9:
          HB    VAL  108 - QG1   VAL  107   5.31 +/- 0.37  32.458% * 56.1929% (0.45  1.00   4.31  19.88) =  75.001%  kept
        T HB    ILE  119 - QG1   VAL  107   8.11 +/- 2.15  14.955% * 39.0466% (0.25 10.00   0.54   0.02) =  24.013%  kept
          HG2   PRO   58 - QG1   VAL  107  10.97 +/- 2.36   7.449% *  1.7356% (0.65  1.00   0.09   0.02) =   0.532%  kept
          HB2   PRO   93 - QG1   VAL  107   7.89 +/- 1.55  13.413% *  0.4856% (0.84  1.00   0.02   0.02) =   0.268%  kept
          HG3   PRO   52 - QG1   VAL  107  13.65 +/- 3.31   5.261% *  0.3761% (0.65  1.00   0.02   0.02) =   0.081%
          HB2   ARG+  54 - QG1   VAL  107  13.80 +/- 1.36   2.002% *  0.3059% (0.53  1.00   0.02   0.02) =   0.025%
          HB2   GLN   30 - QG2   VAL   24   8.22 +/- 0.86   9.455% *  0.0345% (0.06  1.00   0.02   0.02) =   0.013%
          HB2   PRO   93 - QG2   VAL   24  15.30 +/- 2.93   2.611% *  0.1154% (0.20  1.00   0.02   0.02) =   0.012%
          HB2   GLU-  14 - QG1   VAL  107  23.10 +/- 2.39   0.434% *  0.4222% (0.73  1.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - QG1   VAL  107  17.47 +/- 1.39   1.026% *  0.1450% (0.25  1.00   0.02   0.02) =   0.006%
          HB2   GLU-  14 - QG2   VAL   24  17.35 +/- 2.94   1.459% *  0.1003% (0.17  1.00   0.02   0.02) =   0.006%
          HG2   MET   11 - QG2   VAL   24  19.89 +/- 5.36   1.316% *  0.1056% (0.18  1.00   0.02   0.02) =   0.006%
          HG2   MET   11 - QG1   VAL  107  27.37 +/- 3.87   0.303% *  0.4443% (0.76  1.00   0.02   0.02) =   0.006%
          HB3   GLU- 100 - QG1   VAL  107  16.89 +/- 1.25   1.121% *  0.1150% (0.20  1.00   0.02   0.02) =   0.005%
          HG3   PRO   52 - QG2   VAL   24  19.94 +/- 4.75   1.295% *  0.0894% (0.15  1.00   0.02   0.02) =   0.005%
          HB2   ARG+  54 - QG2   VAL   24  19.23 +/- 3.79   1.429% *  0.0727% (0.13  1.00   0.02   0.02) =   0.004%
          HG2   PRO   58 - QG2   VAL   24  20.12 +/- 2.84   0.922% *  0.0894% (0.15  1.00   0.02   0.02) =   0.003%
          HB    VAL  108 - QG2   VAL   24  17.74 +/- 3.13   1.082% *  0.0619% (0.11  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QG2   VAL   24  17.08 +/- 2.52   1.143% *  0.0273% (0.05  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG2   VAL   24  20.92 +/- 3.09   0.866% *  0.0345% (0.06  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 12 structures by 1.62 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.821, support = 1.51, residual support = 6.81:
          HA    LEU  115 - QG1   VAL  107   3.53 +/- 2.41  46.699% * 33.4104% (0.90   1.30   6.65) =  60.235%  kept
          HA    GLU- 114 - QG1   VAL  107   5.31 +/- 1.32  15.102% * 47.8757% (0.92   1.81   4.40) =  27.913%  kept
          HA    ASN   28 - QG2   VAL   24   4.75 +/- 0.39  23.330% * 11.6905% (0.21   1.97  14.66) =  10.530%  kept
          HA    THR   26 - QG2   VAL   24   6.41 +/- 0.17   7.976% *  4.1067% (0.14   0.99   2.72) =   1.265%  kept
          HA1   GLY  101 - QG1   VAL  107  16.12 +/- 0.92   0.471% *  0.5694% (0.99   0.02   0.02) =   0.010%
          HA    ARG+  54 - QG1   VAL  107  12.66 +/- 1.58   1.167% *  0.1960% (0.34   0.02   0.02) =   0.009%
          HA    ALA   34 - QG1   VAL  107  18.17 +/- 1.45   0.371% *  0.5631% (0.98   0.02   0.02) =   0.008%
          HA1   GLY  101 - QG2   VAL   24  15.52 +/- 3.99   1.518% *  0.1353% (0.24   0.02   0.02) =   0.008%
          HA    ASN   28 - QG1   VAL  107  17.62 +/- 1.34   0.375% *  0.4983% (0.87   0.02   0.02) =   0.007%
          HA    ALA   34 - QG2   VAL   24  12.65 +/- 0.67   1.058% *  0.1338% (0.23   0.02   0.02) =   0.005%
          HA    THR   26 - QG1   VAL  107  20.98 +/- 1.35   0.227% *  0.3484% (0.61   0.02   0.02) =   0.003%
          HA    ALA  124 - QG1   VAL  107  15.01 +/- 2.59   0.491% *  0.1432% (0.25   0.02   0.02) =   0.003%
          HA    LEU  115 - QG2   VAL   24  18.59 +/- 2.20   0.302% *  0.1224% (0.21   0.02   0.02) =   0.001%
          HA    GLU- 114 - QG2   VAL   24  21.38 +/- 2.31   0.207% *  0.1260% (0.22   0.02   0.02) =   0.001%
          HA    ARG+  54 - QG2   VAL   24  18.43 +/- 3.49   0.544% *  0.0466% (0.08   0.02   0.02) =   0.001%
          HA    ALA  124 - QG2   VAL   24  26.18 +/- 3.75   0.163% *  0.0340% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.6, residual support = 60.1:
      O T HA    VAL  107 - QG1   VAL  107   2.34 +/- 0.39  81.456% * 95.9358% (0.45  10.0 10.00   4.61  60.22) =  99.710%  kept
          HA    TRP   27 - QG2   VAL   24   5.85 +/- 0.34   6.808% *  3.1768% (0.20   1.0  1.00   1.50  26.96) =   0.276%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.98 +/- 1.45   7.557% *  0.0730% (0.34   1.0  1.00   0.02   0.02) =   0.007%
          HA    PRO   52 - QG1   VAL  107  13.21 +/- 2.62   1.351% *  0.1856% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   91 - QG1   VAL  107  11.88 +/- 1.52   1.269% *  0.1298% (0.61   1.0  1.00   0.02   0.02) =   0.002%
        T HA    VAL  107 - QG2   VAL   24  17.81 +/- 1.89   0.272% *  0.2280% (0.11   1.0 10.00   0.02   0.02) =   0.001%
          HA    TRP   27 - QG1   VAL  107  17.30 +/- 1.26   0.284% *  0.1787% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL   24  15.00 +/- 3.50   0.547% *  0.0308% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.20 +/- 3.92   0.260% *  0.0441% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  20.20 +/- 3.33   0.197% *  0.0173% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.126, support = 3.4, residual support = 26.1:
          HD1   TRP   27 - QG2   VAL   24   2.27 +/- 0.45  87.846% * 67.0495% (0.12   3.49  26.96) =  96.985%  kept
          QD    PHE   59 - QG1   VAL  107   6.13 +/- 1.59   7.409% * 23.5616% (0.49   0.29   0.02) =   2.875%  kept
          HH2   TRP   49 - QG1   VAL  107  12.95 +/- 2.47   1.787% *  3.2010% (0.97   0.02   0.02) =   0.094%
          HE21  GLN   30 - QG2   VAL   24   9.94 +/- 0.86   1.701% *  0.6584% (0.20   0.02   0.02) =   0.018%
          HE21  GLN   30 - QG1   VAL  107  17.62 +/- 2.43   0.323% *  2.7705% (0.84   0.02   0.02) =   0.015%
          HD1   TRP   27 - QG1   VAL  107  16.81 +/- 1.54   0.292% *  1.6145% (0.49   0.02   0.02) =   0.008%
          HH2   TRP   49 - QG2   VAL   24  19.59 +/- 3.99   0.234% *  0.7607% (0.23   0.02   0.02) =   0.003%
          QD    PHE   59 - QG2   VAL   24  15.60 +/- 2.46   0.408% *  0.3837% (0.12   0.02   0.02) =   0.003%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 4.15, residual support = 43.2:
          QD    PHE   95 - QG2   VAL  107   2.42 +/- 0.58  95.547% * 99.5233% (0.95   4.15  43.16) =  99.991%  kept
          HN    ALA   47 - QG2   VAL  107  10.80 +/- 1.40   1.566% *  0.3878% (0.76   0.02   0.02) =   0.006%
          QE    PHE   72 - QG2   VAL  107   9.96 +/- 1.45   2.887% *  0.0889% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.874, support = 1.35, residual support = 6.26:
          HN    LEU  115 - QG2   VAL  107   4.48 +/- 1.78  55.247% * 71.8858% (0.90   1.50   6.65) =  85.697%  kept
          HN    PHE   97 - QG2   VAL  107   6.56 +/- 1.06  30.749% * 16.0735% (0.90   0.33   5.26) =  10.665%  kept
          HN    ASP- 113 - QG2   VAL  107   6.90 +/- 1.35  14.004% * 12.0407% (0.28   0.81   0.02) =   3.638%  kept
    Distance limit 3.90 A violated in 2 structures by 0.35 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.63, residual support = 19.9:
          HN    VAL  108 - QG2   VAL  107   3.68 +/- 0.44  88.126% * 99.3371% (0.57   3.64  19.88) =  99.910%  kept
          HN    VAL   43 - QG2   VAL  107   8.87 +/- 1.38  11.874% *  0.6629% (0.69   0.02   0.02) =   0.090%
    Distance limit 3.46 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.14, residual support = 60.2:
          HN    VAL  107 - QG1   VAL  107   3.33 +/- 0.60  94.875% * 99.2875% (0.99   4.14  60.22) =  99.985%  kept
          HN    GLY   51 - QG1   VAL  107  14.56 +/- 2.27   2.206% *  0.4836% (1.00   0.02   0.02) =   0.011%
          HN    GLY   51 - QG2   VAL   24  18.58 +/- 4.22   1.779% *  0.1149% (0.24   0.02   0.02) =   0.002%
          HN    VAL  107 - QG2   VAL   24  15.98 +/- 2.36   1.140% *  0.1139% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.609, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   9.36 +/- 1.25  57.804% * 80.7980% (0.69   0.02   0.02) =  85.216%  kept
          HN    VAL   43 - QG2   VAL   24  10.81 +/- 2.40  42.196% * 19.2020% (0.16   0.02   0.02) =  14.784%  kept
    Distance limit 3.53 A violated in 20 structures by 4.96 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 = 6.41:
      O   HN    ALA  110 - HA2   GLY  109   2.77 +/- 0.40  98.648% * 99.9027% (0.99  10.0   2.20   6.41) =  99.999%  kept
          HN    PHE   45 - HA2   GLY  109  12.87 +/- 1.36   1.352% *  0.0973% (0.97   1.0   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.34:
      O   HN    GLY  109 - HA2   GLY  109   2.76 +/- 0.22  97.625% * 99.5895% (0.53  10.0   2.20   9.34) =  99.996%  kept
          HN    GLN   90 - HA2   GLY  109  12.38 +/- 2.92   1.838% *  0.1791% (0.95   1.0   0.02   0.02) =   0.003%
          HN    ILE  103 - HA2   GLY  109  19.29 +/- 1.57   0.322% *  0.1893% (1.00   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA2   GLY  109  22.33 +/- 2.69   0.215% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.73, residual support = 65.1:
      O   HN    VAL  108 - HB    VAL  108   2.72 +/- 0.42  98.526% * 99.8788% (0.57  10.0   4.73  65.12) =  99.998%  kept
          HN    VAL   43 - HB    VAL  108  12.50 +/- 1.32   1.474% *  0.1212% (0.69   1.0   0.02   0.02) =   0.002%
    Distance limit 3.24 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.139, support = 3.07, residual support = 7.37:
          HN    GLY  109 - QG1   VAL  108   2.74 +/- 0.28  88.103% * 89.7979% (0.14   3.09   7.41) =  99.464%  kept
          HN    GLN   90 - QG1   VAL  108   8.69 +/- 3.33  10.289% *  3.7237% (0.87   0.02   0.02) =   0.482%  kept
          HN    ILE  103 - QG1   VAL  108  13.63 +/- 1.66   0.858% *  2.9487% (0.69   0.02   0.02) =   0.032%
          HN    SER   82 - QG1   VAL  108  16.68 +/- 3.07   0.574% *  2.9487% (0.69   0.02   0.02) =   0.021%
          HN    GLY   16 - QG1   VAL  108  23.74 +/- 2.83   0.177% *  0.5810% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 65.1:
          HN    VAL  108 - QG1   VAL  108   3.54 +/- 0.14  97.161% * 99.4660% (0.57   4.52  65.12) =  99.984%  kept
          HN    VAL   43 - QG1   VAL  108  11.94 +/- 1.10   2.839% *  0.5340% (0.69   0.02   0.02) =   0.016%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.1:
          HN    VAL  108 - QG2   VAL  108   3.02 +/- 0.60  95.836% * 99.4084% (0.57   4.08  65.12) =  99.974%  kept
          HN    VAL   43 - QG2   VAL  108   9.94 +/- 1.27   4.164% *  0.5916% (0.69   0.02   0.02) =   0.026%
    Distance limit 3.32 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.79, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.67 +/- 1.87  62.880% * 32.6470% (0.80   0.02   0.02) =  64.342%  kept
          HN    SER   82 - QG2   VAL  108  15.48 +/- 3.01  28.470% * 28.0060% (0.69   0.02   0.02) =  24.990%  kept
          HN    GLY   16 - QG2   VAL  108  22.06 +/- 2.77   8.650% * 39.3470% (0.97   0.02   0.02) =  10.668%  kept
    Distance limit 4.36 A violated in 19 structures by 5.84 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  17.19 +/- 2.63 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.91 A violated in 20 structures by 13.27 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 = 5.86:
          HA    LYS+ 106 - QG2   VAL  108   4.99 +/- 0.15 100.000% *100.0000% (0.28   1.42   5.86) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.91 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 6.54, residual support = 313.3:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.50 +/- 0.22  83.889% * 93.0958% (0.69  10.0  1.00   6.56 315.10) =  99.371%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   5.74 +/- 0.99   9.125% *  5.3144% (0.18   1.0  1.00   4.48  28.63) =   0.617%  kept
          HB3   PRO   93 - HB3   LYS+ 111   8.82 +/- 2.71   3.628% *  0.1085% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T HG3   LYS+ 106 - HB3   LYS+ 111  14.47 +/- 2.65   0.746% *  0.3379% (0.25   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HB3   LYS+ 111  13.72 +/- 2.05   0.658% *  0.1352% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+ 111  14.75 +/- 2.08   0.543% *  0.1308% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   84 - HB3   LYS+ 111  16.19 +/- 2.05   0.409% *  0.1132% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HB3   LYS+ 111  20.52 +/- 2.73   0.217% *  0.1251% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  19.43 +/- 1.22   0.200% *  0.1328% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  24.33 +/- 3.17   0.127% *  0.1834% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.07 +/- 2.67   0.168% *  0.1215% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  25.68 +/- 2.40   0.092% *  0.1036% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  23.70 +/- 2.99   0.136% *  0.0557% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.91 +/- 3.14   0.061% *  0.0418% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.355, support = 3.29, residual support = 25.7:
          HB3   LYS+ 112 - HB3   LYS+ 111   4.99 +/- 1.49  51.374% * 79.4243% (0.31  1.00   3.64  28.63) =  89.669%  kept
          QG2   VAL  107 - HB3   LYS+ 111   6.43 +/- 2.42  41.576% * 11.0659% (0.76  1.00   0.21   0.02) =  10.111%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  17.09 +/- 2.70   0.953% *  7.4289% (0.53 10.00   0.02   0.02) =   0.156%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.90 +/- 1.51   4.522% *  0.3926% (0.28  1.00   0.02   0.02) =   0.039%
          HG13  ILE  103 - HB3   LYS+ 111  18.36 +/- 2.60   0.658% *  1.4089% (1.00  1.00   0.02   0.02) =   0.020%
          QB    ALA   20 - HB3   LYS+ 111  19.73 +/- 3.82   0.916% *  0.2794% (0.20  1.00   0.02   0.02) =   0.006%
    Distance limit 3.17 A violated in 0 structures by 0.58 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.1:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.83 +/- 0.17  86.909% * 99.9336% (0.97  10.0   6.96 315.10) =  99.995%  kept
          HA    PRO   52 - HB3   LYS+ 111  12.28 +/- 4.73   6.995% *  0.0504% (0.49   1.0   0.02   0.02) =   0.004%
          HA    VAL  108 - HB3   LYS+ 111   8.56 +/- 1.87   6.096% *  0.0160% (0.15   1.0   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.49, residual support = 315.1:
      O   HN    LYS+ 111 - HB3   LYS+ 111   3.04 +/- 0.50  90.883% * 99.6823% (0.73  10.0   5.49 315.10) =  99.995%  kept
          HN    ILE   56 - HB3   LYS+ 111  11.34 +/- 3.63   7.503% *  0.0468% (0.34   1.0   0.02   0.02) =   0.004%
          HN    LEU   63 - HB3   LYS+ 111  15.01 +/- 1.88   1.147% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  20.60 +/- 1.94   0.380% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  32.64 +/- 2.60   0.088% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.1:
      O   HN    LYS+ 111 - HB2   LYS+ 111   2.96 +/- 0.71  85.908% * 99.5678% (1.00  10.0   7.06 315.10) =  99.995%  kept
          HN    ILE   56 - HB2   LYS+ 111  12.00 +/- 3.25   2.056% *  0.0834% (0.84   1.0   0.02   0.02) =   0.002%
          HN    LEU   63 - HB2   LYS+ 111  15.76 +/- 1.86   1.264% *  0.0725% (0.73   1.0   0.02   0.02) =   0.001%
          HE21  GLN   32 - HG3   GLN   30  10.48 +/- 1.17   2.683% *  0.0146% (0.15   1.0   0.02   1.74) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.48 +/- 2.09   0.341% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  16.18 +/- 2.46   1.252% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.01 +/- 0.93   4.962% *  0.0031% (0.03   1.0   0.02  18.90) =   0.000%
          HN    ALA   84 - HG3   GLN   30  17.08 +/- 3.71   0.751% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.56 +/- 2.37   0.092% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.93 +/- 2.42   0.315% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  26.62 +/- 2.27   0.182% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  25.49 +/- 2.78   0.193% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.176, support = 6.49, residual support = 313.9:
          HN    LYS+ 111 - HG2   LYS+ 111   3.48 +/- 0.98  84.963% * 92.1568% (0.18   6.52 315.10) =  99.608%  kept
          HN    ILE   56 - HG2   LYS+ 111  12.66 +/- 3.77   8.241% *  3.0347% (0.49   0.08   0.02) =   0.318%  kept
          HZ2   TRP   87 - HG2   LYS+ 111  20.91 +/- 3.45   1.466% *  1.4479% (0.90   0.02   0.02) =   0.027%
          HN    LEU   63 - HG2   LYS+ 111  16.70 +/- 2.10   1.401% *  0.9792% (0.61   0.02   0.02) =   0.017%
          QE    PHE   60 - HG2   LYS+ 111  14.62 +/- 3.67   2.751% *  0.4983% (0.31   0.02   0.02) =   0.017%
          HD21  ASN   28 - HG2   LYS+ 111  25.48 +/- 3.65   0.469% *  1.6002% (0.99   0.02   0.02) =   0.010%
          HN    ALA   84 - HG2   LYS+ 111  21.05 +/- 2.75   0.709% *  0.2827% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.00 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.646, support = 6.54, residual support = 314.8:
          HN    LYS+ 111 - HG3   LYS+ 111   3.47 +/- 0.27  77.431% * 96.7847% (0.65   6.55 315.10) =  99.911%  kept
          HN    ILE   56 - HG3   LYS+ 111  13.03 +/- 3.57   3.087% *  1.7027% (0.97   0.08   0.02) =   0.070%
          HN    LEU   63 - HG3   LYS+ 111  16.84 +/- 2.27   0.961% *  0.4559% (1.00   0.02   0.02) =   0.006%
          HN    LEU   63 - HG2   LYS+  74  10.00 +/- 2.48   6.210% *  0.0487% (0.11   0.02   0.02) =   0.004%
          HN    ILE   56 - HG2   LYS+  74  14.26 +/- 3.46   3.140% *  0.0471% (0.10   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HG3   LYS+ 111  20.66 +/- 3.43   0.842% *  0.1715% (0.38   0.02   0.02) =   0.002%
          HN    ALA   84 - HG3   LYS+ 111  20.87 +/- 2.45   0.452% *  0.2956% (0.65   0.02   0.02) =   0.002%
          HD21  ASN   28 - HG3   LYS+ 111  25.47 +/- 3.26   0.276% *  0.2587% (0.57   0.02   0.02) =   0.001%
          HD21  ASN   28 - HG2   LYS+  74  13.05 +/- 2.41   2.535% *  0.0276% (0.06   0.02   0.02) =   0.001%
          HN    ALA   84 - HG2   LYS+  74  13.57 +/- 1.53   1.430% *  0.0316% (0.07   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HG2   LYS+  74  13.89 +/- 3.07   2.255% *  0.0183% (0.04   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HG2   LYS+  74  19.11 +/- 2.63   0.583% *  0.0316% (0.07   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.74 +/- 2.69   0.097% *  0.1139% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.36 +/- 3.21   0.700% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0855, support = 5.91, residual support = 31.8:
          HN    VAL   75 - HG2   LYS+  74   3.40 +/- 0.67  93.714% * 91.8185% (0.09   5.92  31.83) =  99.852%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.29 +/- 1.24   4.843% *  1.6840% (0.11   0.09   0.02) =   0.095%
          HN    VAL   75 - HG3   LYS+ 111  18.83 +/- 2.30   0.881% *  2.9035% (0.80   0.02   0.02) =   0.030%
          HN    ASP-  78 - HG3   LYS+ 111  20.64 +/- 2.83   0.562% *  3.5939% (0.99   0.02   0.02) =   0.023%
    Distance limit 3.89 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.72, support = 1.33, residual support = 4.58:
        T HB2   LEU  115 - HA    LYS+ 112   3.67 +/- 0.94  45.718% * 67.8590% (0.76 10.00   0.75   2.75) =  80.269%  kept
          QB    GLU- 114 - HA    LYS+ 112   4.63 +/- 0.68  31.626% * 16.0705% (0.73  1.00   1.87   3.76) =  13.150%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.41 +/- 0.28  16.726% * 15.1613% (0.18  1.00   7.31  28.63) =   6.561%  kept
          HG3   PRO   58 - HA    LYS+ 112  11.83 +/- 1.57   1.917% *  0.1896% (0.80  1.00   0.02   0.02) =   0.009%
          HG2   PRO   68 - HA    LYS+ 112  17.84 +/- 2.95   0.719% *  0.2054% (0.87  1.00   0.02   0.02) =   0.004%
          HB2   LEU   67 - HA    LYS+ 112  16.93 +/- 2.74   1.210% *  0.0889% (0.38  1.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    LYS+ 112  21.23 +/- 2.95   0.329% *  0.1896% (0.80  1.00   0.02   0.02) =   0.002%
          HB    VAL   18 - HA    LYS+ 112  18.05 +/- 3.65   0.900% *  0.0415% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HA    LYS+ 112  22.19 +/- 3.86   0.430% *  0.0527% (0.22  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    LYS+ 112  23.78 +/- 3.35   0.267% *  0.0527% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  26.97 +/- 3.14   0.158% *  0.0889% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.833, support = 1.29, residual support = 4.86:
        T QD1   ILE   56 - HA    LYS+ 112   5.75 +/- 2.56  57.055% * 97.4411% (0.84 10.00   1.30   4.90) =  99.230%  kept
          QD2   LEU   73 - HA    LYS+ 112  14.40 +/- 3.83  18.056% *  2.2689% (0.57  1.00   0.45   0.02) =   0.731%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.28 +/- 1.17   7.511% *  0.1660% (0.92  1.00   0.02   0.02) =   0.022%
          QD2   LEU  123 - HA    LYS+ 112  13.62 +/- 1.89  14.949% *  0.0500% (0.28  1.00   0.02   0.02) =   0.013%
          HG    LEU   31 - HA    LYS+ 112  21.45 +/- 2.17   2.429% *  0.0739% (0.41  1.00   0.02   0.02) =   0.003%
    Distance limit 3.29 A violated in 9 structures by 2.35 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.612, support = 1.39, residual support = 4.27:
          QE    PHE   95 - HA    LYS+ 112   3.39 +/- 0.91  75.622% * 61.9315% (0.57   1.51   4.84) =  87.895%  kept
          QD    PHE   55 - HA    LYS+ 112   8.28 +/- 2.92  18.252% * 35.1908% (0.95   0.51   0.12) =  12.054%  kept
          HN    LEU   67 - HA    LYS+ 112  15.26 +/- 2.71   4.637% *  0.2873% (0.20   0.02   0.02) =   0.025%
          HE3   TRP   27 - HA    LYS+ 112  19.00 +/- 2.41   0.590% *  1.4230% (0.98   0.02   0.02) =   0.016%
          HN    THR   23 - HA    LYS+ 112  22.11 +/- 3.17   0.457% *  0.7638% (0.53   0.02   0.02) =   0.007%
          HN    LYS+  81 - HA    LYS+ 112  20.99 +/- 2.04   0.442% *  0.4036% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.74 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.77, residual support = 237.2:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.78 +/- 0.07  95.739% * 99.7200% (0.92  10.0   5.77 237.18) =  99.998%  kept
          HN    THR   46 - HA    LYS+ 112  11.19 +/- 1.60   1.890% *  0.0484% (0.45   1.0   0.02   0.02) =   0.001%
          HN    LYS+  74 - HA    LYS+ 112  17.09 +/- 3.48   0.811% *  0.0937% (0.87   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HA    LYS+ 112  11.94 +/- 1.83   1.486% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  33.28 +/- 5.38   0.075% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 237.1:
          HN    LYS+ 112 - HG2   LYS+ 112   3.91 +/- 0.54  94.186% * 98.9784% (0.41   6.23 237.18) =  99.979%  kept
          HN    ASP-  78 - HG2   LYS+ 112  16.87 +/- 2.46   1.707% *  0.5905% (0.76   0.02   0.02) =   0.011%
          HN    VAL   75 - HG2   LYS+ 112  14.02 +/- 2.39   3.828% *  0.2385% (0.31   0.02   0.02) =   0.010%
          HN    MET   11 - HG2   LYS+ 112  32.42 +/- 6.15   0.280% *  0.1927% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.98 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.751, support = 0.741, residual support = 1.03:
          QE    PHE   59 - HG2   LYS+ 112   6.91 +/- 1.51  39.259% * 53.9331% (0.90   0.75   1.29) =  65.602%  kept
          QD    PHE   60 - HG2   LYS+ 112   8.66 +/- 2.53  27.045% * 31.0153% (0.45   0.86   0.32) =  25.989%  kept
          HN    PHE   59 - HG2   LYS+ 112   8.99 +/- 2.01  18.971% * 13.2904% (0.53   0.32   1.29) =   7.812%  kept
          HN    LYS+  66 - HG2   LYS+ 112  14.46 +/- 3.71  12.624% *  1.4804% (0.92   0.02   0.02) =   0.579%  kept
          HN    LYS+  81 - HG2   LYS+ 112  20.46 +/- 2.52   2.101% *  0.2809% (0.18   0.02   0.02) =   0.018%
    Distance limit 4.14 A violated in 13 structures by 1.93 A, kept.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.2, support = 4.59, residual support = 236.4:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.67 +/- 0.49  90.604% * 93.9398% (0.20  10.0 10.00   4.61 237.18) =  99.683%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  10.96 +/- 3.16   5.611% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.309%  kept
          HB3   PHE   45 - HG2   LYS+ 112  10.59 +/- 2.50   2.627% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.003%
          HG3   MET   96 - HG2   LYS+ 112  15.11 +/- 1.73   0.660% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HG2   LYS+ 112  20.56 +/- 3.03   0.314% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HG2   LYS+ 112  27.67 +/- 3.35   0.110% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  31.49 +/- 3.45   0.074% *  0.2128% (0.45   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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.2, support = 4.63, residual support = 236.6:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.77 +/- 0.53  90.621% * 91.0220% (0.20  10.0 10.00   4.65 237.18) =  99.740%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.06 +/- 3.09   3.906% *  4.5587% (0.99   1.0 10.00   0.02   0.02) =   0.215%  kept
          HG3   MET   96 - HG3   LYS+ 112  14.35 +/- 1.22   0.898% *  3.4219% (0.69   1.0  1.00   0.22   0.02) =   0.037%
          HB3   PHE   45 - HG3   LYS+ 112  10.20 +/- 2.44   3.673% *  0.0910% (0.20   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HG3   LYS+ 112  19.95 +/- 2.73   0.660% *  0.3842% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HG3   LYS+ 112  27.41 +/- 3.07   0.150% *  0.3159% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HG3   LYS+ 112  31.16 +/- 3.11   0.091% *  0.2062% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.287, support = 1.87, residual support = 4.76:
          QE    PHE   95 - HG3   LYS+ 112   3.81 +/- 0.69  66.795% * 87.6265% (0.28   1.90   4.84) =  98.422%  kept
          HD1   TRP   49 - HG3   LYS+ 112  10.77 +/- 4.04  19.819% *  3.2058% (0.97   0.02   0.02) =   1.068%  kept
          HN    LEU   67 - HG3   LYS+ 112  15.11 +/- 3.28  11.778% *  2.2818% (0.69   0.02   0.02) =   0.452%  kept
          HD2   HIS   22 - HG3   LYS+ 112  22.65 +/- 4.55   0.645% *  3.3219% (1.00   0.02   0.02) =   0.036%
          HN    THR   23 - HG3   LYS+ 112  21.20 +/- 3.71   0.777% *  1.0253% (0.31   0.02   0.02) =   0.013%
          HD21  ASN   35 - HG3   LYS+ 112  28.41 +/- 2.91   0.185% *  2.5387% (0.76   0.02   0.02) =   0.008%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.91, residual support = 237.1:
          HN    LYS+ 112 - HG3   LYS+ 112   3.41 +/- 0.48  96.369% * 98.9235% (0.41   5.91 237.18) =  99.986%  kept
          HN    ASP-  78 - HG3   LYS+ 112  16.71 +/- 2.19   1.085% *  0.6222% (0.76   0.02   0.02) =   0.007%
          HN    VAL   75 - HG3   LYS+ 112  13.80 +/- 2.27   2.370% *  0.2513% (0.31   0.02   0.02) =   0.006%
          HN    MET   11 - HG3   LYS+ 112  32.54 +/- 6.09   0.176% *  0.2030% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.81, residual support = 237.1:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.37 +/- 0.14  93.253% * 95.1769% (0.20  10.0  1.00   3.82 237.18) =  99.957%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  10.72 +/- 2.91   3.691% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.020%
        T HG3   MET   96 - HD2   LYS+ 112  14.67 +/- 2.17   0.507% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.019%
          HB3   PHE   45 - HD2   LYS+ 112  10.12 +/- 2.44   2.024% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HD2   LYS+ 112  19.94 +/- 3.37   0.385% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HD2   LYS+ 112  27.03 +/- 3.56   0.088% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  30.96 +/- 3.66   0.052% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 237.1:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.80 +/- 0.22  90.062% * 99.7845% (0.85  10.0   5.70 237.18) =  99.988%  kept
          QB    ALA   47 - HD3   LYS+ 112   8.40 +/- 1.89   5.199% *  0.1053% (0.89   1.0   0.02   0.02) =   0.006%
          QG1   VAL   42 - HD3   LYS+ 112  10.83 +/- 2.55   4.739% *  0.1103% (0.94   1.0   0.02   0.02) =   0.006%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 3.3, residual support = 237.1:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.36 +/- 0.15  95.481% * 98.0934% (0.19  10.0   3.30 237.18) =  99.985%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  10.80 +/- 2.40   1.980% *  0.4913% (0.94   1.0   0.02   0.02) =   0.010%
          HB3   PHE   45 - HD3   LYS+ 112  10.70 +/- 2.47   1.744% *  0.0981% (0.19   1.0   0.02   0.02) =   0.002%
          HG3   MET   96 - HD3   LYS+ 112  14.92 +/- 2.06   0.447% *  0.3405% (0.65   1.0   0.02   0.02) =   0.002%
          HB3   ASP-  86 - HD3   LYS+ 112  20.41 +/- 3.11   0.220% *  0.4140% (0.79   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HD3   LYS+ 112  27.50 +/- 3.63   0.079% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  31.31 +/- 3.79   0.049% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 4.61, residual support = 237.1:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.67 +/- 0.49  74.713% * 99.5374% (0.75  10.0 10.00   4.61 237.18) =  99.968%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  10.96 +/- 3.16   4.640% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.013%
          QB    ALA   47 - QE    LYS+ 112   6.88 +/- 1.73   7.339% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.010%
          QG1   VAL   42 - QE    LYS+ 112   9.16 +/- 2.16   3.911% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA   47 - HB3   ASP-  62  12.67 +/- 3.49   6.315% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   42 - HB3   ASP-  62   9.12 +/- 1.57   3.083% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.43, support = 0.815, residual support = 4.42:
          QD1   ILE   56 - QE    LYS+ 112   4.04 +/- 1.82  34.871% * 65.5077% (0.44   0.88   4.90) =  90.188%  kept
          QD2   LEU   73 - QE    LYS+ 112  11.76 +/- 4.11   9.299% * 11.2819% (0.67   0.10   0.02) =   4.142%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.92 +/- 1.49  11.903% *  5.2713% (0.09   0.35   0.02) =   2.477%  kept
          QG2   VAL   18 - HB3   ASP-  62   8.58 +/- 1.42   5.884% *  5.4185% (0.07   0.46   0.02) =   1.259%  kept
          QG2   THR   46 - HB3   ASP-  62   9.54 +/- 3.40  12.648% *  1.8296% (0.05   0.20   0.02) =   0.914%  kept
          QG2   THR   46 - QE    LYS+ 112   6.38 +/- 1.95  13.969% *  0.8727% (0.26   0.02   0.02) =   0.481%  kept
          QG2   VAL   18 - QE    LYS+ 112  11.92 +/- 2.97   4.005% *  1.1624% (0.34   0.02   0.02) =   0.184%  kept
          QG1   VAL   43 - QE    LYS+ 112  10.97 +/- 1.85   2.079% *  1.8291% (0.54   0.02   0.02) =   0.150%  kept
          QG1   VAL   41 - QE    LYS+ 112  14.79 +/- 2.21   0.951% *  2.3618% (0.70   0.02   0.02) =   0.089%
          HG    LEU   31 - QE    LYS+ 112  18.42 +/- 2.93   0.455% *  2.6101% (0.77   0.02   0.02) =   0.047%
          QD2   LEU   73 - HB3   ASP-  62  11.34 +/- 1.87   1.636% *  0.4632% (0.14   0.02   0.02) =   0.030%
          QG1   VAL   43 - HB3   ASP-  62  12.96 +/- 1.97   1.255% *  0.3742% (0.11   0.02   0.02) =   0.019%
          QG1   VAL   41 - HB3   ASP-  62  14.60 +/- 1.44   0.720% *  0.4832% (0.14   0.02   0.02) =   0.014%
          HG    LEU   31 - HB3   ASP-  62  18.75 +/- 2.39   0.325% *  0.5340% (0.16   0.02   0.02) =   0.007%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.799, support = 4.64, residual support = 235.2:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.77 +/- 0.53  69.000% * 94.7994% (0.81  10.0 10.00   4.65 237.18) =  98.968%  kept
          HG    LEU   63 - HB3   ASP-  62   5.52 +/- 1.01  16.200% *  4.1047% (0.15   1.0  1.00   4.55  42.39) =   1.006%  kept
        T HG3   LYS+ 112 - HB3   ASP-  62  11.06 +/- 3.09   3.005% *  0.1940% (0.16   1.0 10.00   0.02   0.02) =   0.009%
          HG    LEU   63 - QE    LYS+ 112   9.23 +/- 2.80   6.007% *  0.0881% (0.75   1.0  1.00   0.02   0.02) =   0.008%
        T QG2   VAL   24 - QE    LYS+ 112  15.81 +/- 2.90   0.650% *  0.7507% (0.64   1.0 10.00   0.02   0.02) =   0.007%
          QG2   VAL  108 - QE    LYS+ 112   9.55 +/- 1.15   2.229% *  0.0245% (0.21   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   24 - HB3   ASP-  62  17.70 +/- 2.83   1.008% *  0.0154% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  15.56 +/- 1.95   0.510% *  0.0152% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  14.93 +/- 2.15   0.629% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.65 +/- 2.83   0.763% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.478, support = 0.0277, residual support = 0.02:
        T QG2   VAL  107 - QE    LYS+ 112   6.30 +/- 0.88  23.672% * 56.7403% (0.51 10.00   0.02   0.02) =  77.177%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.36 +/- 1.52  25.829% *  6.3255% (0.11  1.00   0.10   0.02) =   9.388%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.03 +/- 2.17  19.993% *  6.0517% (0.54  1.00   0.02   0.02) =   6.952%  kept
          QB    ALA   20 - QE    LYS+ 112  13.78 +/- 3.85   6.365% *  9.3341% (0.83  1.00   0.02   0.02) =   3.414%  kept
          HG2   LYS+ 121 - QE    LYS+ 112  14.29 +/- 1.76   2.169% *  7.8139% (0.70  1.00   0.02   0.02) =   0.974%  kept
          QB    ALA   20 - HB3   ASP-  62  12.48 +/- 2.66   6.651% *  1.9098% (0.17  1.00   0.02   0.02) =   0.730%  kept
          HG2   LYS+ 121 - HB3   ASP-  62  13.88 +/- 2.30   4.693% *  1.5987% (0.14  1.00   0.02   0.02) =   0.431%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.90 +/- 1.83   5.124% *  1.1609% (0.10  1.00   0.02   0.02) =   0.342%  kept
          HB3   LEU   31 - QE    LYS+ 112  19.39 +/- 2.78   0.947% *  5.6740% (0.51  1.00   0.02   0.02) =   0.309%  kept
          HG13  ILE  103 - QE    LYS+ 112  15.45 +/- 1.50   1.723% *  1.8513% (0.17  1.00   0.02   0.02) =   0.183%  kept
          HB3   LEU   31 - HB3   ASP-  62  19.77 +/- 2.32   0.890% *  1.1609% (0.10  1.00   0.02   0.02) =   0.059%
          HG13  ILE  103 - HB3   ASP-  62  18.47 +/- 3.25   1.943% *  0.3788% (0.03  1.00   0.02   0.02) =   0.042%
    Distance limit 3.18 A violated in 8 structures by 1.68 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.791, support = 1.02, residual support = 3.98:
          QE    PHE   95 - QE    LYS+ 112   3.74 +/- 1.16  36.710% * 56.2790% (0.82   1.16   4.84) =  81.853%  kept
          QD    PHE   55 - QE    LYS+ 112   6.11 +/- 2.25  21.333% * 18.4906% (0.72   0.43   0.12) =  15.628%  kept
          HD1   TRP   49 - QE    LYS+ 112   9.36 +/- 2.85   6.037% *  6.3375% (0.26   0.41   0.02) =   1.516%  kept
          HN    THR   23 - QE    LYS+ 112  18.08 +/- 3.55   0.609% * 14.8205% (0.81   0.31   0.02) =   0.357%  kept
          QE    PHE   95 - HB3   ASP-  62   8.54 +/- 2.56  11.478% *  0.7844% (0.17   0.08   0.02) =   0.357%  kept
          HN    LEU   67 - QE    LYS+ 112  12.64 +/- 2.40   3.772% *  0.6410% (0.54   0.02   0.02) =   0.096%
          QD    PHE   55 - HB3   ASP-  62  10.72 +/- 1.05   1.975% *  1.0656% (0.15   0.12   0.02) =   0.083%
          HN    LEU   67 - HB3   ASP-  62   7.12 +/- 1.32   8.839% *  0.1311% (0.11   0.02   0.02) =   0.046%
          HE3   TRP   27 - QE    LYS+ 112  15.89 +/- 2.95   0.831% *  0.7934% (0.67   0.02   0.02) =   0.026%
          HN    THR   23 - HB3   ASP-  62  18.44 +/- 3.53   2.253% *  0.1957% (0.16   0.02   0.02) =   0.017%
          HE3   TRP   27 - HB3   ASP-  62  15.74 +/- 2.41   1.131% *  0.1623% (0.14   0.02   0.02) =   0.007%
          HD2   HIS   22 - QE    LYS+ 112  19.25 +/- 4.46   0.600% *  0.1961% (0.17   0.02   0.02) =   0.005%
          HD1   TRP   49 - HB3   ASP-  62  16.38 +/- 4.72   1.761% *  0.0626% (0.05   0.02   0.02) =   0.004%
          HD2   HIS   22 - HB3   ASP-  62  18.53 +/- 4.46   2.672% *  0.0401% (0.03   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.846, support = 3.45, residual support = 23.4:
          HN    GLU- 114 - QB    ASP- 113   3.04 +/- 0.37  72.273% * 75.7544% (0.84   3.66  25.27) =  92.025%  kept
          HN    GLN  116 - QB    ASP- 113   4.90 +/- 0.35  20.209% * 23.3469% (0.98   0.96   1.87) =   7.931%  kept
          HN    THR  118 - QB    ASP- 113   7.67 +/- 0.46   4.865% *  0.3964% (0.80   0.02   0.02) =   0.032%
          HN    PHE   60 - QB    ASP- 113  11.02 +/- 1.82   2.078% *  0.2803% (0.57   0.02   0.02) =   0.010%
          HN    LEU   71 - QB    ASP- 113  19.24 +/- 3.75   0.574% *  0.2220% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 14.4:
      O   HN    ASP- 113 - QB    ASP- 113   2.20 +/- 0.23  99.500% * 99.9821% (0.98  10.0   3.46  14.37) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  13.93 +/- 1.62   0.500% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.429, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   6.40 +/- 2.90  77.183% * 39.4133% (0.41 10.00   0.02   0.02) =  89.989%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.41 +/- 1.41   5.087% * 50.4393% (0.53 10.00   0.02   0.02) =   7.591%  kept
          HB    ILE   89 - HA    ASP- 113  18.78 +/- 1.75   7.786% *  8.8499% (0.92  1.00   0.02   0.02) =   2.038%  kept
          HB    VAL   43 - HA    ASP- 113  17.54 +/- 1.60   9.943% *  1.2975% (0.14  1.00   0.02   0.02) =   0.382%  kept
    Distance limit 3.72 A violated in 12 structures by 2.86 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 4.58, residual support = 51.0:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.05  34.976% * 51.8917% (0.84  10.0   3.79  43.39) =  73.218%  kept
      O   HN    GLN  116 - HA    LEU  115   3.57 +/- 0.06  16.936% * 28.0248% (0.45  10.0   7.85  98.67) =  19.148%  kept
          HN    GLN  116 - HA    GLU- 114   4.25 +/- 0.40  10.763% * 13.0568% (0.98   1.0   4.29   2.01) =   5.669%  kept
          HN    GLU- 114 - HA    LEU  115   5.07 +/- 0.16   5.968% *  5.2012% (0.38   1.0   4.36  21.68) =   1.252%  kept
          HN    THR  118 - HA    LEU  115   3.36 +/- 0.38  22.024% *  0.4904% (0.37   1.0   0.43   0.16) =   0.436%  kept
          HN    THR  118 - HA    GLU- 114   5.36 +/- 0.85   6.377% *  1.0042% (0.80   1.0   0.40   0.10) =   0.258%  kept
          HN    PHE   60 - HA    LEU  115   8.74 +/- 1.52   1.654% *  0.2551% (0.26   1.0   0.32   0.02) =   0.017%
          HN    PHE   60 - HA    GLU- 114  11.93 +/- 1.40   0.508% *  0.0352% (0.57   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  15.61 +/- 4.38   0.586% *  0.0128% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.40 +/- 4.55   0.207% *  0.0279% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.663, support = 6.23, residual support = 116.7:
      O   HN    LEU  115 - HA    GLU- 114   3.55 +/- 0.06  28.637% * 65.9247% (0.90  10.0   4.87  21.68) =  51.858%  kept
      O   HN    LEU  115 - HA    LEU  115   2.82 +/- 0.06  56.690% * 30.3393% (0.41  10.0   7.77 222.74) =  47.245%  kept
          HN    ASP- 113 - HA    GLU- 114   5.24 +/- 0.10   8.964% *  3.6303% (0.28   1.0   3.55  25.27) =   0.894%  kept
          HN    PHE   97 - HA    LEU  115  10.56 +/- 2.08   1.408% *  0.0303% (0.41   1.0   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    GLU- 114  13.73 +/- 1.44   0.546% *  0.0659% (0.90   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   7.00 +/- 0.26   3.755% *  0.0094% (0.13   1.0   0.02   0.02) =   0.001%
    Distance limit 3.36 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 = 4.11, residual support = 41.9:
      O   HN    GLU- 114 - QB    GLU- 114   2.34 +/- 0.18  80.128% * 75.1229% (0.81  10.0   4.11  43.39) =  96.371%  kept
          HN    GLN  116 - QB    GLU- 114   4.95 +/- 0.31   9.092% * 20.9049% (0.95   1.0   4.74   2.01) =   3.043%  kept
          HN    THR  118 - QB    GLU- 114   5.72 +/- 0.98   9.411% *  3.8809% (0.77   1.0   1.08   0.10) =   0.585%  kept
          HN    PHE   60 - QB    GLU- 114  10.99 +/- 1.46   0.942% *  0.0509% (0.55   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    GLU- 114  17.13 +/- 4.26   0.428% *  0.0403% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.826, support = 5.45, residual support = 21.9:
          HN    LEU  115 - QB    GLU- 114   3.27 +/- 0.37  71.896% * 83.2536% (0.87   5.59  21.68) =  93.308%  kept
          HN    ASP- 113 - QB    GLU- 114   4.72 +/- 0.29  26.063% * 16.4485% (0.27   3.56  25.27) =   6.683%  kept
          HN    PHE   97 - QB    GLU- 114  11.39 +/- 1.75   2.041% *  0.2979% (0.87   0.02   0.02) =   0.009%
    Distance limit 3.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.86, support = 4.22, residual support = 35.4:
          HN    GLU- 114 - QG    GLU- 114   2.50 +/- 0.48  73.425% * 45.9647% (0.83   4.32  43.39) =  80.735%  kept
          HN    GLN  116 - QG    GLU- 114   4.87 +/- 0.71  15.483% * 49.5475% (0.98   3.97   2.01) =  18.352%  kept
          HN    THR  118 - QG    GLU- 114   5.99 +/- 1.05   8.962% *  4.2292% (0.80   0.41   0.10) =   0.907%  kept
          HN    PHE   60 - QG    GLU- 114  10.65 +/- 1.44   1.288% *  0.1443% (0.56   0.02   0.02) =   0.004%
          HN    LEU   71 - QG    GLU- 114  16.84 +/- 3.50   0.842% *  0.1143% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.75, residual support = 21.7:
          HN    LEU  115 - QG    GLU- 114   2.95 +/- 1.00  96.112% * 98.5326% (0.45   5.75  21.68) =  99.985%  kept
          HN    PHE   97 - QG    GLU- 114  10.89 +/- 1.33   3.366% *  0.3426% (0.45   0.02   0.02) =   0.012%
          HN    ASN   35 - QG    GLU- 114  23.88 +/- 1.73   0.350% *  0.4020% (0.52   0.02   0.02) =   0.001%
          HN    ALA   12 - QG    GLU- 114  30.39 +/- 3.40   0.172% *  0.7228% (0.94   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 1.66, residual support = 4.24:
          QG1   VAL  107 - QG    GLU- 114   3.50 +/- 1.40  71.228% * 52.2357% (0.98   1.69   4.40) =  79.831%  kept
          HD3   LYS+ 112 - QG    GLU- 114   6.54 +/- 1.25  22.122% * 41.1473% (0.83   1.56   3.76) =  19.531%  kept
          HG13  ILE  119 - QG    GLU- 114   8.95 +/- 1.19   5.073% *  5.7677% (0.22   0.82   0.02) =   0.628%  kept
          QG1   VAL   24 - QG    GLU- 114  18.33 +/- 2.58   0.595% *  0.5819% (0.92   0.02   0.02) =   0.007%
          QG2   VAL   24 - QG    GLU- 114  17.80 +/- 2.26   0.621% *  0.1104% (0.17   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG    GLU- 114  20.40 +/- 1.42   0.361% *  0.1572% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 0 structures by 0.28 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.586, support = 0.98, residual support = 4.31:
        T QG2   VAL  107 - QB    GLU- 114   4.20 +/- 2.02  67.599% * 92.5262% (0.59 10.00   0.99   4.40) =  98.081%  kept
          HG13  ILE  119 - QB    GLU- 114   9.05 +/- 1.18  17.864% *  6.6581% (0.62  1.00   0.67   0.02) =   1.865%  kept
          HG2   LYS+ 121 - QB    GLU- 114  11.49 +/- 2.17   8.438% *  0.2583% (0.81  1.00   0.02   0.02) =   0.034%
          QB    ALA   20 - QB    GLU- 114  17.74 +/- 3.12   2.938% *  0.3086% (0.96  1.00   0.02   0.02) =   0.014%
          HB3   LEU   31 - QB    GLU- 114  20.88 +/- 1.98   1.013% *  0.1876% (0.59  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - QB    GLU- 114  14.55 +/- 2.21   2.149% *  0.0612% (0.19  1.00   0.02   0.02) =   0.002%
    Distance limit 3.09 A violated in 7 structures by 1.18 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.909, support = 6.43, residual support = 216.9:
      O T HA    LEU  115 - HB3   LEU  115   2.43 +/- 0.18  85.476% * 66.5643% (0.92  10.0 10.00   6.50 222.74) =  97.072%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.31 +/- 0.32   5.278% * 32.3284% (0.45   1.0 10.00   3.85  21.68) =   2.911%  kept
        T HA    ARG+  54 - HB3   LEU  115  11.23 +/- 2.24   1.381% *  0.6023% (0.84   1.0 10.00   0.02   0.02) =   0.014%
        T HA    LEU  115 - HB3   LEU   40  16.21 +/- 2.51   0.404% *  0.0781% (0.11   1.0 10.00   0.02   0.02) =   0.001%
        T HA    ARG+  54 - HB3   LEU   40  20.98 +/- 4.48   0.264% *  0.0707% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.32 +/- 1.15   2.386% *  0.0068% (0.09   1.0  1.00   0.02   0.37) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.21 +/- 1.20   0.263% *  0.0524% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  21.03 +/- 2.08   0.166% *  0.0682% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  21.68 +/- 2.24   0.152% *  0.0577% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  19.74 +/- 2.91   0.225% *  0.0379% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  11.14 +/- 1.68   1.264% *  0.0051% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.43 +/- 1.65   0.138% *  0.0437% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  18.32 +/- 7.26   0.774% *  0.0061% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  19.31 +/- 1.61   0.192% *  0.0223% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.39 +/- 1.69   0.256% *  0.0148% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.43 +/- 1.39   0.444% *  0.0080% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  24.16 +/- 2.46   0.111% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  27.43 +/- 2.53   0.071% *  0.0161% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.06 +/- 0.32   0.577% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  21.62 +/- 2.75   0.181% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 222.7:
      O T QD1   LEU  115 - HB3   LEU  115   2.38 +/- 0.33  95.740% * 99.7570% (0.87  10.0 10.00   6.31 222.74) =  99.996%  kept
          QG1   VAL   75 - HB3   LEU  115  10.63 +/- 1.52   2.249% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   LEU  115 - HB3   LEU   40  13.45 +/- 1.99   0.704% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   75 - HB3   LEU   40  11.80 +/- 1.59   1.307% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.42, residual support = 221.9:
      O T QD2   LEU  115 - HB3   LEU  115   2.68 +/- 0.43  49.321% * 96.3405% (0.45  10.0 10.00   7.44 222.74) =  99.605%  kept
          QG2   VAL   41 - HB3   LEU   40   6.03 +/- 0.63   5.535% *  1.9680% (0.04   1.0  1.00   4.16  20.19) =   0.228%  kept
          QD1   LEU   63 - HB3   LEU  115   6.88 +/- 2.59   6.683% *  0.8047% (0.80   1.0  1.00   0.09   0.02) =   0.113%  kept
          QD1   LEU   73 - HB3   LEU  115  13.59 +/- 3.90   8.751% *  0.1721% (0.80   1.0  1.00   0.02   0.02) =   0.032%
          QD2   LEU   63 - HB3   LEU  115   8.01 +/- 2.19   3.005% *  0.1984% (0.92   1.0  1.00   0.02   0.02) =   0.012%
          QD1   LEU   63 - HB3   LEU   40   8.94 +/- 1.83   4.012% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   LEU   40   7.92 +/- 1.34   3.120% *  0.0233% (0.11   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HB3   LEU   40  13.72 +/- 1.79   0.508% *  0.1130% (0.05   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU   40   7.07 +/- 1.54   7.401% *  0.0056% (0.03   1.0  1.00   0.02   9.40) =   0.001%
          QD1   LEU  104 - HB3   LEU   40   7.47 +/- 2.08   6.606% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU  115  14.14 +/- 1.82   0.397% *  0.0806% (0.38   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HB3   LEU   40  10.30 +/- 1.93   1.574% *  0.0202% (0.09   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   LEU  115  13.06 +/- 1.63   0.607% *  0.0478% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB3   LEU  115  15.74 +/- 1.62   0.286% *  0.0883% (0.41   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   LEU  115  13.61 +/- 1.43   0.518% *  0.0478% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   80 - HB3   LEU  115  15.93 +/- 1.91   0.278% *  0.0478% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  14.00 +/- 2.54   0.604% *  0.0104% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  14.63 +/- 3.16   0.796% *  0.0056% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.942, support = 7.46, residual support = 83.2:
          HN    GLN  116 - HB3   LEU  115   3.92 +/- 0.42  30.845% * 65.4623% (0.98   8.52  98.67) =  82.256%  kept
          HN    GLU- 114 - HB3   LEU  115   5.73 +/- 0.56  10.532% * 21.4299% (0.84   3.27  21.68) =   9.194%  kept
          HN    THR  118 - HB3   LEU  115   5.03 +/- 0.43  15.581% * 11.0808% (0.80   1.77   0.16) =   7.033%  kept
          HN    LEU   71 - HB3   LEU   40   4.32 +/- 1.60  31.401% *  0.9759% (0.05   2.37   1.73) =   1.248%  kept
          HN    PHE   60 - HB3   LEU  115   7.35 +/- 1.77   6.896% *  0.9222% (0.57   0.21   0.02) =   0.259%  kept
          HN    LEU   71 - HB3   LEU  115  14.99 +/- 4.26   2.607% *  0.0703% (0.45   0.02   0.02) =   0.007%
          HN    PHE   60 - HB3   LEU   40  14.76 +/- 2.83   1.154% *  0.0104% (0.07   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  16.32 +/- 3.36   0.452% *  0.0147% (0.09   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.06 +/- 2.23   0.302% *  0.0180% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.03 +/- 2.38   0.230% *  0.0154% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 7.5, residual support = 222.5:
      O   HN    LEU  115 - HB3   LEU  115   3.27 +/- 0.34  83.675% * 98.7850% (0.90  10.0   7.51 222.74) =  99.877%  kept
          HN    ASP- 113 - HB3   LEU  115   6.94 +/- 0.68   9.002% *  1.0894% (0.28   1.0   0.71   0.02) =   0.118%  kept
          HN    PHE   97 - HB3   LEU  115  10.69 +/- 1.79   3.154% *  0.0988% (0.90   1.0   0.02   0.02) =   0.004%
          HN    PHE   97 - HB3   LEU   40  10.44 +/- 1.07   3.065% *  0.0116% (0.11   1.0   0.02   1.69) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.04 +/- 2.21   0.675% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.24 +/- 2.47   0.429% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 0.75, residual support = 2.74:
        T HA    LYS+ 112 - HB2   LEU  115   3.67 +/- 0.94  88.288% * 95.7223% (0.69 10.00   0.75   2.75) =  99.821%  kept
          HB2   HIS  122 - HB2   LEU  115  12.64 +/- 1.64   3.574% *  4.0514% (0.41  1.00   0.53   0.02) =   0.171%  kept
          HB    THR   46 - HB2   LEU  115   9.86 +/- 2.19   7.475% *  0.0735% (0.20  1.00   0.02   0.02) =   0.006%
          HB2   HIS   22 - HB2   LEU  115  22.69 +/- 4.41   0.663% *  0.1528% (0.41  1.00   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.35 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.959, support = 1.77, residual support = 9.26:
          QE    PHE   95 - HB2   LEU  115   3.23 +/- 0.73  78.547% * 46.9229% (0.98   1.70  10.51) =  81.776%  kept
          QD    PHE   55 - HB2   LEU  115   8.93 +/- 2.07  15.937% * 51.4303% (0.87   2.10   3.66) =  18.186%  kept
          HN    LEU   67 - HB2   LEU  115  13.24 +/- 2.12   2.345% *  0.3649% (0.65   0.02   0.02) =   0.019%
          HE3   TRP   27 - HB2   LEU  115  17.40 +/- 2.32   0.710% *  0.4517% (0.80   0.02   0.02) =   0.007%
          HD1   TRP   49 - HB2   LEU  115  13.97 +/- 3.58   1.715% *  0.1741% (0.31   0.02   0.02) =   0.007%
          HN    THR   23 - HB2   LEU  115  21.17 +/- 2.92   0.388% *  0.5444% (0.97   0.02   0.02) =   0.005%
          HD2   HIS   22 - HB2   LEU  115  22.73 +/- 4.12   0.358% *  0.1116% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.761, support = 7.2, residual support = 91.4:
          HN    GLN  116 - HB2   LEU  115   3.64 +/- 0.61  50.159% * 80.8550% (0.80   7.55  98.67) =  90.704%  kept
          HN    GLU- 114 - HB2   LEU  115   4.96 +/- 0.52  22.136% * 17.7901% (0.34   3.90  21.68) =   8.807%  kept
          HN    THR  118 - HB2   LEU  115   5.37 +/- 0.57  20.012% *  0.9925% (0.98   0.08   0.16) =   0.444%  kept
          HN    PHE   60 - HB2   LEU  115   7.91 +/- 1.47   7.445% *  0.2620% (0.98   0.02   0.02) =   0.044%
          HN    GLU-  15 - HB2   LEU  115  24.42 +/- 2.96   0.249% *  0.1003% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.895, support = 7.33, residual support = 222.2:
      O   HN    LEU  115 - HB2   LEU  115   2.60 +/- 0.46  89.968% * 96.9742% (0.90  10.0   7.34 222.74) =  99.738%  kept
          HN    ASP- 113 - HB2   LEU  115   6.06 +/- 0.88   7.734% *  2.9289% (0.28   1.0   1.95   0.02) =   0.259%  kept
          HN    PHE   97 - HB2   LEU  115  10.90 +/- 1.65   2.298% *  0.0970% (0.90   1.0   0.02   0.02) =   0.003%
    Distance limit 3.15 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 = 0.609, support = 6.29, residual support = 75.2:
      O   HN    GLN  116 - HA    LEU  115   3.57 +/- 0.06  16.222% * 66.1666% (0.82  10.0   7.85  98.67) =  62.126%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.05  33.499% * 15.4268% (0.19  10.0   3.79  43.39) =  29.912%  kept
          HN    GLU- 114 - HA    LEU  115   5.07 +/- 0.16   5.717% * 12.2800% (0.70   1.0   4.36  21.68) =   4.063%  kept
          HN    GLN  116 - HA    GLU- 114   4.25 +/- 0.40  10.312% *  3.8816% (0.22   1.0   4.29   2.01) =   2.317%  kept
          HN    THR  118 - HA    LEU  115   3.36 +/- 0.38  21.089% *  1.1578% (0.67   1.0   0.43   0.16) =   1.413%  kept
          HN    THR  118 - HA    GLU- 114   5.36 +/- 0.85   6.107% *  0.2985% (0.18   1.0   0.40   0.10) =   0.106%  kept
          HN    PHE   60 - HA    LEU  115   8.74 +/- 1.52   1.585% *  0.6022% (0.47   1.0   0.32   0.02) =   0.055%
          HN    PHE   60 - HA    ARG+  54   7.63 +/- 1.78   2.828% *  0.0214% (0.27   1.0   0.02   0.02) =   0.004%
          HN    GLN  116 - HA    ARG+  54  11.50 +/- 1.07   0.544% *  0.0371% (0.46   1.0   0.02   0.02) =   0.001%
          HN    LEU   71 - HA    LEU  115  15.61 +/- 4.38   0.562% *  0.0303% (0.37   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HA    ARG+  54  12.98 +/- 1.48   0.385% *  0.0316% (0.39   1.0   0.02   0.02) =   0.001%
          HN    THR  118 - HA    ARG+  54  14.25 +/- 1.48   0.290% *  0.0303% (0.37   1.0   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    GLU- 114  11.93 +/- 1.40   0.487% *  0.0105% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  18.75 +/- 3.83   0.173% *  0.0170% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  19.40 +/- 4.55   0.199% *  0.0083% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.682, support = 7.41, residual support = 198.0:
      O   HN    LEU  115 - HA    LEU  115   2.82 +/- 0.06  55.370% * 77.4263% (0.75  10.0   7.77 222.74) =  87.669%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.55 +/- 0.06  27.970% * 21.1843% (0.20  10.0   4.87  21.68) =  12.117%  kept
          HN    ASP- 113 - HA    GLU- 114   5.24 +/- 0.10   8.755% *  1.1666% (0.06   1.0   3.55  25.27) =   0.209%  kept
          HN    PHE   97 - HA    LEU  115  10.56 +/- 2.08   1.375% *  0.0774% (0.75   1.0   0.02   0.02) =   0.002%
          HN    ASP- 113 - HA    LEU  115   7.00 +/- 0.26   3.667% *  0.0240% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LEU  115 - HA    ARG+  54  12.00 +/- 1.25   0.810% *  0.0434% (0.42   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    ARG+  54  11.58 +/- 2.29   1.209% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  18.63 +/- 3.33   0.310% *  0.0434% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.73 +/- 1.44   0.534% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.775, support = 7.43, residual support = 221.4:
          HN    LEU  115 - HG    LEU  115   2.90 +/- 0.96  77.467% * 94.9383% (0.78   7.47 222.74) =  99.412%  kept
          HN    ASP- 113 - HG    LEU  115   5.63 +/- 1.29  11.183% *  2.8043% (0.24   0.71   0.02) =   0.424%  kept
          HN    PHE   97 - HG    LEU   40   8.44 +/- 1.14   5.805% *  1.8900% (0.26   0.44   1.69) =   0.148%  kept
          HN    PHE   97 - HG    LEU  115  11.64 +/- 1.84   4.318% *  0.2543% (0.78   0.02   0.02) =   0.015%
          HN    LEU  115 - HG    LEU   40  16.31 +/- 2.13   0.796% *  0.0864% (0.26   0.02   0.02) =   0.001%
          HN    ASP- 113 - HG    LEU   40  19.55 +/- 2.39   0.431% *  0.0268% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115   9.70 +/- 1.78 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.89 A violated in 20 structures by 5.81 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 1.75, residual support = 8.65:
          QE    PHE   95 - QD1   LEU  115   2.53 +/- 0.72  79.840% * 34.5183% (0.57   1.70  10.51) =  72.952%  kept
          QD    PHE   55 - QD1   LEU  115   6.77 +/- 1.87  15.932% * 64.0575% (0.95   1.88   3.66) =  27.015%  kept
          HE3   TRP   27 - QD1   LEU  115  13.69 +/- 2.06   0.903% *  0.7043% (0.98   0.02   0.02) =   0.017%
          HN    LEU   67 - QD1   LEU  115  10.64 +/- 1.76   2.410% *  0.1422% (0.20   0.02   0.02) =   0.009%
          HN    THR   23 - QD1   LEU  115  16.61 +/- 2.74   0.530% *  0.3780% (0.53   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD1   LEU  115  16.51 +/- 1.56   0.386% *  0.1998% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.16 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 4.46, residual support = 29.1:
          QD    PHE   59 - QD1   LEU  115   3.05 +/- 0.81  87.134% * 98.7167% (0.95   4.47  29.11) =  99.940%  kept
          HH2   TRP   49 - QD1   LEU  115   9.88 +/- 2.75  10.795% *  0.3903% (0.84   0.02   0.02) =   0.049%
          HE21  GLN   30 - QD1   LEU  115  16.24 +/- 2.85   1.048% *  0.4510% (0.97   0.02   0.02) =   0.005%
          HD1   TRP   27 - QD1   LEU  115  15.84 +/- 2.20   1.022% *  0.4420% (0.95   0.02   0.02) =   0.005%
    Distance limit 3.51 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.52, residual support = 10.5:
          QD    PHE   95 - QD2   LEU  115   3.83 +/- 0.71  87.971% * 99.5813% (0.84   1.52  10.51) =  99.943%  kept
          HN    ALA   47 - QD2   LEU  115   9.19 +/- 1.55  12.029% *  0.4187% (0.27   0.02   0.02) =   0.057%
    Distance limit 3.49 A violated in 1 structures by 0.48 A, kept.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.892, support = 2.76, residual support = 29.0:
          QE    PHE   59 - QD2   LEU  115   2.38 +/- 0.73  71.304% * 77.4676% (0.89   2.91  29.11) =  93.702%  kept
          HN    PHE   59 - QD2   LEU  115   5.00 +/- 1.21  23.496% * 15.1299% (0.93   0.54  29.11) =   6.030%  kept
          HN    HIS  122 - QD2   LEU  115   8.79 +/- 1.27   2.168% *  6.9270% (0.43   0.54   0.02) =   0.255%  kept
          HN    LYS+  66 - QD2   LEU  115  10.27 +/- 1.25   2.403% *  0.2589% (0.43   0.02   0.02) =   0.011%
          HH2   TRP   87 - QD2   LEU  115  14.74 +/- 1.63   0.629% *  0.2167% (0.36   0.02   0.02) =   0.002%
    Distance limit 2.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.606, support = 3.89, residual support = 14.9:
        T QD1   ILE  119 - HA    GLN  116   3.02 +/- 0.90  85.110% * 99.5742% (0.61 10.00   3.89  14.95) =  99.990%  kept
          HB    VAL   75 - HA    GLN  116  15.24 +/- 2.08   1.360% *  0.1553% (0.95  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HA    GLN  116  12.02 +/- 2.87   3.189% *  0.0560% (0.34  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    GLN  116  13.49 +/- 2.18   2.243% *  0.0616% (0.38  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HA    GLN  116  11.77 +/- 1.62   4.169% *  0.0325% (0.20  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - HA    GLN  116  13.86 +/- 1.78   1.815% *  0.0409% (0.25  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HA    GLN  116  15.54 +/- 2.48   1.157% *  0.0507% (0.31  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HA    GLN  116  17.00 +/- 3.07   0.958% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.925, support = 6.07, residual support = 95.7:
          QD2   LEU  115 - HA    GLN  116   3.08 +/- 0.97  61.926% * 89.1502% (0.92   6.24  98.67) =  97.020%  kept
          QD1   LEU   63 - HA    GLN  116   7.12 +/- 2.61  18.757% *  7.5204% (0.98   0.50   0.02) =   2.479%  kept
          QD1   LEU   73 - HA    GLN  116  15.61 +/- 3.94  10.345% *  2.6233% (0.98   0.17   0.02) =   0.477%  kept
          QD2   LEU   63 - HA    GLN  116   8.41 +/- 2.56   7.288% *  0.1387% (0.45   0.02   0.02) =   0.018%
          QD1   LEU  104 - HA    GLN  116  14.41 +/- 2.44   0.880% *  0.2126% (0.69   0.02   0.02) =   0.003%
          QD2   LEU   80 - HA    GLN  116  18.42 +/- 1.96   0.415% *  0.2775% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   83 - HA    GLN  116  18.10 +/- 1.99   0.390% *  0.0772% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.48, residual support = 14.9:
          HN    ILE  119 - HA    GLN  116   3.35 +/- 0.25  98.012% * 97.1391% (0.57   2.48  14.95) =  99.982%  kept
          HN    CYS   21 - HA    GLN  116  20.41 +/- 3.92   0.850% *  1.3337% (0.97   0.02   0.02) =   0.012%
          HN    ILE   89 - HA    GLN  116  19.62 +/- 1.57   0.581% *  0.4714% (0.34   0.02   0.02) =   0.003%
          HN    LYS+  33 - HA    GLN  116  25.70 +/- 3.48   0.293% *  0.7824% (0.57   0.02   0.02) =   0.002%
          HN    SER   37 - HA    GLN  116  25.85 +/- 3.34   0.264% *  0.2735% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.974, support = 6.65, residual support = 106.4:
      O   HN    GLN  116 - HA    GLN  116   2.72 +/- 0.06  66.715% * 88.6579% (0.98  10.0   6.80 110.41) =  96.315%  kept
          HN    THR  118 - HA    GLN  116   4.01 +/- 0.36  22.560% *  9.7084% (0.80   1.0   2.68   0.14) =   3.567%  kept
          HN    GLU- 114 - HA    GLN  116   6.74 +/- 0.42   4.508% *  1.5420% (0.84   1.0   0.41   2.01) =   0.113%  kept
          HN    PHE   60 - HA    GLN  116   7.34 +/- 1.76   5.405% *  0.0512% (0.57   1.0   0.02   0.02) =   0.005%
          HN    LEU   71 - HA    GLN  116  16.17 +/- 4.45   0.812% *  0.0406% (0.45   1.0   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.513, support = 0.667, residual support = 1.62:
          HA    ASP- 113 - HB2   GLN  116   3.10 +/- 0.89  76.377% * 32.2403% (0.49  1.00   0.75   1.87) =  86.516%  kept
        T HA    PRO   58 - HB2   GLN  116  10.57 +/- 1.97   3.854% * 49.4042% (0.41 10.00   0.14   0.02) =   6.690%  kept
          HA    ILE   56 - HB2   GLN  116   8.06 +/- 2.35  17.034% * 11.1211% (0.97  1.00   0.13   0.02) =   6.656%  kept
          HA    LEU  123 - HB2   GLN  116  12.88 +/- 0.98   1.372% *  1.7624% (1.00  1.00   0.02   0.02) =   0.085%
          HA    LYS+  99 - HB2   GLN  116  21.19 +/- 1.52   0.361% *  1.4753% (0.84  1.00   0.02   0.02) =   0.019%
          HA    LEU   40 - HB2   GLN  116  20.81 +/- 2.27   0.410% *  1.0000% (0.57  1.00   0.02   0.02) =   0.014%
          HA    ASN   35 - HB2   GLN  116  27.52 +/- 2.66   0.181% *  1.6708% (0.95  1.00   0.02   0.02) =   0.011%
          HA    GLU-  15 - HB2   GLN  116  25.05 +/- 3.47   0.253% *  0.6629% (0.38  1.00   0.02   0.02) =   0.006%
          HA    SER   13 - HB2   GLN  116  29.72 +/- 3.57   0.158% *  0.6629% (0.38  1.00   0.02   0.02) =   0.004%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.456, support = 6.82, residual support = 96.9:
          QD2   LEU  115 - HB2   GLN  116   3.79 +/- 1.19  62.305% * 89.1128% (0.45   6.94  98.67) =  98.161%  kept
          QD2   LEU   63 - HB2   GLN  116  10.14 +/- 2.42   8.900% *  7.8176% (0.92   0.30   0.02) =   1.230%  kept
          QD1   LEU   63 - HB2   GLN  116   8.83 +/- 2.60  17.122% *  1.7782% (0.80   0.08   0.02) =   0.538%  kept
          QD1   LEU   73 - HB2   GLN  116  17.04 +/- 4.02   7.109% *  0.4585% (0.80   0.02   0.02) =   0.058%
          QG2   VAL   41 - HB2   GLN  116  17.88 +/- 1.90   0.906% *  0.2149% (0.38   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   GLN  116  15.92 +/- 1.75   1.436% *  0.1275% (0.22   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB2   GLN  116  19.59 +/- 1.82   0.668% *  0.2354% (0.41   0.02   0.02) =   0.003%
          QD2   LEU   98 - HB2   GLN  116  17.33 +/- 1.20   0.942% *  0.1275% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   80 - HB2   GLN  116  19.63 +/- 2.24   0.612% *  0.1275% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.31 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 6.46, residual support = 96.6:
          QD2   LEU  115 - HG2   GLN  116   4.03 +/- 1.19  63.004% * 93.1779% (1.00   6.59  98.67) =  97.917%  kept
          QD1   LEU   63 - HG2   GLN  116   8.11 +/- 2.55  20.933% *  5.8531% (0.84   0.50   0.02) =   2.044%  kept
          QD1   LEU   73 - HG2   GLN  116  16.37 +/- 3.67   4.722% *  0.2361% (0.84   0.02   0.02) =   0.019%
          QD2   LEU   63 - HG2   GLN  116   9.38 +/- 2.44   8.681% *  0.0705% (0.25   0.02   0.02) =   0.010%
          QD1   LEU  104 - HG2   GLN  116  15.69 +/- 2.19   1.409% *  0.2535% (0.90   0.02   0.02) =   0.006%
          QD2   LEU   80 - HG2   GLN  116  19.15 +/- 1.76   0.628% *  0.2821% (1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HG2   GLN  116  18.96 +/- 1.72   0.624% *  0.1268% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.49, residual support = 110.4:
      O   HE21  GLN  116 - HG2   GLN  116   2.71 +/- 0.48  75.690% * 99.6673% (0.65  10.0   4.49 110.41) =  99.971%  kept
          HN    ALA   57 - HG2   GLN  116   8.07 +/- 2.45  15.958% *  0.1119% (0.73   1.0   0.02   0.02) =   0.024%
          HN    ALA  120 - HG2   GLN  116   6.39 +/- 0.99   8.078% *  0.0428% (0.28   1.0   0.02   0.15) =   0.005%
          HE21  GLN   90 - HG2   GLN  116  22.74 +/- 3.46   0.198% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  29.05 +/- 3.06   0.076% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.807, support = 6.48, residual support = 104.7:
          HN    GLN  116 - HG2   GLN  116   3.61 +/- 0.58  58.381% * 84.1364% (0.80   6.79 110.41) =  94.788%  kept
          HN    THR  118 - HG2   GLN  116   5.88 +/- 0.78  18.590% * 13.2588% (0.98   0.87   0.14) =   4.757%  kept
          HN    GLU- 114 - HG2   GLN  116   7.06 +/- 0.87   8.860% *  2.1852% (0.34   0.41   2.01) =   0.374%  kept
          HN    PHE   60 - HG2   GLN  116   7.96 +/- 2.29  13.927% *  0.3034% (0.98   0.02   0.02) =   0.082%
          HN    GLU-  15 - HG2   GLN  116  24.94 +/- 3.09   0.241% *  0.1162% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.643, support = 1.1, residual support = 0.643:
          QE    PHE   95 - HB2   GLN  116   7.03 +/- 0.98  42.086% * 66.5957% (0.76   1.13   0.78) =  70.754%  kept
          QD    PHE   55 - HB2   GLN  116   7.91 +/- 3.06  41.511% * 27.4199% (0.34   1.04   0.32) =  28.734%  kept
          HN    LEU   67 - HB2   GLN  116  14.95 +/- 2.51   5.529% *  1.5428% (1.00   0.02   0.02) =   0.215%  kept
          HD1   TRP   49 - HB2   GLN  116  16.21 +/- 3.29   6.463% *  1.2886% (0.84   0.02   0.02) =   0.210%  kept
          HN    THR   23 - HB2   GLN  116  24.40 +/- 4.17   1.026% *  1.2354% (0.80   0.02   0.02) =   0.032%
          HD2   HIS   22 - HB2   GLN  116  25.38 +/- 5.68   1.119% *  1.0597% (0.69   0.02   0.02) =   0.030%
          HE3   TRP   27 - HB2   GLN  116  21.07 +/- 3.11   1.663% *  0.4289% (0.28   0.02   0.02) =   0.018%
          HD21  ASN   35 - HB2   GLN  116  29.72 +/- 3.08   0.603% *  0.4289% (0.28   0.02   0.02) =   0.007%
    Distance limit 3.83 A violated in 14 structures by 2.06 A, kept.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.32, residual support = 109.4:
      O   HN    GLN  116 - HB2   GLN  116   2.19 +/- 0.14  84.163% * 89.9086% (0.98  10.0   7.37 110.41) =  99.109%  kept
          HN    GLU- 114 - HB2   GLN  116   5.15 +/- 0.57   7.621% *  5.6513% (0.84   1.0   1.48   2.01) =   0.564%  kept
          HN    THR  118 - HB2   GLN  116   5.36 +/- 0.23   5.986% *  4.0457% (0.80   1.0   1.10   0.14) =   0.317%  kept
          HN    PHE   60 - HB2   GLN  116   8.89 +/- 2.21   1.964% *  0.3533% (0.57   1.0   0.14   0.02) =   0.009%
          HN    LEU   71 - HB2   GLN  116  18.38 +/- 4.25   0.266% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 28.0:
          HN    SER  117 - HB2   GLN  116   3.41 +/- 0.31  99.338% * 99.5605% (0.98   4.89  27.98) =  99.998%  kept
          HN    GLY   16 - HB2   GLN  116  23.80 +/- 3.25   0.405% *  0.3470% (0.84   0.02   0.02) =   0.001%
          HN    SER   82 - HB2   GLN  116  25.78 +/- 1.63   0.257% *  0.0925% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 28.0:
      O   HN    SER  117 - HA    GLN  116   3.56 +/- 0.05  99.155% * 99.8922% (0.98  10.0   4.89  27.98) =  99.999%  kept
          HN    GLY   16 - HA    GLN  116  21.81 +/- 3.19   0.531% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  24.74 +/- 1.80   0.315% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.92, support = 1.93, residual support = 5.06:
        T QB    ALA  120 - HA    SER  117   3.41 +/- 0.50  66.648% * 88.4240% (0.92 10.00   1.93   5.10) =  98.724%  kept
          HG    LEU  115 - HA    SER  117   8.08 +/- 0.83   6.213% *  6.9681% (0.92  1.00   1.52   2.31) =   0.725%  kept
          HB3   LEU  115 - HA    SER  117   7.80 +/- 0.33   6.464% *  3.2770% (0.38  1.00   1.76   2.31) =   0.355%  kept
          HD2   LYS+ 121 - HA    SER  117   7.40 +/- 1.98  14.171% *  0.7961% (0.18  1.00   0.92   0.02) =   0.189%  kept
          HG    LEU   67 - HA    SER  117  17.02 +/- 4.49   3.759% *  0.0483% (0.49  1.00   0.02   0.02) =   0.003%
        T QG2   THR   26 - HA    SER  117  23.55 +/- 3.34   0.308% *  0.2758% (0.28 10.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    SER  117  18.64 +/- 3.65   0.624% *  0.0992% (1.00  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HA    SER  117  17.27 +/- 3.35   0.778% *  0.0372% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.14 +/- 3.11   0.384% *  0.0522% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.73 +/- 2.05   0.651% *  0.0221% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.27 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.537, support = 1.77, residual support = 21.2:
          HE21  GLN  116 - HA    SER  117   5.84 +/- 1.79  31.559% * 81.2833% (0.65   2.10  27.98) =  70.257%  kept
          HN    ALA  120 - HA    SER  117   3.70 +/- 0.26  65.825% * 16.4636% (0.28   0.99   5.10) =  29.681%  kept
          HN    ALA   57 - HA    SER  117  12.10 +/- 1.25   2.098% *  0.8696% (0.73   0.02   0.02) =   0.050%
          HE21  GLN   90 - HA    SER  117  24.35 +/- 3.24   0.359% *  1.1738% (0.98   0.02   0.02) =   0.012%
          HD21  ASN   35 - HA    SER  117  29.43 +/- 3.84   0.158% *  0.2097% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.4:
      O   HN    SER  117 - HA    SER  117   2.76 +/- 0.05  99.612% * 99.9049% (0.57  10.0   3.64  15.36) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  24.35 +/- 3.77   0.177% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  24.24 +/- 4.17   0.211% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.296, support = 0.02, residual support = 0.02:
          QD    PHE   55 - QB    SER  117  10.46 +/- 2.01   8.951% * 14.4446% (0.49   0.02   0.02) =  24.022%  kept
          QD    PHE   60 - QB    SER  117  11.45 +/- 1.78   6.825% * 12.2000% (0.41   0.02   0.02) =  15.470%  kept
          QE    PHE   95 - QB    SER  117   7.77 +/- 0.76  17.492% *  4.5788% (0.15   0.02   0.02) =  14.882%  kept
          HN    LYS+  81 - QB    SER   85   7.22 +/- 0.24  20.861% *  3.4992% (0.12   0.02   0.02) =  13.563%  kept
          HN    LYS+  81 - QB    SER   48  12.87 +/- 3.99   8.604% *  5.8981% (0.20   0.02   0.02) =   9.429%  kept
          QD    PHE   60 - QB    SER   48  10.83 +/- 2.24   9.203% *  3.1728% (0.11   0.02   0.02) =   5.425%  kept
          HE3   TRP   27 - QB    SER  117  19.76 +/- 2.54   1.189% * 16.8009% (0.57   0.02   0.02) =   3.713%  kept
          QD    PHE   55 - QB    SER   48  12.65 +/- 1.88   4.236% *  3.7566% (0.13   0.02   0.02) =   2.956%  kept
          HE3   TRP   27 - QB    SER   48  15.60 +/- 3.44   3.357% *  4.3694% (0.15   0.02   0.02) =   2.725%  kept
          HN    LYS+  81 - QB    SER  117  23.47 +/- 1.48   0.629% * 22.6789% (0.76   0.02   0.02) =   2.650%  kept
          QE    PHE   95 - QB    SER   48  10.96 +/- 2.30  10.069% *  1.1908% (0.04   0.02   0.02) =   2.228%  kept
          HE3   TRP   27 - QB    SER   85  14.73 +/- 3.47   3.245% *  2.5923% (0.09   0.02   0.02) =   1.563%  kept
          QD    PHE   60 - QB    SER   85  17.27 +/- 2.08   1.757% *  1.8824% (0.06   0.02   0.02) =   0.614%  kept
          QD    PHE   55 - QB    SER   85  21.11 +/- 2.61   1.023% *  2.2287% (0.08   0.02   0.02) =   0.424%  kept
          QE    PHE   95 - QB    SER   85  14.94 +/- 1.10   2.560% *  0.7065% (0.02   0.02   0.02) =   0.336%  kept
    Distance limit 3.89 A violated in 18 structures by 2.13 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.14, residual support = 42.5:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   4.14  42.50) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.7, support = 2.89, residual support = 24.9:
          QG1   VAL  107 - HB    THR  118   4.60 +/- 3.26  54.800% * 51.3749% (0.98   1.37   2.74) =  62.941%  kept
          HG13  ILE  119 - HB    THR  118   5.04 +/- 0.59  35.183% * 46.9493% (0.22   5.49  62.66) =  36.929%  kept
          HD3   LYS+ 112 - HB    THR  118   9.29 +/- 1.48   7.739% *  0.6412% (0.84   0.02   0.02) =   0.111%  kept
          QG1   VAL   24 - HB    THR  118  19.62 +/- 3.35   0.955% *  0.7087% (0.92   0.02   0.02) =   0.015%
          HB3   LEU   31 - HB    THR  118  20.03 +/- 2.99   0.617% *  0.1914% (0.25   0.02   0.02) =   0.003%
          QG2   VAL   24 - HB    THR  118  18.91 +/- 2.45   0.706% *  0.1344% (0.18   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.558, support = 1.69, residual support = 11.3:
          QE    PHE   59 - HB    THR  118   3.33 +/- 0.84  71.974% * 33.0161% (0.45   1.90  12.62) =  75.115%  kept
          HN    HIS  122 - HB    THR  118   6.96 +/- 0.31  10.068% * 49.6521% (0.92   1.39   4.31) =  15.802%  kept
          HN    PHE   59 - HB    THR  118   8.31 +/- 1.61  17.220% * 16.6590% (0.84   0.51  12.62) =   9.068%  kept
          HH2   TRP   87 - HB    THR  118  17.49 +/- 2.59   0.738% *  0.6729% (0.87   0.02   0.02) =   0.016%
    Distance limit 4.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 3.77, residual support = 42.4:
      O   HN    THR  118 - HB    THR  118   2.08 +/- 0.11  89.638% * 93.7935% (0.98  10.0   3.78  42.50) =  99.717%  kept
          HN    GLN  116 - HB    THR  118   5.18 +/- 0.49   6.293% *  2.8169% (0.80   1.0   0.74   0.14) =   0.210%  kept
          HN    PHE   60 - HB    THR  118   8.76 +/- 1.36   1.823% *  3.3210% (0.98   1.0   0.71   0.02) =   0.072%
          HN    GLU- 114 - HB    THR  118   7.56 +/- 0.84   2.178% *  0.0326% (0.34   1.0   0.02   0.10) =   0.001%
          HN    GLU-  15 - HB    THR  118  24.00 +/- 3.01   0.067% *  0.0359% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 5.18, residual support = 42.5:
      O T QG2   THR  118 - HA    THR  118   2.72 +/- 0.16 100.000% *100.0000% (0.14  10.0 10.00   5.18  42.50) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.398, support = 4.79, residual support = 45.1:
        T HG13  ILE  119 - HA    THR  118   6.20 +/- 0.56  37.264% * 77.2968% (0.20 10.00   6.23  62.66) =  70.768%  kept
          QG1   VAL  107 - HA    THR  118   6.17 +/- 3.29  54.119% * 21.9454% (0.88  1.00   1.29   2.74) =  29.180%  kept
          HD3   LYS+ 112 - HA    THR  118  11.80 +/- 1.51   5.575% *  0.2900% (0.75  1.00   0.02   0.02) =   0.040%
          QG1   VAL   24 - HA    THR  118  21.41 +/- 3.44   1.096% *  0.3205% (0.83  1.00   0.02   0.02) =   0.009%
          HB3   LEU   31 - HA    THR  118  21.34 +/- 3.77   0.986% *  0.0866% (0.22  1.00   0.02   0.02) =   0.002%
          QG2   VAL   24 - HA    THR  118  20.64 +/- 2.60   0.960% *  0.0608% (0.16  1.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 5 structures by 1.06 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 2.61, residual support = 7.12:
        T HB3   LYS+ 121 - HA    THR  118   3.53 +/- 0.75  47.696% * 63.0559% (0.22 10.00   2.48   7.13) =  66.423%  kept
          HD2   LYS+ 121 - HA    THR  118   3.82 +/- 1.62  42.373% * 35.8430% (0.89  1.00   2.86   7.13) =  33.543%  kept
          QD    LYS+  66 - HA    THR  118  13.33 +/- 3.94   4.980% *  0.1836% (0.65  1.00   0.02   0.02) =   0.020%
          HG2   LYS+  65 - HA    THR  118  16.69 +/- 2.64   1.301% *  0.2529% (0.90  1.00   0.02   0.02) =   0.007%
          HB2   LYS+  74 - HA    THR  118  19.38 +/- 3.51   0.408% *  0.2112% (0.75  1.00   0.02   0.02) =   0.002%
          QG2   THR   26 - HA    THR  118  21.61 +/- 3.27   0.241% *  0.2506% (0.89  1.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    THR  118  14.23 +/- 5.25   0.909% *  0.0631% (0.22  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    THR  118  12.60 +/- 1.74   0.975% *  0.0443% (0.16  1.00   0.02   0.02) =   0.001%
          HB3   LEU   40 - HA    THR  118  15.45 +/- 4.28   0.673% *  0.0563% (0.20  1.00   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HA    THR  118  19.55 +/- 3.43   0.445% *  0.0390% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.686, support = 0.02, residual support = 59.0:
        T HB    ILE  119 - HA    THR  118   5.66 +/- 0.12  52.402% * 57.0728% (0.69 10.00   0.02  62.66) =  94.111%  kept
          HB    VAL  108 - HA    THR  118  12.60 +/- 4.02  13.445% *  7.0645% (0.85  1.00   0.02   0.02) =   2.989%  kept
          HB2   PRO   93 - HA    THR  118  14.06 +/- 1.50   3.663% *  7.0645% (0.85  1.00   0.02   0.02) =   0.814%  kept
          HG2   PRO   58 - HA    THR  118  10.99 +/- 2.81  17.252% *  1.3079% (0.16  1.00   0.02   0.02) =   0.710%  kept
          HB2   ARG+  54 - HA    THR  118  18.14 +/- 1.81   1.762% *  7.3202% (0.88  1.00   0.02   0.02) =   0.406%  kept
          HB2   GLN   30 - HA    THR  118  22.16 +/- 4.04   1.594% *  5.7073% (0.69  1.00   0.02   0.02) =   0.286%  kept
          HB3   GLU- 100 - HA    THR  118  21.02 +/- 4.40   1.458% *  5.1298% (0.62  1.00   0.02   0.02) =   0.235%  kept
          HG3   GLN   30 - HA    THR  118  23.39 +/- 4.43   1.675% *  3.3482% (0.40  1.00   0.02   0.02) =   0.176%  kept
          HB3   PRO   68 - HA    THR  118  16.44 +/- 3.99   3.978% *  1.1523% (0.14  1.00   0.02   0.02) =   0.144%  kept
          HG3   PRO   52 - HA    THR  118  19.05 +/- 3.24   1.795% *  1.3079% (0.16  1.00   0.02   0.02) =   0.074%
          HB2   GLU-  14 - HA    THR  118  26.99 +/- 3.99   0.617% *  1.6626% (0.20  1.00   0.02   0.02) =   0.032%
          HG2   MET   11 - HA    THR  118  32.27 +/- 4.30   0.359% *  1.8622% (0.22  1.00   0.02   0.02) =   0.021%
    Distance limit 3.88 A violated in 17 structures by 1.57 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 6.42, residual support = 62.6:
        T HG12  ILE  119 - HA    THR  118   5.41 +/- 0.17  75.291% * 98.7917% (0.40 10.00   6.42  62.66) =  99.937%  kept
          HB3   PHE   72 - HA    THR  118  15.27 +/- 3.99  12.288% *  0.1911% (0.78  1.00   0.02   0.02) =   0.032%
          HB2   ASP-  44 - HA    THR  118  13.72 +/- 2.62   6.405% *  0.2084% (0.85  1.00   0.02   0.02) =   0.018%
          QG    GLN   90 - HA    THR  118  19.52 +/- 2.63   2.061% *  0.1764% (0.72  1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - HA    THR  118  21.69 +/- 3.30   1.349% *  0.2184% (0.89  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - HA    THR  118  24.01 +/- 3.98   1.156% *  0.2034% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  28.67 +/- 4.06   0.631% *  0.1764% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  27.29 +/- 4.19   0.819% *  0.0340% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 10 structures by 1.51 A, kept.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.96, residual support = 42.5:
      O T HB    THR  118 - HA    THR  118   2.99 +/- 0.06  96.011% * 99.8099% (0.72  10.0 10.00   3.96  42.50) =  99.999%  kept
          HA    PHE   60 - HA    THR  118  11.13 +/- 1.77   2.585% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    THR  118  18.86 +/- 2.31   0.450% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  20.17 +/- 4.15   0.468% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  23.97 +/- 4.53   0.295% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.36 +/- 3.33   0.191% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 0.02, residual support = 10.3:
          QD    PHE   59 - HA    THR  118   6.60 +/- 0.63  81.516% * 25.6201% (0.85   0.02  12.62) =  81.920%  kept
          HE21  GLN   30 - HA    THR  118  21.99 +/- 4.61   9.785% * 26.1376% (0.87   0.02   0.02) =  10.032%  kept
          HH2   TRP   49 - HA    THR  118  18.44 +/- 4.05   5.905% * 22.6222% (0.75   0.02   0.02) =   5.240%  kept
          HD1   TRP   27 - HA    THR  118  22.95 +/- 3.21   2.793% * 25.6201% (0.85   0.02   0.02) =   2.807%  kept
    Distance limit 3.53 A violated in 20 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.465, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.87 +/- 0.33  88.359% * 43.4534% (0.47   0.02   0.02) =  90.711%  kept
          HZ2   TRP   49 - HA    THR  118  18.03 +/- 4.08   8.505% * 40.2018% (0.44   0.02   0.02) =   8.078%  kept
          HE21  GLN   17 - HA    THR  118  22.99 +/- 3.74   3.136% * 16.3448% (0.18   0.02   0.02) =   1.211%  kept
    Distance limit 3.93 A violated in 20 structures by 2.93 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 7.04, residual support = 62.7:
      O   HN    ILE  119 - HA    THR  118   3.53 +/- 0.05  97.618% * 99.6357% (0.51  10.0   7.04  62.66) =  99.998%  kept
          HN    CYS   21 - HA    THR  118  22.04 +/- 3.77   0.746% *  0.1698% (0.87   1.0   0.02   0.02) =   0.001%
          HN    LYS+  33 - HA    THR  118  24.86 +/- 4.28   0.535% *  0.0996% (0.51   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    THR  118  19.88 +/- 2.58   0.639% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  24.31 +/- 4.36   0.462% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.507, support = 4.66, residual support = 42.4:
      O   HN    THR  118 - HA    THR  118   2.83 +/- 0.04  91.775% * 97.0363% (0.51  10.0   4.66  42.50) =  99.839%  kept
          HN    GLN  116 - HA    THR  118   7.00 +/- 0.23   6.135% *  2.1127% (0.28   1.0   0.80   0.14) =   0.145%  kept
          HN    PHE   60 - HA    THR  118  10.98 +/- 1.21   1.933% *  0.7023% (0.72   1.0   0.10   0.02) =   0.015%
          HN    GLU-  15 - HA    THR  118  25.07 +/- 3.46   0.157% *  0.1487% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.388, support = 4.07, residual support = 44.1:
      O T HA    THR  118 - HB    THR  118   2.99 +/- 0.06  74.892% * 70.5851% (0.38  10.0 10.00   3.96  42.50) =  91.565%  kept
          HA    ILE  119 - HB    THR  118   4.85 +/- 0.24  18.172% * 26.3423% (0.53   1.0  1.00   5.32  62.66) =   8.291%  kept
          HD3   PRO   58 - HB    THR  118  10.38 +/- 1.82   2.936% *  2.7632% (0.49   1.0  1.00   0.60   0.02) =   0.141%  kept
          HA2   GLY  109 - HB    THR  118  11.50 +/- 3.05   2.812% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - HB    THR  118  16.69 +/- 2.35   0.528% *  0.1437% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB    THR  118  19.38 +/- 2.41   0.318% *  0.0843% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  18.89 +/- 2.55   0.342% *  0.0523% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 5.3, residual support = 43.3:
          HG13  ILE  119 - QG2   THR  118   4.28 +/- 1.04  42.765% * 70.3665% (0.62   6.34  62.66) =  67.690%  kept
          QG1   VAL  107 - QG2   THR  118   4.70 +/- 2.98  49.942% * 28.7247% (0.51   3.14   2.74) =  32.270%  kept
          HD3   LYS+ 112 - QG2   THR  118   8.99 +/- 1.45   3.719% *  0.3121% (0.87   0.02   0.02) =   0.026%
          QG1   VAL   24 - QG2   THR  118  15.91 +/- 2.95   1.067% *  0.2900% (0.80   0.02   0.02) =   0.007%
          HB3   LEU   31 - QG2   THR  118  15.66 +/- 3.11   0.954% *  0.2348% (0.65   0.02   0.02) =   0.005%
          QB    ALA   20 - QG2   THR  118  13.87 +/- 2.88   1.553% *  0.0720% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.281, support = 1.59, residual support = 3.99:
        T HB3   ASP- 105 - QG2   THR  118   6.57 +/- 4.31  31.775% * 78.6009% (0.25 10.00   1.65   4.21) =  89.178%  kept
          QB    LYS+ 106 - QG2   THR  118   7.86 +/- 3.44  15.002% * 13.8250% (0.51  1.00   1.42   3.13) =   7.406%  kept
          HB3   PRO   58 - QG2   THR  118   8.80 +/- 2.66  15.579% *  5.5846% (0.62  1.00   0.47   0.02) =   3.107%  kept
          HB    ILE   56 - QG2   THR  118   8.12 +/- 2.15  15.360% *  0.3247% (0.85  1.00   0.02   0.02) =   0.178%  kept
          HB3   GLN   30 - QG2   THR  118  16.22 +/- 3.06   3.539% *  0.3313% (0.87  1.00   0.02   0.02) =   0.042%
          HB2   MET   92 - QG2   THR  118  13.94 +/- 1.86   1.869% *  0.2978% (0.78  1.00   0.02   0.02) =   0.020%
          HB3   LYS+  38 - QG2   THR  118  17.04 +/- 3.31   1.376% *  0.3425% (0.89  1.00   0.02   0.02) =   0.017%
          QB    LYS+  33 - QG2   THR  118  17.42 +/- 3.17   3.156% *  0.1288% (0.34  1.00   0.02   0.02) =   0.015%
          HG3   PRO   68 - QG2   THR  118  11.34 +/- 3.01   5.833% *  0.0679% (0.18  1.00   0.02   0.02) =   0.014%
          HB    ILE  103 - QG2   THR  118  12.05 +/- 3.80   2.682% *  0.0764% (0.20  1.00   0.02   0.02) =   0.007%
          HG2   ARG+  54 - QG2   THR  118  13.97 +/- 2.18   1.973% *  0.0856% (0.22  1.00   0.02   0.02) =   0.006%
          HB3   GLN   90 - QG2   THR  118  16.84 +/- 2.27   1.012% *  0.1539% (0.40  1.00   0.02   0.02) =   0.006%
          QB    LYS+  81 - QG2   THR  118  17.72 +/- 1.88   0.844% *  0.1806% (0.47  1.00   0.02   0.02) =   0.005%
    Distance limit 3.51 A violated in 3 structures by 0.80 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.638, support = 3.78, residual support = 29.9:
        T HB2   ASP- 105 - QG2   THR  118   6.28 +/- 4.31  33.676% * 61.1417% (0.51 10.00   1.65   4.21) =  55.977%  kept
          HG12  ILE  119 - QG2   THR  118   3.82 +/- 0.57  42.295% * 38.2499% (0.80  1.00   6.51  62.66) =  43.982%  kept
          HB3   PHE   72 - QG2   THR  118  10.45 +/- 3.35  14.091% *  0.0638% (0.44  1.00   0.02   0.02) =   0.024%
          HB2   ASP-  44 - QG2   THR  118   9.26 +/- 2.24   4.449% *  0.0492% (0.34  1.00   0.02   0.02) =   0.006%
          HG3   MET   92 - QG2   THR  118  14.66 +/- 2.10   1.121% *  0.1210% (0.83  1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - QG2   THR  118  14.93 +/- 2.49   1.108% *  0.0742% (0.51  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QG2   THR  118  20.48 +/- 3.26   0.323% *  0.1285% (0.88  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QG2   THR  118  16.15 +/- 2.56   0.810% *  0.0447% (0.31  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QG2   THR  118  18.37 +/- 3.12   0.652% *  0.0539% (0.37  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QG2   THR  118  15.68 +/- 3.51   0.815% *  0.0365% (0.25  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   THR  118  16.52 +/- 2.53   0.659% *  0.0365% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.399, support = 5.3, residual support = 51.7:
      O T HA    THR  118 - QG2   THR  118   2.72 +/- 0.16  56.865% * 40.7146% (0.34  10.0 10.00   5.18  42.50) =  53.770%  kept
        T HA    ILE  119 - QG2   THR  118   3.30 +/- 0.30  34.674% * 57.0750% (0.47   1.0 10.00   5.46  62.66) =  45.961%  kept
          HD3   PRO   58 - QG2   THR  118   9.00 +/- 2.32   5.654% *  2.0319% (0.44   1.0  1.00   0.77   0.02) =   0.267%  kept
          HA    VAL   75 - QG2   THR  118  13.48 +/- 2.10   0.572% *  0.0829% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   THR  118  10.90 +/- 2.71   1.576% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - QG2   THR  118  16.85 +/- 2.35   0.310% *  0.0486% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  15.67 +/- 2.58   0.349% *  0.0302% (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 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 4.14, residual support = 42.5:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  94.371% * 99.8099% (0.72  10.0 10.00   4.14  42.50) =  99.998%  kept
          HA    PHE   60 - QG2   THR  118   7.26 +/- 1.67   4.273% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    ILE   89 - QG2   THR  118  14.13 +/- 2.42   0.444% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.89 +/- 3.28   0.498% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  18.18 +/- 3.44   0.254% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.56 +/- 2.68   0.161% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 1.29, residual support = 4.31:
          HD2   HIS  122 - QG2   THR  118   3.06 +/- 0.25  90.342% * 97.3177% (0.90   1.29   4.31) =  99.885%  kept
          HE22  GLN  116 - QG2   THR  118   8.80 +/- 1.03   4.952% *  1.5000% (0.89   0.02   0.14) =   0.084%
          QD    PHE   45 - QG2   THR  118   9.80 +/- 1.81   4.112% *  0.5642% (0.34   0.02   0.02) =   0.026%
          HE22  GLN   17 - QG2   THR  118  17.86 +/- 2.63   0.594% *  0.6181% (0.37   0.02   0.02) =   0.004%
    Distance limit 3.08 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 4.43, residual support = 12.6:
          QD    PHE   59 - QG2   THR  118   4.13 +/- 0.92  87.910% * 98.7073% (0.85   4.43  12.62) =  99.939%  kept
          HE21  GLN   30 - QG2   THR  118  16.10 +/- 3.56   6.188% *  0.4543% (0.87   0.02   0.02) =   0.032%
          HH2   TRP   49 - QG2   THR  118  14.49 +/- 3.26   3.502% *  0.3932% (0.75   0.02   0.02) =   0.016%
          HD1   TRP   27 - QG2   THR  118  16.78 +/- 2.79   2.400% *  0.4453% (0.85   0.02   0.02) =   0.012%
    Distance limit 3.50 A violated in 2 structures by 0.83 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.46, residual support = 62.7:
        T QG2   THR  118 - HA    ILE  119   3.30 +/- 0.30 100.000% *100.0000% (0.57 10.00   5.46  62.66) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.511, support = 4.46, residual support = 34.1:
          QB    ALA  120 - HA    ILE  119   4.98 +/- 0.03  39.725% * 52.3692% (0.45   5.21  52.73) =  59.417%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.55 +/- 0.75  30.800% * 45.9281% (0.61   3.38   6.98) =  40.402%  kept
          HG    LEU  115 - HA    ILE  119   8.29 +/- 1.32  11.277% *  0.2008% (0.45   0.02   6.90) =   0.065%
          HB3   LEU   40 - HA    ILE  119  14.28 +/- 4.46   3.795% *  0.3077% (0.69   0.02   0.02) =   0.033%
          QD    LYS+  66 - HA    ILE  119  10.67 +/- 3.48   8.973% *  0.1117% (0.25   0.02   0.02) =   0.029%
          HG2   LYS+  65 - HA    ILE  119  13.59 +/- 2.01   2.556% *  0.3077% (0.69   0.02   0.02) =   0.022%
          HB2   LYS+  74 - HA    ILE  119  17.00 +/- 3.19   1.446% *  0.4323% (0.97   0.02   0.02) =   0.018%
          QG2   THR   26 - HA    ILE  119  19.72 +/- 3.53   1.428% *  0.3424% (0.76   0.02   0.02) =   0.014%
    Distance limit 3.91 A violated in 0 structures by 0.68 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 2.35, residual support = 24.6:
          QD    PHE   59 - HA    ILE  119   4.07 +/- 0.37  82.117% * 97.5911% (0.95   2.35  24.64) =  99.820%  kept
          HE21  GLN   30 - HA    ILE  119  19.79 +/- 4.81  11.295% *  0.8465% (0.97   0.02   0.02) =   0.119%  kept
          HH2   TRP   49 - HA    ILE  119  16.99 +/- 5.06   5.559% *  0.7326% (0.84   0.02   0.02) =   0.051%
          HD1   TRP   27 - HA    ILE  119  21.64 +/- 3.86   1.028% *  0.8297% (0.95   0.02   0.02) =   0.011%
    Distance limit 3.32 A violated in 1 structures by 0.74 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.59, residual support = 270.4:
      O   HN    ILE  119 - HA    ILE  119   2.76 +/- 0.06  97.833% * 99.7485% (0.98  10.0   8.59 270.40) =  99.998%  kept
          HN    CYS   21 - HA    ILE  119  19.53 +/- 4.06   1.278% *  0.0850% (0.84   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HA    ILE  119  20.73 +/- 2.59   0.273% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  22.93 +/- 4.61   0.259% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  23.40 +/- 4.64   0.356% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.305, support = 5.54, residual support = 42.0:
      O   HN    ALA  120 - HA    ILE  119   3.60 +/- 0.02  68.640% * 58.4464% (0.18  10.0   6.22  52.73) =  79.345%  kept
          HN    LEU  123 - HA    ILE  119   5.00 +/- 0.27  26.234% * 39.5200% (0.80   1.0   2.96   1.00) =  20.505%  kept
          HN    ALA  124 - HA    ILE  119   9.10 +/- 0.32   4.299% *  1.6998% (0.98   1.0   0.10   0.02) =   0.145%  kept
          HE21  GLN   17 - HA    ILE  119  19.61 +/- 4.04   0.828% *  0.3337% (1.00   1.0   0.02   0.02) =   0.005%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.47, residual support = 14.9:
          HA    GLN  116 - HB    ILE  119   3.53 +/- 0.72  91.894% * 96.4894% (0.84   2.47  14.95) =  99.951%  kept
          HA    VAL   70 - HB    ILE  119  14.95 +/- 4.31   3.213% *  0.7803% (0.84   0.02   0.02) =   0.028%
          HA    VAL   18 - HB    ILE  119  17.43 +/- 2.98   1.287% *  0.4254% (0.46   0.02   0.02) =   0.006%
          HB2   SER   37 - HB    ILE  119  23.53 +/- 4.04   0.598% *  0.5231% (0.56   0.02   0.02) =   0.004%
          HA    LYS+  33 - HB    ILE  119  26.94 +/- 4.31   0.496% *  0.5871% (0.63   0.02   0.02) =   0.003%
          HA1   GLY   16 - HB    ILE  119  19.94 +/- 3.88   0.944% *  0.2496% (0.27   0.02   0.02) =   0.003%
          HA    GLU-  29 - HB    ILE  119  27.19 +/- 3.95   0.461% *  0.4578% (0.49   0.02   0.02) =   0.002%
          HA    SER   48 - HB    ILE  119  19.15 +/- 2.67   0.839% *  0.1248% (0.13   0.02   0.02) =   0.001%
          HB2   SER   82 - HB    ILE  119  27.23 +/- 2.45   0.267% *  0.3625% (0.39   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.517, support = 5.0, residual support = 51.3:
          HN    ALA  120 - HB    ILE  119   2.73 +/- 0.14  64.796% * 83.8288% (0.53   5.14  52.73) =  96.845%  kept
          HE21  GLN  116 - HB    ILE  119   5.31 +/- 1.82  24.432% *  4.0555% (0.22   0.60  14.95) =   1.767%  kept
          HN    LEU  123 - HB    ILE  119   5.93 +/- 0.40   6.858% * 11.2088% (0.27   1.35   1.00) =   1.371%  kept
          HN    ALA  124 - HB    ILE  119   9.53 +/- 0.49   1.619% *  0.4308% (0.69   0.02   0.02) =   0.012%
          HN    ALA   57 - HB    ILE  119   9.68 +/- 1.46   2.034% *  0.1065% (0.17   0.02   0.02) =   0.004%
          HE21  GLN   17 - HB    ILE  119  20.70 +/- 4.23   0.261% *  0.3696% (0.60   0.02   0.02) =   0.002%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.58, residual support = 270.4:
      O   HN    ILE  119 - HB    ILE  119   2.46 +/- 0.21  98.757% * 99.7485% (0.85  10.0   7.58 270.40) =  99.999%  kept
          HN    CYS   21 - HB    ILE  119  20.86 +/- 4.14   0.808% *  0.0850% (0.72   1.0   0.02   0.02) =   0.001%
          HN    ILE   89 - HB    ILE  119  21.54 +/- 2.38   0.160% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.18 +/- 4.14   0.119% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.49 +/- 4.26   0.157% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.558, support = 3.79, residual support = 51.7:
          HA    ALA  120 - QG2   ILE  119   3.62 +/- 0.32  69.561% * 85.3509% (0.57   3.84  52.73) =  97.822%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.61 +/- 0.19  12.108% * 10.2166% (0.20   1.32   6.98) =   2.038%  kept
          HD2   PRO   52 - QG2   ILE  119  13.80 +/- 3.36   5.288% *  0.5996% (0.76   0.02   0.02) =   0.052%
          HA    LYS+  65 - QG2   ILE  119  11.08 +/- 2.29   3.185% *  0.7422% (0.95   0.02   0.02) =   0.039%
          HA2   GLY   16 - QG2   ILE  119  15.95 +/- 3.60   1.174% *  0.7036% (0.90   0.02   0.02) =   0.014%
          QB    SER   48 - QG2   ILE  119  15.26 +/- 2.68   1.785% *  0.2676% (0.34   0.02   0.02) =   0.008%
          HA    SER   48 - QG2   ILE  119  15.88 +/- 2.70   1.522% *  0.2422% (0.31   0.02   0.02) =   0.006%
          HB    THR   94 - QG2   ILE  119  13.91 +/- 1.77   1.645% *  0.1956% (0.25   0.02   0.02) =   0.005%
          QB    SER   85 - QG2   ILE  119  20.59 +/- 1.78   0.427% *  0.7036% (0.90   0.02   0.02) =   0.005%
          HA2   GLY   51 - QG2   ILE  119  14.88 +/- 3.04   2.393% *  0.1211% (0.15   0.02   0.02) =   0.005%
          HA    GLN   32 - QG2   ILE  119  21.28 +/- 3.64   0.489% *  0.4442% (0.57   0.02   0.02) =   0.004%
          HA    ALA   88 - QG2   ILE  119  20.90 +/- 2.34   0.423% *  0.4128% (0.53   0.02   0.02) =   0.003%
    Distance limit 3.61 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.562, support = 5.37, residual support = 44.9:
          HN    ALA  120 - QG2   ILE  119   3.48 +/- 0.31  42.535% * 75.1224% (0.61   5.74  52.73) =  84.842%  kept
          HN    LEU  123 - QG2   ILE  119   4.31 +/- 0.35  24.522% * 22.4877% (0.31   3.38   1.00) =  14.642%  kept
          HE21  GLN  116 - QG2   ILE  119   5.43 +/- 1.42  18.602% *  0.5431% (0.25   0.10  14.95) =   0.268%  kept
          HN    ALA  124 - QG2   ILE  119   6.91 +/- 0.42   5.695% *  1.4652% (0.80   0.08   0.02) =   0.222%  kept
          HN    ALA   57 - QG2   ILE  119   7.83 +/- 1.73   7.377% *  0.0854% (0.20   0.02   0.02) =   0.017%
          HE21  GLN   17 - QG2   ILE  119  15.88 +/- 3.96   1.270% *  0.2963% (0.69   0.02   0.02) =   0.010%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.85, residual support = 270.3:
          HN    ILE  119 - QG2   ILE  119   3.68 +/- 0.05  86.981% * 99.2723% (0.80   7.85 270.40) =  99.980%  kept
          HN    CYS   21 - QG2   ILE  119  16.54 +/- 3.77  11.514% *  0.1077% (0.34   0.02   0.02) =   0.014%
          HN    ILE   89 - QG2   ILE  119  18.61 +/- 2.16   0.782% *  0.3048% (0.97   0.02   0.02) =   0.003%
          HN    SER   37 - QG2   ILE  119  20.13 +/- 3.76   0.722% *  0.3152% (1.00   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.829, support = 1.37, residual support = 5.58:
          QD2   LEU  115 - HG12  ILE  119   4.16 +/- 1.32  49.415% * 71.0053% (0.90   1.50   6.90) =  79.562%  kept
          QD1   LEU   63 - HG12  ILE  119   5.91 +/- 2.58  35.038% * 25.4375% (0.57   0.85   0.45) =  20.210%  kept
          QD1   LEU   73 - HG12  ILE  119  14.60 +/- 3.36  10.540% *  0.5977% (0.57   0.02   0.02) =   0.143%  kept
          QD1   LEU  104 - HG12  ILE  119  13.11 +/- 3.33   2.090% *  1.0556% (1.00   0.02   0.02) =   0.050%
          QD2   LEU   80 - HG12  ILE  119  17.70 +/- 2.01   0.726% *  0.9745% (0.92   0.02   0.02) =   0.016%
          QG1   VAL   83 - HG12  ILE  119  17.42 +/- 2.15   0.756% *  0.7666% (0.73   0.02   0.02) =   0.013%
          QG2   ILE   89 - HG12  ILE  119  14.28 +/- 1.77   1.435% *  0.1629% (0.15   0.02   0.02) =   0.005%
    Distance limit 3.76 A violated in 2 structures by 0.30 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.832, support = 2.08, residual support = 5.66:
          QD2   LEU  115 - HG13  ILE  119   4.35 +/- 1.52  49.810% * 73.2886% (0.90   2.29   6.90) =  80.766%  kept
          QD1   LEU   63 - HG13  ILE  119   5.66 +/- 2.54  35.493% * 24.3052% (0.57   1.20   0.45) =  19.086%  kept
          QD1   LEU   73 - HG13  ILE  119  14.47 +/- 3.24   8.711% *  0.4043% (0.57   0.02   0.02) =   0.078%
          QD1   LEU  104 - HG13  ILE  119  13.41 +/- 3.36   2.892% *  0.7141% (1.00   0.02   0.02) =   0.046%
          QD2   LEU   80 - HG13  ILE  119  17.74 +/- 1.94   0.796% *  0.6592% (0.92   0.02   0.02) =   0.012%
          QG1   VAL   83 - HG13  ILE  119  17.63 +/- 1.98   0.891% *  0.5185% (0.73   0.02   0.02) =   0.010%
          QG2   ILE   89 - HG13  ILE  119  14.69 +/- 1.64   1.407% *  0.1102% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.97 A violated in 1 structures by 0.28 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   9.72 +/- 3.10 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.67 A violated in 19 structures by 6.05 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.83, residual support = 24.6:
          QD    PHE   59 - HG13  ILE  119   2.41 +/- 0.61  97.476% * 98.5064% (0.95   3.83  24.64) =  99.987%  kept
          HH2   TRP   49 - HG13  ILE  119  15.10 +/- 4.64   1.499% *  0.4543% (0.84   0.02   0.02) =   0.007%
          HE21  GLN   30 - HG13  ILE  119  19.66 +/- 4.37   0.791% *  0.5248% (0.97   0.02   0.02) =   0.004%
          HD1   TRP   27 - HG13  ILE  119  21.14 +/- 3.53   0.234% *  0.5145% (0.95   0.02   0.02) =   0.001%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.2, residual support = 270.4:
          HN    ILE  119 - HG13  ILE  119   2.97 +/- 0.57  97.011% * 99.3034% (0.80   8.20 270.40) =  99.995%  kept
          HN    CYS   21 - HG13  ILE  119  18.72 +/- 3.89   2.137% *  0.1031% (0.34   0.02   0.02) =   0.002%
          HN    ILE   89 - HG13  ILE  119  20.05 +/- 2.27   0.510% *  0.2918% (0.97   0.02   0.02) =   0.002%
          HN    SER   37 - HG13  ILE  119  23.66 +/- 3.74   0.343% *  0.3017% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.18, residual support = 24.6:
          QD    PHE   59 - HG12  ILE  119   2.70 +/- 0.69  96.043% * 99.0735% (0.84   4.18  24.64) =  99.990%  kept
          HH2   TRP   49 - HG12  ILE  119  15.08 +/- 4.23   2.445% *  0.1754% (0.31   0.02   0.02) =   0.005%
          HE21  GLN   30 - HG12  ILE  119  19.98 +/- 4.18   1.185% *  0.2765% (0.49   0.02   0.02) =   0.003%
          HD1   TRP   27 - HG12  ILE  119  21.22 +/- 3.38   0.326% *  0.4746% (0.84   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 8.65, residual support = 270.4:
          HN    ILE  119 - HG12  ILE  119   2.23 +/- 0.36  99.210% * 99.3388% (0.80   8.65 270.40) =  99.999%  kept
          HN    ILE   89 - HG12  ILE  119  19.48 +/- 2.51   0.239% *  0.2770% (0.97   0.02   0.02) =   0.001%
          HN    CYS   21 - HG12  ILE  119  19.14 +/- 3.65   0.417% *  0.0979% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  23.84 +/- 3.71   0.133% *  0.2864% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.20 +/- 2.84 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.13 A violated in 16 structures by 5.07 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.285, support = 2.61, residual support = 3.98:
          QD2   LEU  115 - QD1   ILE  119   3.81 +/- 1.12  46.962% * 48.0367% (0.40  1.00   3.94   6.90) =  54.714%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.69 +/- 2.09  40.462% * 45.7804% (0.15 10.00   1.00   0.45) =  44.927%  kept
        T QD1   LEU   73 - QD1   ILE  119  11.97 +/- 2.76   7.884% *  0.9152% (0.15 10.00   0.02   0.02) =   0.175%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.60 +/- 2.82   1.578% *  4.0742% (0.66 10.00   0.02   0.02) =   0.156%  kept
          QG2   ILE   89 - QD1   ILE  119  12.20 +/- 1.88   1.582% *  0.3358% (0.55  1.00   0.02   0.02) =   0.013%
          QG1   VAL   83 - QD1   ILE  119  14.76 +/- 2.00   0.762% *  0.5918% (0.96  1.00   0.02   0.02) =   0.011%
          QD2   LEU   80 - QD1   ILE  119  14.70 +/- 2.06   0.770% *  0.2659% (0.43  1.00   0.02   0.02) =   0.005%
    Distance limit 2.61 A violated in 2 structures by 0.56 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.89, residual support = 14.9:
        T HA    GLN  116 - QD1   ILE  119   3.02 +/- 0.90  81.947% * 99.4587% (0.51 10.00   3.89  14.95) =  99.980%  kept
          HA    VAL   70 - QD1   ILE  119  11.33 +/- 3.46  10.095% *  0.0995% (0.51  1.00   0.02   0.02) =   0.012%
          HA1   GLY   16 - QD1   ILE  119  15.20 +/- 3.25   2.169% *  0.1514% (0.77  1.00   0.02   0.02) =   0.004%
          HB2   SER   37 - QD1   ILE  119  18.52 +/- 3.36   1.011% *  0.1886% (0.96  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QD1   ILE  119  12.66 +/- 2.65   3.576% *  0.0256% (0.13  1.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QD1   ILE  119  21.13 +/- 3.44   0.604% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  21.05 +/- 3.34   0.598% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.822, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   9.44 +/- 3.22  50.391% * 81.6578% (0.96 10.00   0.02   0.02) =  81.891%  kept
        T QD    PHE   72 - QD1   ILE  119   9.10 +/- 2.50  49.609% * 18.3422% (0.21 10.00   0.02   0.02) =  18.109%  kept
    Distance limit 3.36 A violated in 17 structures by 4.56 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.646, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.66 +/- 1.50  48.939% * 23.3518% (0.47   0.02   0.02) =  38.671%  kept
          QE    PHE   72 - QD1   ILE  119   8.52 +/- 2.68  33.358% * 29.0981% (0.59   0.02   0.02) =  32.845%  kept
          HN    ALA   47 - QD1   ILE  119  11.57 +/- 2.61  17.703% * 47.5501% (0.96   0.02   0.02) =  28.484%  kept
    Distance limit 3.41 A violated in 15 structures by 2.47 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.841, support = 1.52, residual support = 17.8:
          HN    HIS  122 - QD1   ILE  119   5.99 +/- 0.56  32.207% * 96.5600% (0.87   1.59  17.49) =  95.549%  kept
          HN    PHE   59 - QD1   ILE  119   4.35 +/- 0.91  66.079% *  2.1590% (0.33   0.09  24.64) =   4.383%  kept
          HH2   TRP   87 - QD1   ILE  119  16.61 +/- 2.21   1.714% *  1.2809% (0.91   0.02   0.02) =   0.067%
    Distance limit 3.56 A violated in 2 structures by 0.64 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 7.0, residual support = 270.3:
          HN    ILE  119 - QD1   ILE  119   3.59 +/- 0.21  90.789% * 99.2844% (0.95   7.00 270.40) =  99.978%  kept
          HN    CYS   21 - QD1   ILE  119  15.32 +/- 3.46   6.355% *  0.2418% (0.81   0.02   0.02) =   0.017%
          HN    ILE   89 - QD1   ILE  119  16.79 +/- 2.42   1.180% *  0.2418% (0.81   0.02   0.02) =   0.003%
          HN    SER   37 - QD1   ILE  119  19.89 +/- 3.36   0.787% *  0.1873% (0.62   0.02   0.02) =   0.002%
          HN    LYS+  33 - QD1   ILE  119  19.81 +/- 3.46   0.890% *  0.0447% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.15, residual support = 29.3:
        T QD1   LEU  123 - HA    ALA  120   2.55 +/- 0.77  84.227% * 99.1996% (0.45 10.00   5.15  29.28) =  99.975%  kept
          QG1   VAL   70 - HA    ALA  120  11.69 +/- 4.40   5.990% *  0.1520% (0.69  1.00   0.02   0.02) =   0.011%
          QD1   LEU   71 - HA    ALA  120  16.09 +/- 6.00   5.223% *  0.0992% (0.45  1.00   0.02   0.02) =   0.006%
          HB3   LEU   63 - HA    ALA  120  12.41 +/- 3.16   1.559% *  0.2169% (0.98  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - HA    ALA  120  15.79 +/- 3.18   1.224% *  0.1772% (0.80  1.00   0.02   0.02) =   0.003%
          QG1   VAL  108 - HA    ALA  120  15.90 +/- 2.72   0.661% *  0.1164% (0.53  1.00   0.02   0.02) =   0.001%
          HB3   LEU  104 - HA    ALA  120  16.25 +/- 5.33   1.115% *  0.0388% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 5.02, residual support = 22.6:
          HN    LEU  123 - HA    ALA  120   2.66 +/- 0.12  50.505% * 47.4035% (0.80   1.0   6.05  29.28) =  59.698%  kept
      O   HN    ALA  120 - HA    ALA  120   2.77 +/- 0.06  44.702% * 34.2710% (0.18  10.0   3.58  13.37) =  38.200%  kept
          HN    ALA  124 - HA    ALA  120   5.91 +/- 0.27   4.648% * 18.1299% (0.98   1.0   1.89   0.02) =   2.101%  kept
          HE21  GLN   17 - HA    ALA  120  22.23 +/- 4.92   0.144% *  0.1957% (1.00   1.0   0.02   0.02) =   0.001%
    Distance limit 3.25 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 = 6.44, residual support = 313.7:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.02  90.004% * 99.7700% (0.45  10.0   6.44 313.68) =  99.998%  kept
          HZ2   TRP   49 - HA    LYS+  65  18.03 +/- 6.55   9.049% *  0.0132% (0.06   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   49 - HA    LYS+ 121  21.54 +/- 4.91   0.426% *  0.2105% (0.95   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 121 - HA    LYS+  65  16.59 +/- 2.32   0.520% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.91, support = 3.61, residual support = 7.06:
          HA    THR  118 - HB2   LYS+ 121   3.05 +/- 0.79  68.769% * 34.9388% (0.87   2.81   7.13) =  56.335%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.64 +/- 0.36  28.941% * 64.3342% (0.97   4.64   6.98) =  43.656%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.51 +/- 3.37   1.277% *  0.1626% (0.57   0.02   0.02) =   0.005%
          HB2   TRP   49 - HB2   LYS+ 121  23.10 +/- 3.52   0.355% *  0.2651% (0.92   0.02   0.02) =   0.002%
          HA    ALA   84 - HB2   LYS+ 121  22.25 +/- 3.31   0.257% *  0.2195% (0.76   0.02   0.02) =   0.001%
          HA    VAL   75 - HB2   LYS+ 121  19.54 +/- 2.65   0.400% *  0.0798% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.73, support = 2.61, residual support = 7.12:
        T HA    THR  118 - HB3   LYS+ 121   3.53 +/- 0.75  75.656% * 79.8789% (0.72 10.00   2.48   7.13) =  93.373%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.68 +/- 0.43  21.559% * 19.8880% (0.81  1.00   4.48   6.98) =   6.625%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.88 +/- 3.55   1.419% *  0.0521% (0.47  1.00   0.02   0.02) =   0.001%
          HB2   TRP   49 - HB3   LYS+ 121  23.92 +/- 3.25   0.438% *  0.0850% (0.77  1.00   0.02   0.02) =   0.001%
          HA    ALA   84 - HB3   LYS+ 121  22.76 +/- 3.39   0.379% *  0.0704% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  20.29 +/- 3.00   0.549% *  0.0256% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.4, residual support = 313.7:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.80 +/- 0.45  99.561% * 99.9582% (0.75  10.0   6.40 313.68) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  20.38 +/- 4.34   0.439% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.38, residual support = 54.3:
          HN    HIS  122 - HB3   LYS+ 121   4.00 +/- 0.35  93.903% * 99.5523% (0.75   6.38  54.35) =  99.990%  kept
          HN    PHE   59 - HB3   LYS+ 121  12.08 +/- 1.68   5.013% *  0.1186% (0.28   0.02   0.02) =   0.006%
          HH2   TRP   87 - HB3   LYS+ 121  19.56 +/- 4.48   1.083% *  0.3290% (0.79   0.02   0.02) =   0.004%
    Distance limit 3.86 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.75, residual support = 54.3:
          HN    HIS  122 - HB2   LYS+ 121   3.34 +/- 0.17  90.626% * 99.2716% (0.41   7.75  54.35) =  99.977%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.54 +/- 0.56   8.279% *  0.2126% (0.34   0.02   0.02) =   0.020%
          HH2   TRP   87 - HB2   LYS+ 121  19.35 +/- 4.12   0.659% *  0.3033% (0.49   0.02   0.02) =   0.002%
          HD1   TRP   27 - HB2   LYS+ 121  23.23 +/- 3.78   0.436% *  0.2126% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.94, residual support = 313.7:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.33 +/- 0.34  99.676% * 99.9061% (0.92  10.0   6.94 313.68) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  19.62 +/- 4.47   0.324% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.483, support = 1.46, residual support = 15.2:
          QG2   ILE  119 - HB2   HIS  122   4.85 +/- 0.98  37.466% * 79.6131% (0.53   1.58  17.49) =  86.452%  kept
          QD1   LEU   40 - HB2   HIS  122   9.18 +/- 6.04  30.191% * 14.1715% (0.20   0.75   0.37) =  12.401%  kept
          QD1   ILE  103 - HB2   HIS  122  14.97 +/- 5.04   3.807% *  4.9542% (0.34   0.15   0.02) =   0.547%  kept
          QD2   LEU   67 - HB2   HIS  122  10.67 +/- 5.42  23.086% *  0.7851% (0.41   0.02   0.02) =   0.525%  kept
          QD2   LEU   71 - HB2   HIS  122  12.78 +/- 5.52   5.450% *  0.4762% (0.25   0.02   0.02) =   0.075%
    Distance limit 3.58 A violated in 0 structures by 0.33 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.538, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - HB2   HIS  122  11.78 +/- 6.45  23.605% * 20.0916% (0.69   0.02   0.02) =  41.135%  kept
          QD2   LEU  115 - HB2   HIS  122  10.00 +/- 1.42  24.415% * 12.0248% (0.41   0.02   0.02) =  25.464%  kept
          QD1   LEU   63 - HB2   HIS  122   8.28 +/- 2.87  36.644% *  4.5130% (0.15   0.02   0.02) =  14.344%  kept
          QG1   VAL   83 - HB2   HIS  122  18.97 +/- 3.22   2.986% * 29.1845% (1.00   0.02   0.02) =   7.559%  kept
          QG2   ILE   89 - HB2   HIS  122  17.69 +/- 2.17   4.206% * 16.5597% (0.57   0.02   0.02) =   6.041%  kept
          QD2   LEU   80 - HB2   HIS  122  19.16 +/- 3.04   3.041% * 13.1134% (0.45   0.02   0.02) =   3.459%  kept
          QD1   LEU   73 - HB2   HIS  122  15.63 +/- 3.45   5.102% *  4.5130% (0.15   0.02   0.02) =   1.997%  kept
    Distance limit 4.14 A violated in 12 structures by 2.51 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 71.3:
      O   HD2   HIS  122 - HB2   HIS  122   3.83 +/- 0.32  93.626% * 99.8219% (1.00  10.0   3.58  71.33) =  99.995%  kept
          HE22  GLN  116 - HB2   HIS  122  12.41 +/- 2.15   3.533% *  0.0996% (1.00   1.0   0.02   0.02) =   0.004%
          QD    PHE   45 - HB2   HIS  122  16.05 +/- 2.47   1.708% *  0.0375% (0.38   1.0   0.02   0.02) =   0.001%
          HE22  GLN   17 - HB2   HIS  122  19.67 +/- 3.98   1.132% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.37, residual support = 71.3:
      O   HN    HIS  122 - HB2   HIS  122   3.53 +/- 0.35  88.593% * 99.7165% (0.41  10.0   5.38  71.33) =  99.989%  kept
          QD    PHE   59 - HB2   HIS  122   7.98 +/- 1.04   8.954% *  0.0827% (0.34   1.0   0.02   0.02) =   0.008%
          HD1   TRP   27 - HB2   HIS  122  22.22 +/- 5.14   1.676% *  0.0827% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   HIS  122  20.34 +/- 4.59   0.777% *  0.1181% (0.49   1.0   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 71.3:
      O   HD2   HIS  122 - HB3   HIS  122   2.99 +/- 0.33  96.090% * 99.8219% (1.00  10.0   4.27  71.33) =  99.997%  kept
          HE22  GLN  116 - HB3   HIS  122  11.28 +/- 1.71   2.612% *  0.0996% (1.00   1.0   0.02   0.02) =   0.003%
          QD    PHE   45 - HB3   HIS  122  15.67 +/- 2.37   0.809% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.86 +/- 4.09   0.489% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.57, residual support = 71.3:
      O   HN    HIS  122 - HB3   HIS  122   2.74 +/- 0.37  94.110% * 99.8567% (0.90  10.0   6.57  71.33) =  99.997%  kept
          HN    PHE   59 - HB3   HIS  122  10.21 +/- 2.38   5.335% *  0.0380% (0.34   1.0   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB3   HIS  122  20.27 +/- 4.28   0.555% *  0.1053% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.429, support = 1.31, residual support = 11.9:
          QG2   ILE  119 - HB3   HIS  122   3.88 +/- 0.97  47.283% * 50.2442% (0.53  1.00   1.76  17.49) =  67.424%  kept
        T QD1   LEU   40 - HB3   HIS  122   9.61 +/- 5.55  24.095% * 40.6522% (0.20 10.00   0.38   0.37) =  27.800%  kept
          QD2   LEU   67 - HB3   HIS  122  10.81 +/- 5.15  19.563% *  8.4629% (0.41  1.00   0.38   0.02) =   4.699%  kept
          QD2   LEU   71 - HB3   HIS  122  13.02 +/- 5.35   6.322% *  0.2705% (0.25  1.00   0.02   0.02) =   0.049%
          QD1   ILE  103 - HB3   HIS  122  15.03 +/- 4.65   2.736% *  0.3701% (0.34  1.00   0.02   0.02) =   0.029%
    Distance limit 3.65 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.673, support = 3.07, residual support = 28.4:
          HA    ALA  120 - HG    LEU  123   3.16 +/- 0.84  80.557% * 76.2195% (0.68  1.00   3.14  29.28) =  96.589%  kept
          HA    LYS+ 121 - HG    LEU  123   7.09 +/- 0.54  10.655% * 20.0032% (0.47  1.00   1.19   2.24) =   3.353%  kept
        T HD2   PRO   52 - HG    LEU  123  20.33 +/- 5.25   1.277% *  1.2229% (0.17 10.00   0.02   0.02) =   0.025%
          QB    SER  117 - HG    LEU  123   9.37 +/- 1.03   3.621% *  0.1673% (0.23  1.00   0.02   0.02) =   0.010%
          HA    LYS+  65 - HG    LEU  123  16.19 +/- 3.21   1.206% *  0.4097% (0.57  1.00   0.02   0.02) =   0.008%
          HA2   GLY   16 - HG    LEU  123  20.77 +/- 5.32   0.848% *  0.4398% (0.62  1.00   0.02   0.02) =   0.006%
          QB    SER   48 - HG    LEU  123  21.76 +/- 4.00   0.592% *  0.4254% (0.60  1.00   0.02   0.02) =   0.004%
          HB    THR   94 - HG    LEU  123  20.33 +/- 2.19   0.491% *  0.3748% (0.52  1.00   0.02   0.02) =   0.003%
          HA2   GLY   51 - HG    LEU  123  21.58 +/- 4.65   0.572% *  0.2975% (0.42  1.00   0.02   0.02) =   0.003%
          QB    SER   85 - HG    LEU  123  27.65 +/- 2.33   0.180% *  0.4398% (0.62  1.00   0.02   0.02) =   0.001%
    Distance limit 4.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.47, residual support = 200.3:
          HN    LEU  123 - HG    LEU  123   3.63 +/- 0.25  88.418% * 94.5332% (0.36   5.51 201.71) =  99.318%  kept
          HZ2   TRP   49 - HG    LEU  123  19.88 +/- 7.03  10.733% *  5.3377% (0.33   0.34   0.02) =   0.681%  kept
          HE21  GLN   17 - HG    LEU  123  21.24 +/- 5.46   0.849% *  0.1291% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.981, support = 3.07, residual support = 28.4:
          HA    ALA  120 - HB3   LEU  123   3.50 +/- 0.44  80.201% * 78.6412% (0.99   3.14  29.28) =  96.631%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.79 +/- 0.42  11.712% * 18.5971% (0.69   1.07   2.24) =   3.337%  kept
          QB    SER  117 - HB3   LEU  123  10.14 +/- 0.53   3.495% *  0.1726% (0.34   0.02   0.02) =   0.009%
          HA    LYS+  65 - HB3   LEU  123  17.72 +/- 3.54   0.827% *  0.4227% (0.84   0.02   0.02) =   0.005%
          HA2   GLY   16 - HB3   LEU  123  21.65 +/- 5.98   0.593% *  0.4538% (0.90   0.02   0.02) =   0.004%
          QB    SER   48 - HB3   LEU  123  23.17 +/- 3.92   0.592% *  0.4389% (0.87   0.02   0.02) =   0.004%
          HA2   GLY   51 - HB3   LEU  123  23.24 +/- 4.38   0.605% *  0.3069% (0.61   0.02   0.02) =   0.003%
          HD2   PRO   52 - HB3   LEU  123  21.96 +/- 5.02   1.412% *  0.1262% (0.25   0.02   0.02) =   0.003%
          HB    THR   94 - HB3   LEU  123  21.74 +/- 2.13   0.396% *  0.3867% (0.76   0.02   0.02) =   0.002%
          QB    SER   85 - HB3   LEU  123  28.76 +/- 2.49   0.165% *  0.4538% (0.90   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.917, support = 5.36, residual support = 172.7:
      O   HN    LEU  123 - HB3   LEU  123   3.46 +/- 0.31  41.883% * 88.3788% (0.98  10.0   5.51 201.71) =  84.696%  kept
          HN    ALA  124 - HB3   LEU  123   3.14 +/- 0.29  57.861% * 11.5592% (0.57   1.0   4.53  12.05) =  15.304%  kept
          HE21  GLN   17 - HB3   LEU  123  22.43 +/- 5.64   0.255% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.948, support = 2.91, residual support = 25.5:
          HA    ALA  120 - HB2   LEU  123   2.06 +/- 0.31  92.043% * 25.3499% (0.99  1.00   3.18  29.28) =  85.952%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.51 +/- 0.58   5.247% * 72.5602% (0.69 10.00   1.31   2.24) =  14.025%  kept
        T HA    LYS+  65 - HB2   LEU  123  17.16 +/- 3.19   0.327% *  1.3454% (0.84 10.00   0.02   0.02) =   0.016%
          QB    SER  117 - HB2   LEU  123   8.87 +/- 0.45   1.323% *  0.0549% (0.34  1.00   0.02   0.02) =   0.003%
          HA2   GLY   16 - HB2   LEU  123  21.48 +/- 5.58   0.386% *  0.1445% (0.90  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - HB2   LEU  123  20.51 +/- 1.79   0.138% *  0.1231% (0.76  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   LEU  123  22.53 +/- 3.52   0.115% *  0.1397% (0.87  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   LEU  123  22.61 +/- 3.98   0.121% *  0.0977% (0.61  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  21.23 +/- 4.64   0.245% *  0.0402% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  27.73 +/- 2.16   0.055% *  0.1445% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.969, support = 5.92, residual support = 196.6:
      O   HN    LEU  123 - HB2   LEU  123   2.34 +/- 0.28  81.187% * 89.1259% (0.98  10.0   5.97 201.71) =  97.292%  kept
          HN    ALA  124 - HB2   LEU  123   4.17 +/- 0.18  18.631% * 10.8116% (0.57   1.0   4.20  12.05) =   2.708%  kept
          HE21  GLN   17 - HB2   LEU  123  22.22 +/- 5.35   0.182% *  0.0625% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.562, support = 5.12, residual support = 29.0:
        T HA    ALA  120 - QD1   LEU  123   2.55 +/- 0.77  71.722% * 93.5837% (0.57 10.00   5.15  29.28) =  98.795%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.54 +/- 0.85  15.971% *  5.0233% (0.20  1.00   3.07   2.24) =   1.181%  kept
          HD2   PRO   52 - QD1   LEU  123  16.30 +/- 4.60   5.334% *  0.1263% (0.76  1.00   0.02   0.02) =   0.010%
        T HA    SER   48 - QD1   LEU  123  18.47 +/- 3.51   0.851% *  0.5102% (0.31 10.00   0.02   0.02) =   0.006%
          HA    LYS+  65 - QD1   LEU  123  12.78 +/- 2.65   1.052% *  0.1564% (0.95  1.00   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU  123  16.45 +/- 4.09   0.692% *  0.1482% (0.90  1.00   0.02   0.02) =   0.002%
          HA    GLN   32 - QD1   LEU  123  22.24 +/- 4.34   0.816% *  0.0936% (0.57  1.00   0.02   0.02) =   0.001%
          QB    SER   48 - QD1   LEU  123  17.52 +/- 3.47   1.093% *  0.0564% (0.34  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD1   LEU  123  17.40 +/- 4.07   1.528% *  0.0255% (0.15  1.00   0.02   0.02) =   0.001%
          QB    SER   85 - QD1   LEU  123  22.50 +/- 2.06   0.199% *  0.1482% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.34 +/- 1.91   0.561% *  0.0412% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  23.08 +/- 2.47   0.181% *  0.0870% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.577, support = 1.83, residual support = 9.21:
      O   HN    ALA  124 - QB    ALA  124   2.30 +/- 0.29  90.245% * 79.2540% (0.57  10.0   1.81   9.13) =  97.333%  kept
          HN    LEU  123 - QB    ALA  124   5.41 +/- 0.37   9.492% * 20.6395% (0.98   1.0   2.72  12.05) =   2.666%  kept
          HE21  GLN   17 - QB    ALA  124  19.97 +/- 5.19   0.263% *  0.1065% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.977, support = 1.82, residual support = 9.19:
      O   HN    ALA  124 - HA    ALA  124   2.76 +/- 0.23  83.263% * 88.9168% (0.98  10.0   1.81   9.13) =  98.232%  kept
          HN    LEU  123 - HA    ALA  124   5.45 +/- 0.38  12.186% * 10.9307% (0.80   1.0   2.72  12.05) =   1.767%  kept
          HN    ALA  120 - HA    ALA  124   9.41 +/- 0.66   2.373% *  0.0176% (0.18   1.0   0.02   0.02) =   0.001%
          HE21  GLN   17 - HA    ALA  124  24.06 +/- 5.70   0.206% *  0.1005% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.08 +/- 3.07   0.668% *  0.0116% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  24.05 +/- 7.38   0.468% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  22.33 +/- 6.18   0.566% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  23.28 +/- 4.49   0.271% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.929, support = 4.64, residual support = 66.6:
      O   HN    ALA  124 - HA    LEU  123   2.27 +/- 0.03  65.271% * 55.0021% (0.98  10.0   4.12  12.05) =  71.260%  kept
      O   HN    LEU  123 - HA    LEU  123   2.87 +/- 0.06  32.224% * 44.9320% (0.80  10.0   5.93 201.71) =  28.739%  kept
          HN    ALA  120 - HA    LEU  123   6.88 +/- 0.22   2.361% *  0.0098% (0.18   1.0   0.02  29.28) =   0.000%
          HE21  GLN   17 - HA    LEU  123  21.12 +/- 5.54   0.144% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  18.88 +/- 5.95 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.34 A violated in 20 structures by 15.54 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 = 23.6:
      O   HN    ILE  103 - HA    LYS+ 102   2.35 +/- 0.13  98.968% * 99.7350% (0.69  10.0   5.98  23.64) =  99.999%  kept
          HN    SER   82 - HA    LYS+ 102  19.00 +/- 3.72   0.408% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA    LYS+ 102  18.89 +/- 1.63   0.208% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.27 +/- 5.04   0.239% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.71 +/- 1.27   0.177% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.9:
      O   HN    PHE   95 - HA    THR   94   2.30 +/- 0.13 100.000% *100.0000% (0.73  10.0   3.16  14.94) = 100.000%  kept
    Distance limit 2.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.97, residual support = 85.2:
      O   HN    LEU   80 - HB2   LEU   80   3.14 +/- 0.71  96.381% * 99.7811% (1.00  10.0   5.97  85.17) =  99.998%  kept
          HN    ALA   34 - HB2   LEU   80  16.15 +/- 3.98   1.222% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   LEU   80  18.50 +/- 2.87   0.689% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB2   LEU   80  14.67 +/- 4.85   1.708% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.48, residual support = 85.2:
      O   HN    LEU   80 - HB3   LEU   80   3.35 +/- 0.37  96.310% * 99.7811% (1.00  10.0   6.48  85.17) =  99.998%  kept
          HN    ALA   34 - HB3   LEU   80  16.40 +/- 3.70   1.184% *  0.0965% (0.97   1.0   0.02   0.02) =   0.001%
          HN    CYS   53 - HB3   LEU   80  18.48 +/- 2.94   0.731% *  0.0946% (0.95   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HB3   LEU   80  14.86 +/- 4.56   1.775% *  0.0278% (0.28   1.0   0.02   0.02) =   0.001%
    Distance limit 3.37 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 5.25, residual support = 84.9:
      O   HA    LEU   80 - HB3   LEU   80   2.73 +/- 0.23  84.966% * 95.1035% (0.98  10.0   5.26  85.17) =  99.653%  kept
          HA    ASP-  78 - HB3   LEU   80   7.12 +/- 0.57   5.481% *  3.4017% (0.61   1.0   1.16   5.96) =   0.230%  kept
          HA    THR   23 - HB3   LEU   80  10.03 +/- 5.52   6.867% *  1.3450% (0.90   1.0   0.31   1.78) =   0.114%  kept
          HB    THR   23 - HB3   LEU   80  11.94 +/- 5.37   2.353% *  0.0870% (0.90   1.0   0.02   1.78) =   0.003%
          HA    ASP- 105 - HB3   LEU   80  18.52 +/- 2.59   0.333% *  0.0628% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 4.22, residual support = 85.1:
      O   QD2   LEU   80 - HB3   LEU   80   2.77 +/- 0.43  42.650% * 77.3053% (0.57  10.0  1.00   4.04  85.17) =  78.461%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.63 +/- 0.44  48.794% * 18.4793% (0.14  10.0  1.00   4.87  85.17) =  21.457%  kept
        T QD1   LEU   73 - HB3   LEU   80   8.52 +/- 1.84   1.621% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.049%
        T QD1   LEU   63 - HB3   LEU   80  14.44 +/- 2.99   0.488% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.015%
        T QD2   LEU   63 - HB3   LEU   80  14.10 +/- 2.52   0.383% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T QD1   LEU  104 - HB3   LEU   80  16.19 +/- 3.56   0.413% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   41 - HB3   LEU   80  10.39 +/- 2.68   3.323% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   98 - HB3   LEU   80  11.34 +/- 2.77   2.045% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LEU   80  15.35 +/- 1.79   0.282% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.86, residual support = 84.5:
      O   HA    LEU   80 - HG    LEU   80   3.39 +/- 0.56  54.038% * 95.2745% (0.63  10.0   4.90  85.17) =  99.227%  kept
          HA    ASP-  78 - HG    LEU   80   7.94 +/- 1.28   8.580% *  2.6450% (0.39   1.0   0.90   5.96) =   0.437%  kept
          HA    THR   23 - HG    LEU   80   9.03 +/- 5.99  12.086% *  1.3474% (0.58   1.0   0.31   1.78) =   0.314%  kept
          HB    THR   23 - HG    LEU   80  10.78 +/- 5.84   3.547% *  0.0872% (0.58   1.0   0.02   1.78) =   0.006%
          HA    THR   23 - HG    LEU   73   9.67 +/- 2.95   5.094% *  0.0346% (0.23   1.0   0.02   0.23) =   0.003%
          HA    ASP- 105 - HG    LEU   40  10.82 +/- 1.51   2.507% *  0.0473% (0.31   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HG    LEU   73  10.49 +/- 3.25   3.372% *  0.0346% (0.23   1.0   0.02   0.23) =   0.002%
          HA    LEU   80 - HG    LEU   40  18.13 +/- 3.34   1.268% *  0.0717% (0.48   1.0   0.02   0.02) =   0.002%
          HA    LEU   80 - HG    LEU   73  11.75 +/- 2.15   2.110% *  0.0378% (0.25   1.0   0.02   0.02) =   0.002%
          HB    THR   23 - HG12  ILE   19  12.34 +/- 1.86   1.687% *  0.0297% (0.20   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG12  ILE   19  12.54 +/- 1.14   1.339% *  0.0297% (0.20   1.0   0.02   0.02) =   0.001%
          HA    ASP- 105 - HG    LEU   80  18.85 +/- 3.05   0.556% *  0.0629% (0.42   1.0   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   40  19.27 +/- 1.34   0.351% *  0.0656% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.06 +/- 4.22   0.658% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  19.92 +/- 1.32   0.318% *  0.0656% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  15.12 +/- 1.39   0.781% *  0.0234% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  21.10 +/- 2.45   0.392% *  0.0444% (0.30   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  17.29 +/- 2.17   0.601% *  0.0250% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.60 +/- 3.21   0.385% *  0.0201% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.31 +/- 2.06   0.331% *  0.0214% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.201, support = 4.79, residual support = 125.1:
          HN    LEU   73 - HG    LEU   73   3.31 +/- 0.53  25.011% * 39.5520% (0.20   5.68 172.97) =  60.398%  kept
          HN    VAL   42 - HG    LEU   40   4.92 +/- 0.87   9.328% * 31.1469% (0.37   2.36   1.96) =  17.739%  kept
          HN    ILE   19 - HG12  ILE   19   2.72 +/- 0.75  40.419% *  6.4572% (0.03   5.35 126.21) =  15.935%  kept
          HN    ILE   19 - HG    LEU   73   6.96 +/- 3.68   8.613% *  4.0184% (0.04   2.86   5.45) =   2.113%  kept
          HN    LEU   73 - HG12  ILE   19   6.58 +/- 3.16   4.865% *  4.6280% (0.17   0.77   5.45) =   1.375%  kept
          HN    VAL   42 - HG    LEU   73   7.56 +/- 2.07   2.997% *  7.2549% (0.20   1.04   0.45) =   1.327%  kept
          HN    VAL   42 - HG    LEU   80  11.53 +/- 3.09   3.338% *  5.1285% (0.49   0.29   0.02) =   1.045%  kept
          HN    LEU   73 - HG    LEU   80  10.66 +/- 2.50   0.894% *  0.3510% (0.49   0.02   0.02) =   0.019%
          HN    LEU   73 - HG    LEU   40   9.12 +/- 1.40   1.156% *  0.2641% (0.37   0.02   0.02) =   0.019%
          HN    VAL   42 - HG12  ILE   19   9.69 +/- 3.89   1.371% *  0.1195% (0.17   0.02   0.02) =   0.010%
          HN    LYS+ 106 - HG    LEU   40  11.76 +/- 1.67   0.537% *  0.2887% (0.41   0.02   0.02) =   0.009%
          HN    LYS+ 106 - HG    LEU   80  18.45 +/- 2.70   0.169% *  0.3837% (0.54   0.02   0.02) =   0.004%
          HN    ILE   19 - HG    LEU   40  11.58 +/- 2.31   0.604% *  0.0533% (0.08   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG    LEU   73  17.15 +/- 2.35   0.210% *  0.1523% (0.21   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   80  14.11 +/- 5.64   0.402% *  0.0709% (0.10   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG12  ILE   19  20.60 +/- 2.09   0.087% *  0.1306% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.763, support = 6.01, residual support = 173.0:
      O T HA    LYS+  99 - HB3   LYS+  99   2.60 +/- 0.24  80.641% * 93.0918% (0.76  10.0 10.00   6.05 174.38) =  99.131%  kept
          HA    LEU   40 - HB3   LYS+  99   5.84 +/- 1.77  13.314% *  4.8858% (0.65   1.0  1.00   1.24  10.62) =   0.859%  kept
        T HA    ILE   56 - HB3   LYS+  99  22.35 +/- 3.86   0.218% *  1.1245% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          HA    PRO   58 - HB3   LYS+  99  19.49 +/- 5.68   3.263% *  0.0593% (0.49   1.0  1.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HB3   LYS+  99  11.01 +/- 1.99   1.473% *  0.1092% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T HA    ASP- 113 - HB3   LYS+  99  21.41 +/- 1.41   0.160% *  0.5008% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HB3   LYS+  99  18.23 +/- 7.09   0.550% *  0.1194% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   LYS+  99  19.10 +/- 3.69   0.263% *  0.0546% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  24.19 +/- 3.64   0.119% *  0.0546% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 174.4:
      O   HN    LYS+  99 - HB3   LYS+  99   3.15 +/- 0.29  87.902% * 99.4797% (0.31  10.0   3.89 174.38) =  99.985%  kept
          HE1   HIS  122 - HB3   LYS+  99  12.79 +/- 7.17   9.568% *  0.0804% (0.25   1.0   0.02   0.02) =   0.009%
          HN    ASN   35 - HB3   LYS+  99  12.41 +/- 2.04   2.009% *  0.2692% (0.84   1.0   0.02   0.02) =   0.006%
          HN    ALA   12 - HB3   LYS+  99  26.75 +/- 4.48   0.197% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  22.50 +/- 3.46   0.325% *  0.0497% (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 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.91, residual support = 17.6:
        T QD1   LEU  104 - HB3   LYS+  99   3.42 +/- 1.63  84.756% * 97.6099% (0.41 10.00   1.92  17.61) =  99.896%  kept
        T QG2   ILE   89 - HB3   LYS+  99  15.47 +/- 0.85   3.477% *  2.0708% (0.84 10.00   0.02   0.02) =   0.087%
          QG1   VAL   83 - HB3   LYS+  99  13.71 +/- 2.67   5.032% *  0.2150% (0.87  1.00   0.02   0.02) =   0.013%
          QD2   LEU  115 - HB3   LYS+  99  14.54 +/- 1.69   3.933% *  0.0491% (0.20  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - HB3   LYS+  99  15.52 +/- 2.70   2.801% *  0.0552% (0.22  1.00   0.02   0.02) =   0.002%
    Distance limit 3.54 A violated in 2 structures by 0.46 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 1.88, residual support = 10.5:
        T QD2   LEU   40 - HB3   LYS+  99   3.79 +/- 1.26  68.111% * 96.2187% (0.76 10.00   1.89  10.62) =  98.853%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.97 +/- 0.90  21.716% *  3.4612% (0.61  1.00   0.86   0.30) =   1.134%  kept
          QD1   LEU   67 - HB3   LYS+  99  11.25 +/- 2.90   5.815% *  0.0965% (0.73  1.00   0.02   0.02) =   0.008%
          HB    VAL   75 - HB3   LYS+  99  15.28 +/- 1.87   1.607% *  0.1257% (0.95  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HB3   LYS+  99  19.37 +/- 2.72   1.086% *  0.0647% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LYS+  99  14.52 +/- 3.27   1.665% *  0.0331% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 1 structures by 0.27 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.64, residual support = 174.4:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.87 +/- 0.21  91.608% * 99.4593% (0.97  10.0   5.64 174.38) =  99.994%  kept
          HG2   LYS+  38 - HB3   LYS+  99  11.19 +/- 2.12   2.330% *  0.1028% (1.00   1.0   0.02   0.02) =   0.003%
          HB2   LEU   31 - HB3   LYS+  99  13.35 +/- 2.34   1.346% *  0.0708% (0.69   1.0   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   LYS+  99  16.59 +/- 1.45   0.559% *  0.0894% (0.87   1.0   0.02   0.02) =   0.001%
          HB2   LEU   63 - HB3   LYS+  99  15.03 +/- 2.32   0.910% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  17.02 +/- 6.79   1.269% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  14.84 +/- 1.62   0.791% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  16.89 +/- 1.43   0.498% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  19.06 +/- 3.08   0.459% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  22.84 +/- 2.84   0.229% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 174.4:
      O T HB2   LYS+  99 - HA    LYS+  99   2.84 +/- 0.29  97.403% * 99.7492% (0.99  10.0 10.00   7.00 174.38) =  99.998%  kept
          HB    VAL   43 - HA    LYS+  99  11.23 +/- 1.14   1.849% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HA    LYS+  99  22.11 +/- 2.83   0.287% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.92 +/- 3.18   0.461% *  0.0570% (0.57   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.702, support = 5.22, residual support = 182.2:
      O   HB3   LYS+  99 - HG3   LYS+  99   2.63 +/- 0.25  28.209% * 58.3907% (0.99  10.0  1.00   5.22 174.38) =  55.669%  kept
      O T QD    LYS+  99 - HG3   LYS+  99   2.36 +/- 0.15  37.420% * 20.0954% (0.34  10.0 10.00   5.27 174.38) =  25.415%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.63 +/- 0.23  28.024% * 19.9563% (0.34  10.0 10.00   5.17 215.96) =  18.901%  kept
        T QD    LYS+ 106 - HG12  ILE   89   8.96 +/- 2.29   2.028% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.005%
        T QD    LYS+ 106 - HG3   LYS+  99  12.24 +/- 2.09   0.598% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.004%
        T QG1   ILE   56 - HG3   LYS+  99  19.02 +/- 3.49   0.177% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  99 - HG3   LYS+  38   8.51 +/- 2.35   1.840% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.001%
        T HB    ILE   89 - HG3   LYS+  99  19.85 +/- 1.87   0.075% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HG12  ILE   89  17.19 +/- 1.96   0.128% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.69 +/- 2.74   0.258% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  10.92 +/- 1.95   0.532% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.26 +/- 2.86   0.050% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.12 +/- 1.53   0.107% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.97 +/- 2.06   0.081% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  17.73 +/- 2.28   0.107% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  14.88 +/- 2.78   0.241% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  25.02 +/- 1.92   0.034% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  18.56 +/- 2.27   0.091% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.42, residual support = 174.3:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.77 +/- 0.30  85.426% * 97.9462% (0.99  10.0 10.00   6.42 174.38) =  99.954%  kept
        T HB    VAL   43 - HG12  ILE   89   7.75 +/- 1.65   6.448% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.029%
        T HB    VAL   43 - HG3   LYS+  99  13.68 +/- 1.51   0.936% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   LYS+  99 - HG3   LYS+  38  10.73 +/- 1.78   2.306% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+  99 - HG12  ILE   89  17.52 +/- 1.61   0.386% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG12  ILE   89  10.88 +/- 1.52   2.383% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG3   LYS+  99  24.08 +/- 3.20   0.197% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  20.19 +/- 2.97   0.278% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  18.18 +/- 4.46   0.974% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  24.13 +/- 3.93   0.172% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  18.25 +/- 1.41   0.345% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  27.01 +/- 3.86   0.151% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 110.4:
    * O   HA    GLN  116 - HG3   GLN  116   3.20 +/- 0.56  96.456% * 99.5202% (1.00  10.0   5.16 110.41) =  99.998%  kept
          HA    VAL   70 - HG3   GLN  116  17.40 +/- 3.68   0.904% *  0.0995% (1.00   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   GLN  116  19.07 +/- 2.75   0.614% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  17.56 +/- 2.30   0.843% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  29.19 +/- 3.60   0.153% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  27.26 +/- 1.95   0.191% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  28.78 +/- 3.31   0.154% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  26.13 +/- 3.46   0.224% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  22.18 +/- 3.40   0.460% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.63, residual support = 110.4:
      O   HB2   GLN  116 - HG3   GLN  116   2.60 +/- 0.34  93.710% * 99.6757% (0.98  10.0   5.63 110.41) =  99.997%  kept
          HB2   PRO   58 - HG3   GLN  116   9.17 +/- 2.42   5.244% *  0.0456% (0.45   1.0   0.02   0.02) =   0.003%
          HB3   PHE   97 - HG3   GLN  116  15.26 +/- 1.53   0.590% *  0.0912% (0.90   1.0   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HG3   GLN  116  25.65 +/- 1.78   0.120% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  21.90 +/- 2.57   0.210% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  27.27 +/- 2.75   0.126% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.961, support = 6.36, residual support = 97.2:
          QD2   LEU  115 - HG3   GLN  116   4.55 +/- 0.95  59.877% * 95.0483% (0.97   6.46  98.67) =  98.471%  kept
          QD1   LEU   63 - HG3   GLN  116   8.56 +/- 2.75  21.933% *  3.9119% (0.69   0.37   0.02) =   1.485%  kept
          QD1   LEU   73 - HG3   GLN  116  16.93 +/- 3.91   6.796% *  0.2096% (0.69   0.02   0.02) =   0.025%
          QD1   LEU  104 - HG3   GLN  116  16.12 +/- 1.92   1.381% *  0.2990% (0.98   0.02   0.02) =   0.007%
          QD2   LEU   63 - HG3   GLN  116   9.85 +/- 2.52   8.597% *  0.0471% (0.15   0.02   0.02) =   0.007%
          QD2   LEU   80 - HG3   GLN  116  19.67 +/- 1.64   0.694% *  0.2990% (0.98   0.02   0.02) =   0.004%
          QG1   VAL   83 - HG3   GLN  116  19.43 +/- 1.60   0.723% *  0.1850% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.39, residual support = 110.4:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.507% * 99.7025% (0.98  10.0  1.00   5.39 110.41) =  99.999%  kept
          HB3   PHE   95 - HG3   GLN  116  10.82 +/- 0.98   0.465% *  0.0962% (0.95   1.0  1.00   0.02   0.78) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  30.39 +/- 4.20   0.028% *  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 = 4.16, residual support = 110.3:
      O   HE21  GLN  116 - HG3   GLN  116   3.31 +/- 0.45  74.068% * 99.1394% (0.69  10.0   4.17 110.41) =  99.869%  kept
          HN    ALA  120 - HG3   GLN  116   6.78 +/- 0.94  14.143% *  0.5887% (0.31   1.0   0.26   0.15) =   0.113%  kept
          HN    ALA   57 - HG3   GLN  116   8.65 +/- 2.56  11.374% *  0.1103% (0.76   1.0   0.02   0.02) =   0.017%
          HE21  GLN   90 - HG3   GLN  116  23.04 +/- 3.51   0.285% *  0.1393% (0.97   1.0   0.02   0.02) =   0.001%
          HD21  ASN   35 - HG3   GLN  116  29.68 +/- 3.46   0.130% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.698, support = 6.89, residual support = 103.6:
          HN    GLN  116 - HG3   GLN  116   3.82 +/- 0.74  57.552% * 81.2822% (0.69   7.27 110.41) =  93.832%  kept
          HN    THR  118 - HG3   GLN  116   6.28 +/- 0.69  17.168% * 16.5459% (0.92   1.10   0.14) =   5.698%  kept
          HN    GLU- 114 - HG3   GLN  116   6.90 +/- 1.42  11.198% *  1.6880% (0.25   0.42   2.01) =   0.379%  kept
          HN    PHE   60 - HG3   GLN  116   8.59 +/- 2.56  13.750% *  0.3254% (1.00   0.02   0.02) =   0.090%
          HN    GLU-  15 - HG3   GLN  116  25.40 +/- 3.54   0.332% *  0.1584% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.85 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.913, support = 6.55, residual support = 178.0:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  44.312% * 83.1549% (1.00  10.0 10.00   6.56 174.38) =  90.501%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  44.312% *  8.3928% (0.10  10.0 10.00   6.56 220.28) =   9.134%  kept
          QB    ALA   88 - HG12  ILE   89   4.83 +/- 0.54   2.443% *  5.8496% (0.28   1.0  1.00   5.04   8.82) =   0.351%  kept
        T HG2   LYS+  38 - HG3   LYS+  99   9.87 +/- 2.45   0.473% *  0.8043% (0.97   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  99 - HG3   LYS+  38   9.03 +/- 2.32   0.568% *  0.0868% (0.10   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 111 - HG12  ILE   89  15.63 +/- 2.58   0.107% *  0.3120% (0.37   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HG3   LYS+  99   7.17 +/- 1.36   0.877% *  0.0208% (0.25   1.0  1.00   0.02  18.56) =   0.000%
          QB    ALA   84 - HG12  ILE   89   5.38 +/- 1.27   2.736% *  0.0059% (0.07   1.0  1.00   0.02  12.64) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.96 +/- 2.99   0.019% *  0.7693% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   7.13 +/- 2.40   1.383% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.58 +/- 2.38   0.145% *  0.0723% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.57 +/- 1.86   0.400% *  0.0245% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  17.73 +/- 7.57   0.176% *  0.0284% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.57 +/- 1.49   0.273% *  0.0165% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.52 +/- 2.48   0.069% *  0.0505% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.95 +/- 1.74   0.051% *  0.0572% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  20.32 +/- 3.32   0.047% *  0.0605% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.56 +/- 1.73   0.058% *  0.0406% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  16.63 +/- 3.33   0.067% *  0.0293% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.86 +/- 1.89   0.256% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.26 +/- 1.47   0.333% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.39 +/- 2.73   0.067% *  0.0205% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  19.15 +/- 1.64   0.037% *  0.0337% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  13.14 +/- 2.39   0.146% *  0.0084% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  18.20 +/- 1.86   0.045% *  0.0257% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  18.74 +/- 2.59   0.045% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  24.34 +/- 1.87   0.018% *  0.0326% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.72 +/- 2.84   0.212% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  22.19 +/- 1.57   0.023% *  0.0129% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.40 +/- 2.45   0.021% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  19.82 +/- 2.76   0.041% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  20.80 +/- 7.56   0.070% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.09 +/- 3.72   0.030% *  0.0063% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.57 +/- 1.80   0.030% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.94 +/- 1.39   0.021% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.31 +/- 3.07   0.040% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.35 +/- 3.33   0.009% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  22.30 +/- 2.86   0.027% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.44 +/- 2.14   0.012% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :     14
      with one assignment possibility        :    111
      with multiple assignment possibilities :   2109
      with given assignment possibilities    :      0
      with unique volume contribution        :   1243
      with multiple volume contributions     :    977
      eliminated by violation filter         :     86
 
    Peaks:
      selected                               :   2699
      without assignment                     :    123
      with assignment                        :   2576
      with unique assignment                 :   1542
      with multiple assignment               :   1034
      with reference assignment              :   1605
      with identical reference assignment    :   1025
      with compatible reference assignment   :    572
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    971
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.9
    QD2   LEU   40       3.9
    QD    PHE   45       3.9
    QG2   ILE   56       2.9
    QD    PHE   60       3.3
    HN    LYS+  65       5.1
    HZ    PHE   72       3.6
    HA    LEU   73       3.0
    HA    THR  118       3.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.95, residual support = 72.4:
        T HA    PHE   60 - QD    PHE   60   2.88 +/- 0.47  87.884% * 98.3426% (0.87 10.00   3.95  72.44) =  99.956%  kept
        T QB    SER  117 - QD    PHE   60  11.45 +/- 1.78   2.278% *  1.0168% (0.90 10.00   0.02   0.02) =   0.027%
        T QB    SER   48 - QD    PHE   60  10.83 +/- 2.24   2.440% *  0.4255% (0.38 10.00   0.02   0.02) =   0.012%
          HB    THR   94 - QD    PHE   60  10.58 +/- 2.60   3.082% *  0.0552% (0.49  1.00   0.02   0.02) =   0.002%
          HA2   GLY   51 - QD    PHE   60  10.80 +/- 1.72   2.073% *  0.0733% (0.65  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD    PHE   60  14.42 +/- 1.26   1.062% *  0.0642% (0.57  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - QD    PHE   60  13.19 +/- 0.90   1.181% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 1.02, residual support = 70.6:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  94.252% * 80.9303% (0.69  10.0   1.00  70.65) =  98.955%  kept
          HN    TRP   87 - HZ3   TRP   87   6.98 +/- 0.19   4.325% * 18.5951% (0.61   1.0   2.60  70.65) =   1.043%  kept
          HN    ALA   91 - HZ3   TRP   87  13.60 +/- 0.93   0.626% *  0.0727% (0.31   1.0   0.02   0.02) =   0.001%
          HD21  ASN   69 - HZ3   TRP   87  18.67 +/- 3.23   0.282% *  0.1334% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  18.57 +/- 3.85   0.351% *  0.0884% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  22.65 +/- 4.55   0.164% *  0.1801% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  18.97 +/- 3.51 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.86 A violated in 20 structures by 14.11 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.13, residual support = 5.53:
          QB    ALA   20 - HE1   HIS   22   3.49 +/- 0.40  96.002% * 93.4905% (0.76   1.13   5.53) =  99.951%  kept
          QG2   VAL  107 - HE1   HIS   22  19.92 +/- 3.16   0.908% *  2.0545% (0.95   0.02   0.02) =   0.021%
          HG13  ILE  119 - HE1   HIS   22  21.56 +/- 5.54   1.657% *  0.6039% (0.28   0.02   0.02) =   0.011%
          HG2   LYS+ 121 - HE1   HIS   22  27.73 +/- 5.42   0.328% *  2.1670% (1.00   0.02   0.02) =   0.008%
          HG13  ILE  103 - HE1   HIS   22  23.60 +/- 2.02   0.371% *  1.1426% (0.53   0.02   0.02) =   0.005%
          HB3   LEU   31 - HE1   HIS   22  18.24 +/- 0.97   0.733% *  0.5416% (0.25   0.02   0.02) =   0.004%
    Distance limit 4.04 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 = 0.46, support = 4.28, residual support = 33.9:
          HN    ASN   28 - HD1   TRP   27   2.97 +/- 0.41  79.508% * 35.4552% (0.25   5.06  47.09) =  71.568%  kept
          HN    GLU-  25 - HD1   TRP   27   5.07 +/- 0.66  17.499% * 63.9078% (0.99   2.30   0.66) =  28.393%  kept
          HN    ASP-  44 - HD1   TRP   27  10.41 +/- 2.64   2.767% *  0.5504% (0.98   0.02   0.02) =   0.039%
          HN    ALA  110 - HD1   TRP   27  23.17 +/- 3.08   0.225% *  0.0866% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 1.97, residual support = 100.8:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.97 100.77) = 100.000%  kept
    Distance limit 3.71 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 = 100.8:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  98.760% * 99.9799% (0.89  10.0   1.55 100.77) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  12.28 +/- 1.87   1.240% *  0.0201% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 3.85, residual support = 100.8:
          HA    TRP   27 - HE3   TRP   27   3.23 +/- 0.46  92.731% * 98.4255% (0.96   3.85 100.77) =  99.988%  kept
          HA    ALA   91 - HE3   TRP   27  18.70 +/- 3.00   0.663% *  0.5247% (0.98   0.02   0.02) =   0.004%
          HA    VAL  107 - HE3   TRP   27  18.03 +/- 1.00   0.656% *  0.4887% (0.91   0.02   0.02) =   0.004%
          HA    TRP   27 - HN    LEU   67  14.88 +/- 1.70   1.614% *  0.0795% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HE3   TRP   27  21.65 +/- 2.70   0.505% *  0.1987% (0.37   0.02   0.02) =   0.001%
          HA    VAL  107 - HN    LEU   67  16.74 +/- 2.16   1.146% *  0.0760% (0.14   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    LEU   67  18.46 +/- 3.31   1.207% *  0.0309% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  22.27 +/- 2.95   0.456% *  0.0817% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  21.91 +/- 2.64   0.345% *  0.0816% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  20.23 +/- 3.28   0.678% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 100.8:
      O   HB3   TRP   27 - HE3   TRP   27   2.59 +/- 0.16  93.100% * 98.0783% (0.17  10.0   4.50 100.77) =  99.983%  kept
          QE    LYS+ 102 - HE3   TRP   27  15.16 +/- 3.53   1.156% *  0.5405% (0.96   1.0   0.02   0.02) =   0.007%
          QE    LYS+  99 - HE3   TRP   27  13.40 +/- 1.62   0.802% *  0.4678% (0.83   1.0   0.02   0.02) =   0.004%
          QE    LYS+  38 - HE3   TRP   27  15.17 +/- 1.81   0.596% *  0.5551% (0.98   1.0   0.02   0.02) =   0.004%
          QE    LYS+  99 - HN    LEU   67  12.62 +/- 2.16   1.025% *  0.0728% (0.13   1.0   0.02   0.02) =   0.001%
          QE    LYS+  38 - HN    LEU   67  15.92 +/- 2.82   0.780% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          HB2   PHE   97 - HE3   TRP   27  13.93 +/- 1.27   0.667% *  0.0864% (0.15   1.0   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HN    LEU   67  19.21 +/- 2.50   0.342% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  13.48 +/- 1.92   0.863% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  14.36 +/- 1.91   0.670% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.653, support = 2.32, residual support = 12.6:
          QG1   VAL   43 - HE3   TRP   27   6.22 +/- 3.24  14.197% * 48.7758% (0.99   2.32   5.27) =  44.436%  kept
          QD2   LEU   73 - HE3   TRP   27   3.56 +/- 2.41  33.772% * 17.0856% (0.28   2.92  21.30) =  37.028%  kept
          HG    LEU   31 - HE3   TRP   27   4.43 +/- 0.70  16.748% * 10.4953% (0.41   1.21  20.58) =  11.279%  kept
          QG1   VAL   41 - HE3   TRP   27   6.78 +/- 1.85   4.870% * 21.9286% (0.94   1.10   0.02) =   6.852%  kept
          QG2   VAL   18 - HN    LEU   67   6.38 +/- 2.89   9.788% *  0.3442% (0.14   0.11   0.02) =   0.216%  kept
          QD1   ILE   19 - HE3   TRP   27   7.27 +/- 1.14   4.471% *  0.2049% (0.48   0.02   0.02) =   0.059%
          QG2   VAL   18 - HE3   TRP   27   8.68 +/- 1.42   2.180% *  0.3887% (0.91   0.02   0.02) =   0.054%
          QG2   THR   46 - HE3   TRP   27  10.36 +/- 1.82   1.552% *  0.3517% (0.83   0.02   0.02) =   0.035%
          QD2   LEU  104 - HE3   TRP   27  12.54 +/- 2.61   1.301% *  0.1436% (0.34   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    LEU   67  10.10 +/- 1.66   4.157% *  0.0319% (0.08   0.02   0.02) =   0.009%
          QG2   THR   46 - HN    LEU   67  10.80 +/- 3.17   2.072% *  0.0547% (0.13   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    LEU   67  11.06 +/- 1.52   1.117% *  0.0620% (0.15   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    LEU   67  11.40 +/- 1.38   0.881% *  0.0655% (0.15   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    LEU   67   9.30 +/- 1.15   1.756% *  0.0182% (0.04   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    LEU   67  13.53 +/- 2.09   0.686% *  0.0223% (0.05   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   67  15.49 +/- 2.08   0.453% *  0.0269% (0.06   0.02   0.02) =   0.001%
    Distance limit 4.86 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 = 0.457, support = 5.66, residual support = 18.2:
          QD1   LEU   73 - HE3   TRP   27   2.85 +/- 2.09  57.156% * 42.2492% (0.37   6.44  21.30) =  75.804%  kept
          QD2   LEU   80 - HE3   TRP   27   6.44 +/- 4.16  14.552% * 47.1056% (0.76   3.53   9.37) =  21.518%  kept
          QD1   LEU   63 - HE3   TRP   27  10.80 +/- 2.91  13.689% *  5.0094% (0.37   0.76   0.02) =   2.153%  kept
          QG1   VAL   83 - HE3   TRP   27   7.94 +/- 3.88   3.412% *  4.7174% (0.89   0.30   0.68) =   0.505%  kept
          QD1   LEU  104 - HE3   TRP   27  13.07 +/- 2.31   0.618% *  0.3305% (0.94   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    LEU   67   5.72 +/- 1.05   5.721% *  0.0204% (0.06   0.02   0.02) =   0.004%
          QD2   LEU  115 - HE3   TRP   27  14.42 +/- 1.98   0.430% *  0.2537% (0.72   0.02   0.02) =   0.003%
          QG2   ILE   89 - HE3   TRP   27  11.27 +/- 2.77   0.810% *  0.0971% (0.28   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   67  13.22 +/- 2.15   0.988% *  0.0514% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU   67  10.66 +/- 1.40   0.913% *  0.0395% (0.11   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   67  14.33 +/- 1.56   0.405% *  0.0415% (0.12   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   67  10.88 +/- 1.13   0.774% *  0.0204% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  15.24 +/- 1.36   0.277% *  0.0488% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  15.28 +/- 1.97   0.256% *  0.0151% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.699, support = 1.21, residual support = 3.04:
          QG2   VAL   75 - HE3   TRP   27   4.81 +/- 3.16  54.141% * 73.8368% (0.72   1.30   3.46) =  87.375%  kept
          QG2   VAL   42 - HE3   TRP   27   8.07 +/- 1.62  22.204% * 25.8484% (0.56   0.58   0.15) =  12.544%  kept
          QG2   VAL   75 - HN    LEU   67   9.93 +/- 1.09  11.169% *  0.1769% (0.11   0.02   0.02) =   0.043%
          QG2   VAL   42 - HN    LEU   67   8.16 +/- 1.40  12.487% *  0.1379% (0.09   0.02   0.02) =   0.038%
    Distance limit 4.16 A violated in 4 structures by 0.66 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.7, residual support = 35.2:
      O T HB2   HIS   22 - HD2   HIS   22   3.83 +/- 0.32  97.827% * 99.9216% (0.92  10.0 10.00   2.70  35.18) =  99.999%  kept
          HA    LEU   63 - HD2   HIS   22  17.95 +/- 2.99   1.467% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HD2   HIS   22  23.68 +/- 4.29   0.706% *  0.0214% (0.20   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 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.26, residual support = 35.2:
      O T HB3   HIS   22 - HD2   HIS   22   3.02 +/- 0.36  99.378% * 99.8217% (0.45  10.0 10.00   3.26  35.18) =  99.999%  kept
          HD3   ARG+  54 - HD2   HIS   22  21.31 +/- 5.15   0.622% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.804, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  10.52 +/- 2.28  37.774% * 29.7119% (0.92   0.02   0.02) =  52.943%  kept
          QB    CYS   50 - HD2   HIS   22  16.48 +/- 4.00  14.761% * 28.8658% (0.90   0.02   0.02) =  20.100%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.17 +/- 4.23  18.106% * 19.5221% (0.61   0.02   0.02) =  16.674%  kept
          HB2   PHE   72 - HD2   HIS   22  12.74 +/- 1.36  23.327% *  4.9662% (0.15   0.02   0.02) =   5.465%  kept
          HB3   ASN   69 - HD2   HIS   22  20.75 +/- 2.74   6.031% * 16.9340% (0.53   0.02   0.02) =   4.818%  kept
    Distance limit 4.90 A violated in 19 structures by 4.41 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.19, residual support = 5.53:
        T QB    ALA   20 - HD2   HIS   22   3.81 +/- 0.47  96.296% * 98.9678% (0.28 10.00   2.19   5.53) =  99.993%  kept
          QG2   VAL  107 - HD2   HIS   22  20.16 +/- 2.30   0.812% *  0.3088% (0.87  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HD2   HIS   22  22.55 +/- 2.17   0.552% *  0.3435% (0.97  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HD2   HIS   22  28.02 +/- 4.99   0.373% *  0.2303% (0.65  1.00   0.02   0.02) =   0.001%
          QG2   THR   94 - HD2   HIS   22  17.50 +/- 1.41   1.086% *  0.0704% (0.20  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HD2   HIS   22  23.94 +/- 5.01   0.882% *  0.0792% (0.22  1.00   0.02   0.02) =   0.001%
    Distance limit 4.52 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  18.85 +/- 3.47 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.85 A violated in 20 structures by 14.00 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.24, residual support = 8.18:
          HA    CYS   21 - HD2   HIS   22   3.81 +/- 0.10  92.398% * 97.4400% (0.95   3.25   8.18) =  99.958%  kept
          HA    TRP   49 - HD2   HIS   22  19.37 +/- 5.57   3.105% *  0.6346% (1.00   0.02   0.02) =   0.022%
          HA    CYS   50 - HD2   HIS   22  19.36 +/- 4.54   1.863% *  0.6003% (0.95   0.02   0.02) =   0.012%
          HA    ALA   47 - HD2   HIS   22  17.97 +/- 3.74   1.616% *  0.1765% (0.28   0.02   0.02) =   0.003%
          HA    LYS+ 102 - HD2   HIS   22  24.33 +/- 3.12   0.425% *  0.4105% (0.65   0.02   0.02) =   0.002%
          HA1   GLY  109 - HD2   HIS   22  28.23 +/- 2.59   0.253% *  0.6125% (0.97   0.02   0.02) =   0.002%
          HA    VAL  108 - HD2   HIS   22  25.40 +/- 2.25   0.340% *  0.1256% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.964, support = 3.2, residual support = 45.9:
          HA    ASN   28 - HD1   TRP   27   3.87 +/- 0.44  72.791% * 79.0516% (1.00   3.23  47.09) =  95.263%  kept
          HA    THR   26 - HD1   TRP   27   6.70 +/- 0.52  15.257% * 18.5554% (0.28   2.72  22.65) =   4.687%  kept
          HA    ALA   34 - HD1   TRP   27  12.73 +/- 0.80   2.214% *  0.4535% (0.92   0.02   0.02) =   0.017%
          HA1   GLY  101 - HD1   TRP   27  16.71 +/- 4.95   2.036% *  0.3754% (0.76   0.02   0.02) =   0.013%
          HA    LYS+  81 - HD1   TRP   27  11.71 +/- 4.86   4.722% *  0.0972% (0.20   0.02   0.02) =   0.008%
          HA    ARG+  54 - HD1   TRP   27  21.03 +/- 3.53   0.909% *  0.3374% (0.69   0.02   0.02) =   0.005%
          HA    LEU  115 - HD1   TRP   27  20.80 +/- 2.18   0.547% *  0.4869% (0.99   0.02   0.02) =   0.004%
          HA    GLU- 114 - HD1   TRP   27  24.32 +/- 2.11   0.335% *  0.2980% (0.61   0.02   0.02) =   0.002%
          HA    ALA  124 - HD1   TRP   27  29.22 +/- 4.87   0.326% *  0.2781% (0.57   0.02   0.02) =   0.002%
          HA    GLU-  36 - HD1   TRP   27  17.27 +/- 0.92   0.864% *  0.0665% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.50 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 = 5.1, residual support = 27.0:
          HA    VAL   24 - HD1   TRP   27   2.47 +/- 0.63  98.150% * 99.5209% (1.00   5.10  26.96) =  99.997%  kept
          HA    LYS+  38 - HD1   TRP   27  16.27 +/- 1.77   0.622% *  0.2684% (0.69   0.02   0.02) =   0.002%
          HD2   PRO   68 - HD1   TRP   27  18.54 +/- 3.50   0.631% *  0.1333% (0.34   0.02   0.02) =   0.001%
          HA    ALA   61 - HD1   TRP   27  15.54 +/- 2.15   0.596% *  0.0773% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 100.8:
      O T HB2   TRP   27 - HD1   TRP   27   2.72 +/- 0.11  97.209% * 99.7544% (0.65  10.0 10.00   3.65 100.77) =  99.996%  kept
          HA    THR   77 - HD1   TRP   27  10.95 +/- 3.61   2.437% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.004%
          HD2   PRO   93 - HD1   TRP   27  18.90 +/- 2.97   0.354% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 100.8:
      O T HB3   TRP   27 - HD1   TRP   27   3.80 +/- 0.08  95.809% * 99.6316% (0.73  10.0 10.00   4.08 100.77) =  99.995%  kept
          QE    LYS+ 106 - HD1   TRP   27  16.67 +/- 3.05   1.482% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PHE   60 - HD1   TRP   27  16.81 +/- 2.75   1.483% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   97 - HD1   TRP   27  16.79 +/- 1.64   1.226% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.35 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 = 0.756, support = 3.48, residual support = 27.0:
        T QG2   VAL   24 - HD1   TRP   27   2.27 +/- 0.45  75.218% * 93.7443% (0.76 10.00   3.49  26.96) =  98.249%  kept
          QG1   VAL   24 - HD1   TRP   27   4.02 +/- 0.74  23.520% *  5.3332% (0.31  1.00   2.82  26.96) =   1.748%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.81 +/- 1.54   0.215% *  0.7935% (0.65 10.00   0.02   0.02) =   0.002%
          HG    LEU   63 - HD1   TRP   27  16.74 +/- 3.30   0.690% *  0.0744% (0.61  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HD1   TRP   27  20.88 +/- 3.86   0.190% *  0.0273% (0.22  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  20.75 +/- 3.17   0.167% *  0.0273% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.754, support = 3.0, residual support = 10.6:
          QD2   LEU   80 - HD1   TRP   27   5.10 +/- 4.70  34.294% * 45.7410% (0.87   3.23   9.37) =  53.522%  kept
          QD1   LEU   73 - HD1   TRP   27   5.51 +/- 2.31  27.202% * 27.5013% (0.49   3.46  21.30) =  25.525%  kept
          QG1   VAL   83 - HD1   TRP   27   6.51 +/- 5.00  24.277% * 24.5297% (0.80   1.88   0.68) =  20.319%  kept
          QD1   LEU   63 - HD1   TRP   27  13.95 +/- 3.38  11.579% *  1.5674% (0.49   0.20   0.02) =   0.619%  kept
          QD1   LEU  104 - HD1   TRP   27  15.45 +/- 2.53   0.529% *  0.3234% (0.99   0.02   0.02) =   0.006%
          QD2   LEU  115 - HD1   TRP   27  16.69 +/- 2.09   0.597% *  0.2725% (0.84   0.02   0.02) =   0.006%
          QG2   ILE   89 - HD1   TRP   27  11.07 +/- 3.25   1.522% *  0.0646% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.778, support = 1.67, residual support = 16.8:
          QD2   LEU   31 - HD1   TRP   27   4.53 +/- 0.87  58.387% * 71.9126% (0.73   1.93  20.58) =  80.894%  kept
          QG2   VAL   83 - HD1   TRP   27   7.33 +/- 4.39  36.322% * 27.1688% (1.00   0.53   0.68) =  19.012%  kept
          QD1   ILE   89 - HD1   TRP   27  10.85 +/- 3.10   5.290% *  0.9185% (0.90   0.02   0.02) =   0.094%
    Distance limit 4.40 A violated in 0 structures by 0.10 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.28, residual support = 100.8:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  96.424% * 99.7536% (0.28  10.0 10.00   1.28 100.77) =  99.991%  kept
          HZ    PHE   72 - HH2   TRP   27   9.70 +/- 2.16   3.576% *  0.2464% (0.69   1.0  1.00   0.02   0.35) =   0.009%
    Distance limit 4.66 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 = 2.05, residual support = 100.8:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.05 100.77) = 100.000%  kept
    Distance limit 4.90 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 = 100.8:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  94.492% * 99.6514% (1.00  10.0   1.55 100.77) =  99.997%  kept
          HN    THR   23 - HZ3   TRP   27   9.78 +/- 0.60   1.630% *  0.0782% (0.61   1.0   0.02   1.28) =   0.001%
          QE    PHE   95 - HZ3   TRP   27  12.25 +/- 2.05   1.081% *  0.0834% (0.65   1.0   0.02   0.02) =   0.001%
          HN    LYS+  81 - HZ3   TRP   27  13.34 +/- 4.23   1.364% *  0.0287% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  12.28 +/- 1.87   1.186% *  0.0321% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  18.79 +/- 1.74   0.245% *  0.1263% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 0.9, support = 1.04, residual support = 6.38:
        T QG1   VAL   43 - HH2   TRP   27   3.76 +/- 3.25  44.807% * 78.6878% (0.92 10.00   0.98   5.27) =  91.488%  kept
          HG    LEU   31 - HH2   TRP   27   4.76 +/- 1.03  21.010% * 10.2202% (0.65  1.00   1.81  20.58) =   5.572%  kept
          QD2   LEU   73 - HH2   TRP   27   5.76 +/- 1.67   8.954% *  8.3399% (0.49  1.00   1.97  21.30) =   1.938%  kept
          QG1   VAL   41 - HH2   TRP   27   5.78 +/- 1.41  15.815% *  2.3972% (1.00  1.00   0.28   0.02) =   0.984%  kept
          QG2   THR   46 - HH2   TRP   27  10.03 +/- 1.96   3.517% *  0.1058% (0.61  1.00   0.02   0.02) =   0.010%
          QG2   VAL   18 - HH2   TRP   27  10.81 +/- 1.42   1.223% *  0.1266% (0.73  1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HH2   TRP   27  10.08 +/- 1.17   1.625% *  0.0485% (0.28  1.00   0.02   0.02) =   0.002%
          QD2   LEU  104 - HH2   TRP   27   9.81 +/- 3.00   2.494% *  0.0305% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   ILE   56 - HH2   TRP   27  14.22 +/- 1.32   0.556% *  0.0435% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 0.889, support = 2.33, residual support = 6.76:
        T QG1   VAL   43 - HZ3   TRP   27   4.73 +/- 3.27  26.605% * 88.3137% (0.92 10.00   2.40   5.27) =  89.624%  kept
          HG    LEU   31 - HZ3   TRP   27   4.47 +/- 1.20  22.540% *  5.9068% (0.65  1.00   1.91  20.58) =   5.079%  kept
          QD2   LEU   73 - HZ3   TRP   27   4.07 +/- 2.02  27.897% *  4.3969% (0.49  1.00   1.89  21.30) =   4.679%  kept
          QG1   VAL   41 - HZ3   TRP   27   5.61 +/- 1.67  13.314% *  1.1878% (1.00  1.00   0.25   0.02) =   0.603%  kept
          QG2   VAL   18 - HZ3   TRP   27   9.05 +/- 1.40   2.174% *  0.0695% (0.73  1.00   0.02   0.02) =   0.006%
          QG2   THR   46 - HZ3   TRP   27   9.93 +/- 1.75   1.962% *  0.0580% (0.61  1.00   0.02   0.02) =   0.004%
          QD1   ILE   19 - HZ3   TRP   27   8.15 +/- 1.21   2.928% *  0.0266% (0.28  1.00   0.02   0.02) =   0.003%
          QD2   LEU  104 - HZ3   TRP   27  10.66 +/- 2.80   1.998% *  0.0168% (0.18  1.00   0.02   0.02) =   0.001%
          QD1   ILE   56 - HZ3   TRP   27  13.92 +/- 1.43   0.582% *  0.0239% (0.25  1.00   0.02   0.02) =   0.001%
    Distance limit 4.48 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 = 0.882, support = 3.07, residual support = 19.8:
        T QD1   LEU   73 - HZ3   TRP   27   4.04 +/- 1.55  27.771% * 80.8064% (0.90 10.00   3.27  21.30) =  91.656%  kept
        T QD1   LEU   63 - HZ3   TRP   27   9.84 +/- 2.66   9.844% * 11.5566% (0.90 10.00   0.29   0.02) =   4.646%  kept
          QD2   LEU   80 - HZ3   TRP   27   7.17 +/- 3.89  13.644% *  4.9647% (0.53  1.00   2.09   9.37) =   2.767%  kept
          QG2   VAL   41 - HZ3   TRP   27   4.69 +/- 2.09  21.439% *  0.4813% (0.28  1.00   0.38   0.02) =   0.421%  kept
          QD2   LEU   63 - HZ3   TRP   27   9.22 +/- 2.39   5.521% *  1.2723% (0.84  1.00   0.34   0.02) =   0.287%  kept
          QD1   LEU   80 - HZ3   TRP   27   8.33 +/- 4.17   7.087% *  0.5757% (0.15  1.00   0.83   9.37) =   0.167%  kept
        T QD1   LEU  104 - HZ3   TRP   27  11.25 +/- 2.46   4.218% *  0.2781% (0.31 10.00   0.02   0.02) =   0.048%
          QD2   LEU   98 - HZ3   TRP   27   7.04 +/- 3.11   9.311% *  0.0139% (0.15  1.00   0.02   0.02) =   0.005%
          QD2   LEU  115 - HZ3   TRP   27  13.28 +/- 1.80   1.165% *  0.0510% (0.57  1.00   0.02   0.02) =   0.002%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 3.13, residual support = 20.5:
        T QD2   LEU   31 - HZ3   TRP   27   3.08 +/- 0.69  76.265% * 98.9625% (0.76 10.00   3.14  20.58) =  99.758%  kept
          QG2   VAL   83 - HZ3   TRP   27   7.98 +/- 3.38  19.233% *  0.9251% (1.00  1.00   0.14   0.68) =   0.235%  kept
          QD1   ILE   89 - HZ3   TRP   27   9.54 +/- 2.57   4.502% *  0.1123% (0.87  1.00   0.02   0.02) =   0.007%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.768, support = 3.28, residual support = 20.2:
          QD2   LEU   31 - HH2   TRP   27   3.41 +/- 0.58  68.544% * 94.0973% (0.76   3.34  20.58) =  98.009%  kept
          QG2   VAL   83 - HH2   TRP   27   7.04 +/- 3.52  23.992% *  5.2636% (1.00   0.14   0.68) =   1.919%  kept
          QD1   ILE   89 - HH2   TRP   27   8.38 +/- 2.73   7.464% *  0.6391% (0.87   0.02   0.02) =   0.072%
    Distance limit 4.30 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 = 0.871, support = 1.89, residual support = 14.4:
          QD1   LEU   73 - HH2   TRP   27   5.54 +/- 1.23  13.069% * 53.3873% (1.00   2.30  21.30) =  50.727%  kept
          QD2   LEU   80 - HH2   TRP   27   7.09 +/- 3.88  16.347% * 31.9680% (0.76   1.80   9.37) =  37.994%  kept
          QD1   LEU   63 - HH2   TRP   27  10.44 +/- 2.80  10.174% *  7.8321% (1.00   0.34   0.02) =   5.793%  kept
          QG2   VAL   41 - HH2   TRP   27   4.78 +/- 1.97  27.642% *  1.0903% (0.14   0.35   0.02) =   2.191%  kept
          QD2   LEU   63 - HH2   TRP   27   9.94 +/- 2.65   6.070% *  4.0275% (0.61   0.29   0.02) =   1.777%  kept
          QG1   VAL   83 - HH2   TRP   27   6.82 +/- 3.64  17.017% *  1.0787% (0.15   0.30   0.68) =   1.335%  kept
          QD1   LEU  104 - HH2   TRP   27  10.50 +/- 2.81   8.618% *  0.2443% (0.53   0.02   0.02) =   0.153%  kept
          QD2   LEU  115 - HH2   TRP   27  13.20 +/- 1.70   1.063% *  0.3718% (0.80   0.02   0.02) =   0.029%
    Distance limit 4.89 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 = 1.28, residual support = 100.8:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.28 100.77) = 100.000%  kept
    Distance limit 3.70 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 = 0.903, support = 1.98, residual support = 33.9:
          HD21  ASN   28 - HZ2   TRP   27   5.09 +/- 0.81  39.162% * 74.4973% (0.87   2.55  47.09) =  68.158%  kept
          HZ2   TRP   87 - HZ2   TRP   27   6.40 +/- 5.85  54.991% * 24.7542% (0.98   0.75   5.71) =  31.802%  kept
          QE    PHE   60 - HZ2   TRP   27  12.72 +/- 2.63   2.618% *  0.4626% (0.69   0.02   0.02) =   0.028%
          HN    LEU   63 - HZ2   TRP   27  15.40 +/- 2.46   2.677% *  0.1679% (0.25   0.02   0.02) =   0.011%
          HN    ILE   56 - HZ2   TRP   27  20.13 +/- 2.23   0.552% *  0.1179% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.72 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 = 1.44, residual support = 100.8:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.44 100.77) = 100.000%  kept
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 5.71:
          HE1   TRP   87 - HZ2   TRP   27   6.79 +/- 5.24 100.000% *100.0000% (0.92   2.00   5.71) = 100.000%  kept
    Distance limit 4.57 A violated in 6 structures by 2.97 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.699, support = 2.58, residual support = 12.7:
        T QG2   VAL   43 - HZ2   TRP   27   4.42 +/- 3.15  51.681% * 49.9615% (0.90 10.00   1.08   5.27) =  51.643%  kept
        T QD2   LEU   31 - HZ2   TRP   27   3.58 +/- 0.66  48.319% * 50.0385% (0.49 10.00   4.18  20.58) =  48.357%  kept
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.901, support = 2.94, residual support = 13.0:
        T QD1   ILE   89 - QD    PHE   45   2.68 +/- 0.64  72.227% * 87.3149% (0.90 10.00   2.95  13.52) =  95.562%  kept
          QG2   VAL   83 - QD    PHE   45   5.03 +/- 1.25  23.194% * 12.6144% (1.00  1.00   2.59   2.12) =   4.433%  kept
          QD2   LEU   31 - QD    PHE   45   9.38 +/- 2.11   4.579% *  0.0707% (0.73  1.00   0.02   0.02) =   0.005%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.97, support = 2.89, residual support = 9.56:
          QD1   ILE   89 - QE    PHE   45   2.58 +/- 0.42  55.708% * 57.9308% (0.97   3.21  13.52) =  65.304%  kept
          QG2   VAL   83 - QE    PHE   45   3.85 +/- 1.94  40.960% * 41.8422% (0.98   2.28   2.12) =  34.680%  kept
          QD2   LEU   31 - QE    PHE   45   8.44 +/- 2.51   3.332% *  0.2270% (0.61   0.02   0.02) =   0.015%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.1, residual support = 17.7:
        T QG1   VAL   75 - QD    PHE   45   3.29 +/- 2.08  79.292% * 99.9034% (1.00 10.00   3.10  17.68) =  99.975%  kept
          QD1   LEU  115 - QD    PHE   45   7.67 +/- 1.33  20.708% *  0.0966% (0.97  1.00   0.02   0.02) =   0.025%
    Distance limit 4.18 A violated in 2 structures by 0.46 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.989, support = 2.14, residual support = 17.6:
        T HB    VAL   75 - QD    PHE   45   5.21 +/- 2.28  48.643% * 98.5406% (0.99 10.00   2.14  17.68) =  99.744%  kept
          HG3   LYS+  74 - QD    PHE   45   9.59 +/- 1.70   8.275% *  1.2390% (0.38  1.00   0.66   0.02) =   0.213%  kept
          QD2   LEU   40 - QD    PHE   45  10.30 +/- 1.09  10.344% *  0.0643% (0.65  1.00   0.02   0.02) =   0.014%
          QG2   ILE  103 - QD    PHE   45   8.92 +/- 1.03  12.762% *  0.0484% (0.49  1.00   0.02   0.02) =   0.013%
          QD1   LEU   67 - QD    PHE   45   9.77 +/- 1.82   7.555% *  0.0603% (0.61  1.00   0.02   0.02) =   0.009%
          QD1   ILE  119 - QD    PHE   45  10.76 +/- 2.17   7.193% *  0.0339% (0.34  1.00   0.02   0.02) =   0.005%
          HB2   LEU  104 - QD    PHE   45  12.45 +/- 2.08   5.228% *  0.0135% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 4 structures by 0.96 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.594, support = 3.29, residual support = 11.3:
        T QG2   THR   77 - QD    PHE   45   3.62 +/- 2.10  49.341% * 72.1157% (0.65 10.00   3.15  10.43) =  85.624%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.67 +/- 0.28  24.124% * 22.0613% (0.20 10.00   4.49  18.49) =  12.807%  kept
          QB    ALA   88 - QD    PHE   45   7.42 +/- 1.31  11.899% *  5.4217% (0.97  1.00   1.01   0.02) =   1.552%  kept
          HB3   LEU   80 - QD    PHE   45   6.71 +/- 1.78   9.153% *  0.0418% (0.38  1.00   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - QD    PHE   45  13.27 +/- 2.22   1.375% *  0.0676% (0.61  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - QD    PHE   45  13.34 +/- 2.73   1.432% *  0.0587% (0.53  1.00   0.02   0.02) =   0.002%
          HB2   LEU   63 - QD    PHE   45  10.55 +/- 2.67   1.871% *  0.0310% (0.28  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD    PHE   45  16.12 +/- 0.93   0.521% *  0.0967% (0.87  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    PHE   45  19.96 +/- 1.01   0.283% *  0.1055% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.729, support = 0.748, residual support = 25.1:
          QG2   THR   94 - QD    PHE   45   3.09 +/- 0.75  64.135% * 67.1270% (0.80   0.75  27.16) =  85.217%  kept
          HG12  ILE   89 - QD    PHE   45   4.62 +/- 0.81  28.307% * 25.8744% (0.31   0.75  13.52) =  14.498%  kept
          HD2   LYS+ 112 - QD    PHE   45   9.97 +/- 2.08   3.293% *  2.2355% (1.00   0.02   0.02) =   0.146%  kept
          HB3   LEU   71 - QD    PHE   45  13.44 +/- 2.60   1.581% *  2.2157% (0.99   0.02   0.02) =   0.069%
          HB3   LYS+ 112 - QD    PHE   45  11.64 +/- 1.74   1.521% *  1.7084% (0.76   0.02   0.02) =   0.051%
          HG3   LYS+ 111 - QD    PHE   45  13.13 +/- 2.11   1.162% *  0.8390% (0.38   0.02   0.02) =   0.019%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.49, residual support = 17.7:
        T QG1   VAL   75 - QE    PHE   45   3.82 +/- 1.98  80.266% * 99.9191% (0.90 10.00   2.49  17.68) =  99.980%  kept
          QD1   LEU  115 - QE    PHE   45   8.80 +/- 1.48  19.734% *  0.0809% (0.73  1.00   0.02   0.02) =   0.020%
    Distance limit 4.53 A violated in 1 structures by 0.38 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.6, support = 0.73, residual support = 13.2:
          HB    ILE   89 - QE    PHE   45   3.85 +/- 1.08  36.750% * 94.4406% (0.61   0.75  13.52) =  97.307%  kept
          HB    VAL   43 - QE    PHE   45   2.93 +/- 1.06  58.325% *  1.5584% (0.38   0.02   0.02) =   2.548%  kept
          QD    LYS+  81 - QE    PHE   45   9.54 +/- 1.73   2.250% *  1.2816% (0.31   0.02   0.02) =   0.081%
          QG1   ILE   56 - QE    PHE   45  11.75 +/- 1.74   1.248% *  0.6407% (0.15   0.02   0.02) =   0.022%
          HB2   LYS+  99 - QE    PHE   45  13.58 +/- 1.21   0.684% *  1.1545% (0.28   0.02   0.02) =   0.022%
          HB3   LYS+  99 - QE    PHE   45  13.12 +/- 1.13   0.744% *  0.9244% (0.22   0.02   0.02) =   0.019%
    Distance limit 4.60 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 = 0.447, support = 1.99, residual support = 8.41:
          HB3   MET   96 - QE    PHE   45   3.38 +/- 1.44  87.234% * 93.6194% (0.45   2.00   8.43) =  99.791%  kept
          HB2   LEU   40 - QE    PHE   45  13.23 +/- 0.92   2.990% *  1.7449% (0.84   0.02   0.02) =   0.064%
          HB    VAL   18 - QE    PHE   45  13.69 +/- 4.27   3.563% *  1.4350% (0.69   0.02   0.02) =   0.062%
          HB3   ARG+  54 - QE    PHE   45  16.09 +/- 2.57   1.962% *  1.9284% (0.92   0.02   0.02) =   0.046%
          HB2   LEU   67 - QE    PHE   45  13.27 +/- 1.81   2.805% *  0.8588% (0.41   0.02   0.02) =   0.029%
          HB3   GLU-  14 - QE    PHE   45  21.11 +/- 3.94   1.447% *  0.4134% (0.20   0.02   0.02) =   0.007%
    Distance limit 4.66 A violated in 1 structures by 0.22 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.251, support = 1.89, residual support = 7.94:
        T HB2   MET   96 - QE    PHE   45   3.99 +/- 0.92  52.072% * 79.7262% (0.22 10.00   1.94   8.43) =  93.641%  kept
          HB3   ASP-  76 - QE    PHE   45   8.65 +/- 2.81  15.266% * 16.3729% (0.73  1.00   1.22   0.94) =   5.638%  kept
          QG    GLN   90 - QE    PHE   45   7.29 +/- 0.93  14.372% *  1.7439% (0.22  1.00   0.42   0.02) =   0.565%  kept
        T HB3   PHE   72 - QE    PHE   45  10.16 +/- 1.72   4.015% *  0.6463% (0.18 10.00   0.02   0.02) =   0.059%
          HG3   MET   92 - QE    PHE   45   9.95 +/- 1.44   6.357% *  0.3562% (0.97  1.00   0.02   0.02) =   0.051%
          HB2   ASP- 105 - QE    PHE   45  10.54 +/- 2.05   2.953% *  0.3407% (0.92  1.00   0.02   0.02) =   0.023%
          HB2   GLU-  29 - QE    PHE   45  15.72 +/- 3.26   1.540% *  0.3310% (0.90  1.00   0.02   0.02) =   0.011%
          HG12  ILE  119 - QE    PHE   45  13.64 +/- 2.29   1.565% *  0.1942% (0.53  1.00   0.02   0.02) =   0.007%
          HG2   GLU- 100 - QE    PHE   45  16.39 +/- 1.42   0.790% *  0.2387% (0.65  1.00   0.02   0.02) =   0.004%
          QG    GLU-  14 - QE    PHE   45  18.55 +/- 3.85   1.068% *  0.0499% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.1:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  90.166% * 99.8696% (0.53  10.0 10.00   1.00  80.15) =  99.986%  kept
          HZ3   TRP   27 - QE    PHE   45   7.83 +/- 3.24   9.834% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.014%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 80.2:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  98.982% * 99.6976% (0.65  10.0   3.62  80.15) =  99.999%  kept
          HD2   HIS  122 - QE    PHE   45  14.57 +/- 2.66   0.490% *  0.1382% (0.90   1.0   0.02   0.02) =   0.001%
          HE22  GLN  116 - QE    PHE   45  17.19 +/- 2.36   0.337% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  19.72 +/- 3.91   0.191% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 2.0, residual support = 8.41:
          HB3   MET   96 - QD    PHE   45   4.64 +/- 1.01  79.095% * 96.5062% (0.80   2.00   8.43) =  99.843%  kept
          HB2   LEU   40 - QD    PHE   45  14.05 +/- 0.72   3.702% *  1.2059% (1.00   0.02   0.02) =   0.058%
          HB3   ARG+  54 - QD    PHE   45  14.23 +/- 2.35   4.134% *  0.7314% (0.61   0.02   0.02) =   0.040%
          HB    VAL   18 - QD    PHE   45  13.15 +/- 4.26   5.509% *  0.4113% (0.34   0.02   0.02) =   0.030%
          HB3   GLU-  14 - QD    PHE   45  21.13 +/- 3.55   1.503% *  0.5870% (0.49   0.02   0.02) =   0.012%
          HB2   LEU   67 - QD    PHE   45  13.08 +/- 2.07   4.603% *  0.1861% (0.15   0.02   0.02) =   0.011%
          HG3   MET   11 - QD    PHE   45  25.46 +/- 5.80   1.454% *  0.3722% (0.31   0.02   0.02) =   0.007%
    Distance limit 4.85 A violated in 2 structures by 0.34 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.882, support = 2.04, residual support = 6.22:
          HB2   MET   96 - QD    PHE   45   5.33 +/- 0.68  45.205% * 50.7278% (0.87   2.12   8.43) =  70.500%  kept
          HB3   ASP-  76 - QD    PHE   45   8.07 +/- 2.64  20.066% * 47.4089% (0.92   1.87   0.94) =  29.246%  kept
          HG3   MET   92 - QD    PHE   45   8.11 +/- 1.24  16.212% *  0.1879% (0.34   0.02   0.02) =   0.094%
          HB2   ASP- 105 - QD    PHE   45  11.06 +/- 1.51   5.527% *  0.3999% (0.73   0.02   0.02) =   0.068%
          HB    VAL   70 - QD    PHE   45  11.81 +/- 1.12   4.730% *  0.2469% (0.45   0.02   0.02) =   0.036%
          HG2   GLU- 100 - QD    PHE   45  17.78 +/- 1.16   1.278% *  0.5315% (0.97   0.02   0.02) =   0.021%
          QG    GLN   17 - QD    PHE   45  15.51 +/- 3.46   2.267% *  0.2067% (0.38   0.02   0.02) =   0.014%
          HB2   GLU-  25 - QD    PHE   45  16.08 +/- 3.00   2.556% *  0.1531% (0.28   0.02   0.02) =   0.012%
          HB2   GLU-  29 - QD    PHE   45  16.59 +/- 2.77   2.159% *  0.1373% (0.25   0.02   0.02) =   0.009%
    Distance limit 5.10 A violated in 1 structures by 0.28 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.05, residual support = 80.1:
      O T HB3   PHE   45 - QD    PHE   45   2.49 +/- 0.18  89.243% * 99.5701% (0.80  10.0 10.00   5.05  80.15) =  99.990%  kept
          QE    LYS+ 112 - QD    PHE   45   8.85 +/- 1.70   3.858% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP-  86 - QD    PHE   45   9.17 +/- 1.01   2.062% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL  107 - QD    PHE   45   8.38 +/- 1.16   2.916% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP-  62 - QD    PHE   45  12.82 +/- 3.00   1.531% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QD    PHE   45  16.97 +/- 2.88   0.390% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.34, residual support = 80.2:
      O T HB2   PHE   45 - QD    PHE   45   2.49 +/- 0.18  97.101% * 99.8423% (0.97  10.0 10.00   4.34  80.15) =  99.998%  kept
          QE    LYS+ 111 - QD    PHE   45  12.49 +/- 2.35   1.300% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - QD    PHE   45  11.98 +/- 3.14   1.599% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.94, residual support = 27.0:
          HB    THR   94 - QD    PHE   45   2.85 +/- 0.63  81.435% * 83.6350% (0.69   2.96  27.16) =  99.231%  kept
          QB    SER   85 - QD    PHE   45   9.09 +/- 0.75   3.771% *  9.2339% (0.95   0.24   0.02) =   0.507%  kept
          HA    ALA   88 - QD    PHE   45   8.39 +/- 1.02   4.951% *  2.5995% (0.15   0.41   0.02) =   0.188%  kept
          QB    SER   48 - QD    PHE   45   9.87 +/- 0.96   2.847% *  0.6594% (0.80   0.02   0.02) =   0.027%
          HA    LYS+  65 - QD    PHE   45  13.12 +/- 3.55   1.623% *  0.7385% (0.90   0.02   0.02) =   0.017%
          HA    ALA  120 - QD    PHE   45  17.49 +/- 1.79   0.486% *  0.7947% (0.97   0.02   0.02) =   0.006%
          HD2   PRO   52 - QD    PHE   45  12.82 +/- 1.76   1.408% *  0.2542% (0.31   0.02   0.02) =   0.005%
          HA2   GLY   51 - QD    PHE   45  14.49 +/- 1.14   0.792% *  0.4333% (0.53   0.02   0.02) =   0.005%
          HA2   GLY   16 - QD    PHE   45  19.61 +/- 3.53   0.393% *  0.7790% (0.95   0.02   0.02) =   0.004%
          HA    LYS+ 121 - QD    PHE   45  17.47 +/- 2.04   0.534% *  0.4995% (0.61   0.02   0.02) =   0.004%
          QB    SER  117 - QD    PHE   45  13.29 +/- 1.09   1.066% *  0.2290% (0.28   0.02   0.02) =   0.004%
          HA    GLN   32 - QD    PHE   45  16.74 +/- 2.50   0.692% *  0.1442% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.337, support = 4.23, residual support = 17.9:
          HA    ASP-  44 - QD    PHE   45   2.96 +/- 0.48  65.205% * 74.3107% (0.34   4.44  18.49) =  94.164%  kept
          HB    THR   77 - QD    PHE   45   5.49 +/- 2.26  22.337% * 11.9094% (0.28   0.87  10.43) =   5.170%  kept
          HA    SER   85 - QD    PHE   45   9.04 +/- 0.99   3.210% *  9.3625% (0.28   0.69   0.02) =   0.584%  kept
          HA    ASP-  86 - QD    PHE   45  10.23 +/- 0.81   2.066% *  0.9610% (0.98   0.02   0.02) =   0.039%
          HA    LEU  104 - QD    PHE   45  13.30 +/- 1.73   0.935% *  0.8189% (0.84   0.02   0.02) =   0.015%
          HA    TRP   87 - QD    PHE   45   8.29 +/- 0.81   4.111% *  0.1513% (0.15   0.02   0.02) =   0.012%
          HA    GLU-  14 - QD    PHE   45  20.92 +/- 3.31   0.293% *  0.9782% (1.00   0.02   0.02) =   0.006%
          HA    ILE  103 - QD    PHE   45  11.41 +/- 1.26   1.356% *  0.1940% (0.20   0.02   0.02) =   0.005%
          HA    ALA   12 - QD    PHE   45  24.17 +/- 4.42   0.223% *  0.9462% (0.97   0.02   0.02) =   0.004%
          HA    MET   11 - QD    PHE   45  25.11 +/- 5.63   0.265% *  0.3680% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 80.0:
          HA    PHE   45 - QD    PHE   45   3.05 +/- 0.46  79.074% * 96.8478% (0.25   5.05  80.15) =  99.863%  kept
          HA    MET   92 - QD    PHE   45   6.09 +/- 1.52  18.182% *  0.3834% (0.25   0.02   0.02) =   0.091%
          HA    VAL   41 - QD    PHE   45  10.64 +/- 0.43   2.122% *  1.2312% (0.80   0.02   0.02) =   0.034%
          HA    HIS  122 - QD    PHE   45  17.10 +/- 2.33   0.622% *  1.5376% (1.00   0.02   0.02) =   0.012%
    Distance limit 4.87 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 = 5.5, residual support = 71.7:
          HN    PHE   45 - QD    PHE   45   2.01 +/- 0.47  81.535% * 56.4242% (0.45   5.68  80.15) =  86.246%  kept
          HN    ASP-  44 - QD    PHE   45   4.14 +/- 0.51  17.032% * 43.0557% (0.45   4.33  18.49) =  13.747%  kept
          HN    ALA  110 - QD    PHE   45  11.52 +/- 2.49   0.758% *  0.3044% (0.69   0.02   0.02) =   0.004%
          HN    GLU-  25 - QD    PHE   45  13.75 +/- 3.09   0.676% *  0.2157% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.2:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  98.387% * 99.7606% (0.98  10.0   1.00  80.15) =  99.997%  kept
          QD    PHE   72 - HZ    PHE   45   9.73 +/- 1.80   1.416% *  0.1766% (0.87   1.0   0.02   0.02) =   0.003%
          HD22  ASN   69 - HZ    PHE   45  18.56 +/- 2.28   0.198% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 104 (6.61, 7.35, 128.88 ppm):
    3 chemical-shift based assignments, quality = 0.625, support = 4.41, residual support = 52.5:
          HN    TRP   49 - HD1   TRP   49   2.66 +/- 0.76  73.117% * 33.6440% (0.38   4.91  85.92) =  58.639%  kept
          HN    CYS   50 - HD1   TRP   49   4.17 +/- 1.14  26.233% * 66.1347% (0.98   3.70   5.15) =  41.357%  kept
          HN    VAL   83 - HD1   TRP   49  17.96 +/- 3.75   0.650% *  0.2213% (0.61   0.02   0.02) =   0.003%
    Distance limit 3.94 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 = 2.32, residual support = 85.9:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.32  85.92) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 85.9:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.175% * 99.8040% (0.41  10.0   1.00  85.92) =  99.999%  kept
          HE21  GLN   30 - HZ2   TRP   49  23.04 +/- 4.92   0.329% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   97 - HZ2   TRP   49  16.47 +/- 2.81   0.495% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 85.9:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.92) = 100.000%  kept
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 85.9:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00  99.256% * 99.8708% (1.00  10.0   1.00  85.92) =  99.999%  kept
          HN    LYS+ 121 - HH2   TRP   49  19.44 +/- 4.93   0.744% *  0.1292% (0.65   1.0   0.02   0.02) =   0.001%
    Distance limit 3.52 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 = 0.897, support = 1.47, residual support = 8.92:
          QD1   ILE   89 - HZ    PHE   45   3.26 +/- 1.07  51.212% * 55.7784% (0.84   1.70  13.52) =  59.722%  kept
          QG2   VAL   83 - HZ    PHE   45   4.19 +/- 2.50  44.124% * 43.5942% (0.99   1.12   2.12) =  40.217%  kept
          QD2   LEU   31 - HZ    PHE   45   9.31 +/- 3.02   4.664% *  0.6275% (0.80   0.02   0.02) =   0.061%
    Distance limit 4.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.76, residual support = 85.9:
      O T HB2   TRP   49 - HD1   TRP   49   3.87 +/- 0.11  85.006% * 99.5547% (0.65  10.0 10.00   4.76  85.92) =  99.988%  kept
          HA    VAL   75 - HD1   TRP   49  14.48 +/- 3.06   2.841% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA2   GLY  109 - HD1   TRP   49  16.79 +/- 4.69   5.074% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA   84 - HD1   TRP   49  15.33 +/- 2.81   3.033% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          HA    ILE  119 - HD1   TRP   49  18.92 +/- 3.81   1.281% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - HD1   TRP   49  15.56 +/- 2.84   2.008% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR  118 - HD1   TRP   49  20.37 +/- 3.27   0.756% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.55 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 = 4.75, residual support = 85.9:
      O T HB3   TRP   49 - HD1   TRP   49   2.92 +/- 0.17  98.751% * 99.9191% (0.90  10.0 10.00   4.75  85.92) =  99.999%  kept
          HB3   PHE   59 - HD1   TRP   49  14.74 +/- 2.81   1.249% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.817, support = 3.62, residual support = 14.6:
          QB    ALA   47 - HD1   TRP   49   3.27 +/- 1.27  68.025% * 88.2516% (0.84   3.72  15.14) =  96.157%  kept
          HG2   LYS+ 112 - HD1   TRP   49  10.33 +/- 4.29  21.366% * 11.0820% (0.38   1.04   0.02) =   3.793%  kept
          QB    ALA   64 - HD1   TRP   49  13.62 +/- 3.50   7.648% *  0.2544% (0.45   0.02   0.02) =   0.031%
          QG1   VAL   42 - HD1   TRP   49  14.29 +/- 2.19   2.962% *  0.4120% (0.73   0.02   0.02) =   0.020%
    Distance limit 4.60 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 = 0.864, support = 0.489, residual support = 1.17:
        T HG    LEU  123 - HZ2   TRP   49  19.88 +/- 7.03  15.335% * 79.1633% (0.87 10.00   0.34   0.02) =  62.114%  kept
          HB3   PRO   52 - HZ2   TRP   49   7.12 +/- 3.33  41.329% * 17.6615% (0.87  1.00   0.75   3.11) =  37.348%  kept
          HG2   ARG+  54 - HZ2   TRP   49  10.79 +/- 1.54   8.690% *  0.3730% (0.69  1.00   0.02   0.02) =   0.166%  kept
          QB    LYS+  66 - HZ2   TRP   49  16.15 +/- 5.76  18.719% *  0.1510% (0.28  1.00   0.02   0.02) =   0.145%  kept
          HG3   PRO   68 - HZ2   TRP   49  21.65 +/- 5.97   2.508% *  0.4149% (0.76  1.00   0.02   0.02) =   0.053%
          HB3   GLN   90 - HZ2   TRP   49  15.60 +/- 4.02   4.026% *  0.2434% (0.45  1.00   0.02   0.02) =   0.050%
          QB    LYS+  81 - HZ2   TRP   49  17.20 +/- 3.63   2.796% *  0.2038% (0.38  1.00   0.02   0.02) =   0.029%
          HB3   ASP- 105 - HZ2   TRP   49  19.79 +/- 2.46   1.157% *  0.3512% (0.65  1.00   0.02   0.02) =   0.021%
          QB    LYS+ 106 - HZ2   TRP   49  16.57 +/- 1.83   1.853% *  0.1852% (0.34  1.00   0.02   0.02) =   0.018%
          HB    VAL   41 - HZ2   TRP   49  21.79 +/- 3.35   1.246% *  0.2434% (0.45  1.00   0.02   0.02) =   0.016%
          HG12  ILE  103 - HZ2   TRP   49  21.42 +/- 2.23   0.905% *  0.3293% (0.61  1.00   0.02   0.02) =   0.015%
          HB    ILE  103 - HZ2   TRP   49  22.81 +/- 2.03   0.726% *  0.3943% (0.73  1.00   0.02   0.02) =   0.015%
          QB    LYS+  33 - HZ2   TRP   49  25.65 +/- 3.95   0.710% *  0.2857% (0.53  1.00   0.02   0.02) =   0.010%
    Distance limit 4.53 A violated in 3 structures by 0.89 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.671, support = 1.91, residual support = 14.6:
          QB    ALA   47 - HZ2   TRP   49   5.12 +/- 1.87  44.635% * 94.0261% (0.69   1.97  15.14) =  96.174%  kept
          HG2   LYS+ 112 - HZ2   TRP   49   8.28 +/- 4.40  34.372% *  4.3465% (0.25   0.25   0.02) =   3.424%  kept
          QB    ALA   64 - HZ2   TRP   49  13.44 +/- 4.11  18.637% *  0.8417% (0.61   0.02   0.02) =   0.359%  kept
          QG1   VAL   42 - HZ2   TRP   49  13.74 +/- 2.89   2.356% *  0.7857% (0.57   0.02   0.02) =   0.042%
    Distance limit 4.46 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 = 0.355, support = 0.719, residual support = 2.98:
          HG2   PRO   52 - HH2   TRP   49   5.53 +/- 3.73  46.907% * 73.0242% (0.34   0.75   3.11) =  95.821%  kept
          HG2   MET   92 - HH2   TRP   49  11.59 +/- 4.20   8.248% *  4.9520% (0.87   0.02   0.02) =   1.143%  kept
          QB    MET   11 - HH2   TRP   49  29.10 +/- 7.61   8.575% *  3.9214% (0.69   0.02   0.02) =   0.941%  kept
          QG    GLU- 114 - HH2   TRP   49  12.73 +/- 2.69   6.230% *  4.5712% (0.80   0.02   0.02) =   0.797%  kept
          HB2   GLU-  79 - HH2   TRP   49  19.37 +/- 3.66   3.680% *  4.1454% (0.73   0.02   0.02) =   0.427%  kept
          HB2   ASP-  44 - HH2   TRP   49  14.13 +/- 2.52  14.858% *  0.9998% (0.18   0.02   0.02) =   0.416%  kept
          QG    GLU-  15 - HH2   TRP   49  24.39 +/- 5.57   5.283% *  1.4235% (0.25   0.02   0.02) =   0.210%  kept
          QG    GLU-  14 - HH2   TRP   49  24.98 +/- 5.30   4.506% *  0.8808% (0.15   0.02   0.02) =   0.111%  kept
          HG3   GLU-  36 - HH2   TRP   49  34.23 +/- 4.01   0.761% *  4.9520% (0.87   0.02   0.02) =   0.105%  kept
          HG3   GLU-  25 - HH2   TRP   49  28.88 +/- 5.13   0.952% *  1.1298% (0.20   0.02   0.02) =   0.030%
    Distance limit 4.82 A violated in 4 structures by 0.93 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.865, support = 1.87, residual support = 2.85:
          HB3   PRO   52 - HH2   TRP   49   6.02 +/- 3.86  48.282% * 76.5299% (0.87   2.00   3.11) =  91.724%  kept
          HG    LEU  123 - HH2   TRP   49  19.69 +/- 7.27  17.553% * 18.3107% (0.87   0.48   0.02) =   7.979%  kept
          QB    LYS+  66 - HH2   TRP   49  16.15 +/- 6.28  21.478% *  0.2453% (0.28   0.02   0.02) =   0.131%  kept
          HG2   ARG+  54 - HH2   TRP   49   9.87 +/- 1.84   5.130% *  0.6060% (0.69   0.02   0.02) =   0.077%
          HG3   PRO   68 - HH2   TRP   49  21.86 +/- 6.65   1.863% *  0.6742% (0.76   0.02   0.02) =   0.031%
          HB3   GLN   90 - HH2   TRP   49  17.41 +/- 4.13   1.537% *  0.3955% (0.45   0.02   0.02) =   0.015%
          QB    LYS+ 106 - HH2   TRP   49  17.63 +/- 2.08   1.073% *  0.3009% (0.34   0.02   0.02) =   0.008%
          QB    LYS+  81 - HH2   TRP   49  18.89 +/- 3.41   0.934% *  0.3311% (0.38   0.02   0.02) =   0.008%
          HB3   ASP- 105 - HH2   TRP   49  20.77 +/- 2.38   0.533% *  0.5707% (0.65   0.02   0.02) =   0.008%
          HG12  ILE  103 - HH2   TRP   49  22.73 +/- 2.59   0.415% *  0.5351% (0.61   0.02   0.02) =   0.006%
          HB    ILE  103 - HH2   TRP   49  24.11 +/- 2.38   0.346% *  0.6407% (0.73   0.02   0.02) =   0.006%
          HB    VAL   41 - HH2   TRP   49  23.04 +/- 3.31   0.526% *  0.3955% (0.45   0.02   0.02) =   0.005%
          QB    LYS+  33 - HH2   TRP   49  26.66 +/- 3.84   0.331% *  0.4642% (0.53   0.02   0.02) =   0.004%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.254, support = 2.39, residual support = 21.2:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.01  88.966% * 72.2193% (0.25  10.0   2.39  21.40) =  98.574%  kept
          HD2   ARG+  54 - QD    PHE   55   6.89 +/- 0.90   3.345% * 25.4605% (0.61   1.0   2.90   4.18) =   1.307%  kept
          HB3   CYS   53 - QD    PHE   55   7.15 +/- 1.08   3.460% *  2.1320% (0.53   1.0   0.28   0.02) =   0.113%  kept
          HD3   PRO   93 - QD    PHE   55  11.30 +/- 4.54   3.954% *  0.0988% (0.34   1.0   0.02   0.02) =   0.006%
          HD3   PRO   68 - QD    PHE   55  16.87 +/- 2.77   0.275% *  0.0894% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.835, support = 2.19, residual support = 21.4:
          HA    PHE   55 - QD    PHE   55   3.21 +/- 0.30  91.712% * 94.2533% (0.84   2.20  21.40) =  99.815%  kept
          HA    ALA  110 - QD    PHE   55  12.21 +/- 4.18   3.615% *  3.9190% (1.00   0.08   0.02) =   0.164%  kept
          HA    GLN   90 - QD    PHE   55  18.16 +/- 3.66   0.754% *  0.9919% (0.97   0.02   0.02) =   0.009%
          HA    VAL  107 - QD    PHE   55  13.99 +/- 2.30   1.381% *  0.3506% (0.34   0.02   0.02) =   0.006%
          HA    ALA   91 - QD    PHE   55  15.49 +/- 4.12   1.902% *  0.2288% (0.22   0.02   0.02) =   0.005%
          HA    VAL   42 - QD    PHE   55  17.53 +/- 1.10   0.636% *  0.2563% (0.25   0.02   0.02) =   0.002%
    Distance limit 4.38 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 = 0.578, support = 1.17, residual support = 1.99:
          HB3   LEU  115 - QD    PHE   55   9.11 +/- 2.03  19.894% * 43.2986% (0.31  1.00   1.97   3.66) =  54.059%  kept
          QB    ALA   61 - QD    PHE   55   9.48 +/- 1.22  16.873% * 22.5359% (0.97  1.00   0.33   0.02) =  23.863%  kept
          QB    ALA  110 - QD    PHE   55  10.24 +/- 3.85  20.376% * 10.2977% (0.80  1.00   0.18   0.02) =  13.168%  kept
        T QG    LYS+  66 - QD    PHE   55  13.63 +/- 2.08   8.355% * 13.4993% (0.95 10.00   0.02   0.02) =   7.078%  kept
        T HG    LEU   67 - QD    PHE   55  17.11 +/- 2.37   2.782% *  3.1771% (0.22 10.00   0.02   0.02) =   0.555%  kept
          HG    LEU   73 - QD    PHE   55  18.03 +/- 4.20   4.698% *  1.1427% (0.80  1.00   0.02   0.02) =   0.337%  kept
          HB3   LEU   67 - QD    PHE   55  16.91 +/- 1.69   2.736% *  1.4271% (1.00  1.00   0.02   0.02) =   0.245%  kept
          HD3   LYS+ 121 - QD    PHE   55  15.17 +/- 3.44   9.540% *  0.2824% (0.20  1.00   0.02   0.02) =   0.169%  kept
          HG    LEU   80 - QD    PHE   55  20.35 +/- 2.98   1.718% *  1.1920% (0.84  1.00   0.02   0.02) =   0.128%  kept
          HG12  ILE   19 - QD    PHE   55  20.00 +/- 2.82   1.845% *  1.0363% (0.73  1.00   0.02   0.02) =   0.120%  kept
          HB3   LYS+  74 - QD    PHE   55  16.45 +/- 3.12   5.438% *  0.2499% (0.18  1.00   0.02   0.02) =   0.085%
          HG    LEU   40 - QD    PHE   55  18.65 +/- 2.44   2.845% *  0.4405% (0.31  1.00   0.02   0.02) =   0.079%
          HG2   LYS+ 102 - QD    PHE   55  25.46 +/- 2.24   0.998% *  0.9803% (0.69  1.00   0.02   0.02) =   0.061%
          HB2   LEU   80 - QD    PHE   55  19.91 +/- 2.77   1.903% *  0.4405% (0.31  1.00   0.02   0.02) =   0.053%
    Distance limit 4.28 A violated in 14 structures by 2.36 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.85, residual support = 3.59:
          QD2   LEU  115 - QD    PHE   55   6.47 +/- 2.12  46.184% * 87.4842% (0.87  1.00   1.88   3.66) =  98.080%  kept
        T QD2   LEU   80 - QD    PHE   55  17.46 +/- 2.15   4.125% *  8.9513% (0.84 10.00   0.02   0.02) =   0.896%  kept
          QD1   LEU   63 - QD    PHE   55   9.36 +/- 1.59  20.989% *  1.0693% (1.00  1.00   0.02   0.02) =   0.545%  kept
          QD1   LEU   73 - QD    PHE   55  15.48 +/- 3.25   9.033% *  1.0693% (1.00  1.00   0.02   0.02) =   0.234%  kept
          QD2   LEU   63 - QD    PHE   55  10.74 +/- 1.40  12.540% *  0.5638% (0.53  1.00   0.02   0.02) =   0.172%  kept
          QD1   LEU  104 - QD    PHE   55  17.40 +/- 2.94   3.410% *  0.6500% (0.61  1.00   0.02   0.02) =   0.054%
          QG1   VAL   83 - QD    PHE   55  17.70 +/- 2.46   3.720% *  0.2121% (0.20  1.00   0.02   0.02) =   0.019%
    Distance limit 4.46 A violated in 8 structures by 1.47 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.928, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   6.21 +/- 2.22  76.763% * 72.5341% (0.99   0.02   0.02) =  89.716%  kept
          HB3   TRP   49 - QE    PHE   95  12.48 +/- 2.68  23.237% * 27.4659% (0.38   0.02   0.02) =  10.284%  kept
    Distance limit 4.40 A violated in 11 structures by 1.88 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.66, support = 1.23, residual support = 6.95:
        T QE    LYS+ 112 - QE    PHE   95   3.74 +/- 1.16  41.411% * 80.7028% (0.69 10.00   1.16   4.84) =  91.033%  kept
          HB    VAL  107 - QE    PHE   95   4.83 +/- 0.87  26.423% *  8.0321% (0.28  1.00   2.85  43.16) =   5.781%  kept
        T HB3   ASP-  62 - QE    PHE   95   8.54 +/- 2.56  12.837% *  4.5315% (0.57 10.00   0.08   0.02) =   1.585%  kept
          HB3   PHE   45 - QE    PHE   95   6.87 +/- 1.62  15.670% *  3.2352% (0.69  1.00   0.46   2.00) =   1.381%  kept
          HG3   MET   96 - QE    PHE   95   9.85 +/- 0.62   2.532% *  3.1043% (0.20  1.00   1.55  11.94) =   0.214%  kept
          HB3   ASP-  86 - QE    PHE   95  15.03 +/- 1.43   0.837% *  0.1918% (0.95  1.00   0.02   0.02) =   0.004%
          HG2   GLU-  29 - QE    PHE   95  21.48 +/- 1.96   0.290% *  0.2023% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 4.94 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 = 0.655, support = 0.529, residual support = 0.191:
          QG1   ILE   56 - QE    PHE   95   5.46 +/- 2.05  30.828% * 18.2292% (0.53   0.42   0.29) =  40.890%  kept
          HD2   LYS+ 111 - QE    PHE   95   8.78 +/- 1.47  11.593% * 45.8962% (0.69   0.80   0.18) =  38.713%  kept
          QD    LYS+ 106 - QE    PHE   95   9.45 +/- 0.65   6.914% * 26.9684% (1.00   0.32   0.02) =  13.567%  kept
          HG3   PRO   93 - QE    PHE   95   6.22 +/- 1.16  20.876% *  2.6272% (0.38   0.08   0.02) =   3.991%  kept
          HB2   LEU   73 - QE    PHE   95  11.93 +/- 3.98  11.881% *  1.5380% (0.92   0.02   0.02) =   1.330%  kept
          HB3   MET   92 - QE    PHE   95   7.60 +/- 1.27  11.083% *  1.3341% (0.80   0.02   0.02) =   1.076%  kept
          QD    LYS+  99 - QE    PHE   95  14.69 +/- 1.05   1.712% *  1.6661% (1.00   0.02   0.02) =   0.207%  kept
          HB2   LEU  123 - QE    PHE   95  13.64 +/- 1.45   2.272% *  0.6849% (0.41   0.02   0.02) =   0.113%  kept
          HB3   LYS+  99 - QE    PHE   95  15.09 +/- 0.97   1.556% *  0.6849% (0.41   0.02   0.02) =   0.078%
          QD    LYS+ 102 - QE    PHE   95  16.31 +/- 1.50   1.285% *  0.3709% (0.22   0.02   0.02) =   0.035%
    Distance limit 4.78 A violated in 0 structures by 0.29 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 2.25, residual support = 34.1:
          QG2   VAL  107 - QE    PHE   95   3.73 +/- 0.82  49.709% * 50.3178% (0.69  1.00   2.41  43.16) =  73.804%  kept
          HB3   LYS+ 112 - QE    PHE   95   5.22 +/- 1.10  25.213% * 20.9003% (0.38  1.00   1.83   4.84) =  15.549%  kept
          QG2   THR   94 - QE    PHE   95   5.43 +/- 0.76  18.245% * 18.7996% (0.34  1.00   1.81  14.94) =  10.121%  kept
          HG13  ILE  103 - QE    PHE   95  12.32 +/- 1.23   1.577% *  8.7726% (1.00  1.00   0.29   0.02) =   0.408%  kept
        T QB    ALA   20 - QE    PHE   95  12.93 +/- 2.97   3.845% *  0.9373% (0.15 10.00   0.02   0.02) =   0.106%  kept
          HG2   LYS+ 121 - QE    PHE   95  12.88 +/- 1.67   1.410% *  0.2723% (0.45  1.00   0.02   0.02) =   0.011%
    Distance limit 4.83 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 = 0.883, support = 3.62, residual support = 9.19:
          QD2   LEU  115 - QE    PHE   95   3.15 +/- 0.93  50.262% * 66.5046% (0.87  1.00   4.08  10.51) =  86.132%  kept
          QD1   LEU   63 - QE    PHE   95   6.08 +/- 3.14  22.121% * 15.1322% (1.00  1.00   0.81   1.56) =   8.626%  kept
          QD1   LEU   73 - QE    PHE   95  10.70 +/- 3.11  14.152% * 12.4591% (1.00  1.00   0.67   0.02) =   4.543%  kept
          QD2   LEU   63 - QE    PHE   95   7.04 +/- 2.80   8.492% *  2.4659% (0.53  1.00   0.25   1.56) =   0.540%  kept
        T QD2   LEU   80 - QE    PHE   95  12.12 +/- 1.87   1.827% *  3.1361% (0.84 10.00   0.02   0.02) =   0.148%  kept
          QD1   LEU  104 - QE    PHE   95  12.08 +/- 1.28   1.521% *  0.2277% (0.61  1.00   0.02   0.02) =   0.009%
          QG1   VAL   83 - QE    PHE   95  11.72 +/- 1.44   1.624% *  0.0743% (0.20  1.00   0.02   0.02) =   0.003%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.342, support = 1.69, residual support = 10.5:
        T QD1   LEU  115 - QE    PHE   95   2.53 +/- 0.72  86.739% * 93.7629% (0.34 10.00   1.70  10.51) =  99.431%  kept
          QB    ALA   64 - QE    PHE   95   7.93 +/- 1.75   7.485% *  6.1730% (0.57  1.00   0.67   0.37) =   0.565%  kept
          QG1   VAL   75 - QE    PHE   95   7.55 +/- 1.24   5.776% *  0.0641% (0.20  1.00   0.02   0.02) =   0.005%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.833, support = 1.11, residual support = 72.2:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  90.309% * 96.0958% (0.84  10.0   1.11  72.44) =  99.634%  kept
          HN    LEU   63 - QD    PHE   60   5.05 +/- 0.58   8.896% *  3.5675% (0.15   1.0   2.23  10.22) =   0.364%  kept
          HZ2   TRP   87 - QD    PHE   60  14.31 +/- 2.34   0.451% *  0.1861% (0.90   1.0   0.02   0.02) =   0.001%
          HD21  ASN   28 - QD    PHE   60  15.49 +/- 2.51   0.344% *  0.1506% (0.73   1.0   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.77, residual support = 72.4:
      O T HB3   PHE   60 - QD    PHE   60   2.47 +/- 0.16  93.369% * 99.7227% (0.73  10.0 10.00   3.77  72.44) =  99.998%  kept
          QE    LYS+  65 - QD    PHE   60   8.66 +/- 1.65   2.797% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 106 - QD    PHE   60  14.03 +/- 1.41   0.574% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  12.02 +/- 2.62   1.416% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  11.78 +/- 1.96   1.227% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.78 +/- 2.80   0.226% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.43 +/- 2.27   0.391% *  0.0468% (0.34   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 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 1.33, residual support = 3.3:
          QD1   ILE   56 - QD    PHE   60   4.20 +/- 1.62  57.527% * 41.5383% (0.99  1.00   1.33   4.45) =  64.672%  kept
          QD2   LEU   73 - QD    PHE   60   7.53 +/- 2.71  33.641% * 36.2290% (0.84  1.00   1.38   1.29) =  32.985%  kept
        T QG1   VAL   41 - QD    PHE   60  11.17 +/- 1.90   3.952% * 21.3689% (0.18 10.00   0.39   0.02) =   2.285%  kept
          HG    LEU   31 - QD    PHE   60  14.02 +/- 2.52   2.660% *  0.4319% (0.69  1.00   0.02   0.02) =   0.031%
          HG3   LYS+ 121 - QD    PHE   60  14.09 +/- 1.79   2.221% *  0.4319% (0.69  1.00   0.02   0.02) =   0.026%
    Distance limit 4.01 A violated in 2 structures by 0.35 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.7, residual support = 2.63:
          QB    ALA   64 - QD    PHE   60   4.39 +/- 1.70 100.000% *100.0000% (0.95   1.70   2.63) = 100.000%  kept
    Distance limit 3.95 A violated in 7 structures by 0.92 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.06, residual support = 62.2:
          HN    PHE   97 - QD    PHE   97   2.66 +/- 0.65  96.104% * 99.3224% (0.97   4.06  62.25) =  99.986%  kept
          HN    LEU  115 - QD    PHE   97  10.05 +/- 1.58   2.449% *  0.4887% (0.97   0.02   0.02) =   0.013%
          HN    ASP- 113 - QD    PHE   97  13.10 +/- 1.21   1.193% *  0.1002% (0.20   0.02   0.02) =   0.001%
          HN    ALA   12 - QD    PHE   97  24.29 +/- 3.12   0.254% *  0.0887% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 0.695, support = 1.34, residual support = 1.57:
          HA    ILE  119 - QD    PHE   97   9.23 +/- 4.21  24.603% * 59.0229% (0.76   1.46   1.27) =  57.026%  kept
          HA    THR  118 - QD    PHE   97   8.66 +/- 3.96  27.837% * 38.5596% (0.61   1.20   2.01) =  42.153%  kept
          HA    VAL   75 - QD    PHE   97  12.20 +/- 1.35  12.681% *  0.5563% (0.53   0.02   0.02) =   0.277%  kept
          HA    ALA   84 - QD    PHE   97  13.65 +/- 2.26   8.911% *  0.5146% (0.49   0.02   0.02) =   0.180%  kept
          HA2   GLY  109 - QD    PHE   97  12.24 +/- 1.09  10.954% *  0.3263% (0.31   0.02   0.02) =   0.140%  kept
          HD3   PRO   58 - QD    PHE   97  13.79 +/- 3.53  12.048% *  0.2940% (0.28   0.02   0.02) =   0.139%  kept
          HB2   TRP   49 - QD    PHE   97  19.54 +/- 2.48   2.967% *  0.7263% (0.69   0.02   0.02) =   0.085%
    Distance limit 4.29 A violated in 11 structures by 2.41 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 61.6:
      O T HB2   PHE   97 - QD    PHE   97   2.45 +/- 0.11  80.974% * 90.0238% (0.90  10.0 10.00   2.44  62.25) =  98.650%  kept
          QE    LYS+ 106 - QD    PHE   97   5.90 +/- 1.19  10.157% *  9.7889% (0.95   1.0  1.00   2.06  11.80) =   1.346%  kept
          HB3   PHE   60 - QD    PHE   97  10.63 +/- 2.78   2.444% *  0.0804% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          QE    LYS+  99 - QD    PHE   97   6.82 +/- 1.25   5.948% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HB3   TRP   27 - QD    PHE   97  13.98 +/- 1.08   0.476% *  0.0871% (0.87   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.64 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   2.41 +/- 0.14  91.945% * 99.7112% (1.00  10.0 10.00   2.74  62.25) =  99.994%  kept
          HB2   PRO   58 - QD    PHE   97  13.66 +/- 4.56   5.230% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLU- 100 - QD    PHE   97  11.18 +/- 1.15   1.172% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QD    PHE   97  12.15 +/- 1.53   0.827% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  79 - QD    PHE   97  15.39 +/- 3.19   0.827% *  0.0308% (0.31   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 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.776, support = 1.77, residual support = 4.7:
          QG1   VAL  107 - QD    PHE   97   5.46 +/- 1.27  60.946% * 61.6301% (0.84   1.73   5.26) =  85.922%  kept
          HG13  ILE  119 - QD    PHE   97   9.86 +/- 3.11  16.552% * 36.3007% (0.41   2.07   1.27) =  13.745%  kept
          HD3   LYS+ 112 - QD    PHE   97  12.04 +/- 1.72   9.043% *  0.8352% (0.98   0.02   0.02) =   0.173%  kept
          HB3   LEU   31 - QD    PHE   97  12.03 +/- 1.59   9.459% *  0.3820% (0.45   0.02   0.02) =   0.083%
          QG1   VAL   24 - QD    PHE   97  14.95 +/- 1.54   4.000% *  0.8520% (1.00   0.02   0.02) =   0.078%
    Distance limit 4.04 A violated in 10 structures by 1.45 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.73, support = 2.84, residual support = 12.0:
          HB2   LEU  104 - QD    PHE   97   4.49 +/- 1.13  53.445% * 55.7520% (0.69   3.29  15.39) =  76.600%  kept
          QD1   ILE  119 - QD    PHE   97   8.56 +/- 2.87  21.255% * 35.0955% (0.95   1.51   1.27) =  19.177%  kept
          QG2   VAL  108 - QD    PHE   97   7.34 +/- 1.01  18.318% *  8.8535% (0.53   0.68   0.02) =   4.169%  kept
          HB    VAL   75 - QD    PHE   97  10.28 +/- 1.27   6.982% *  0.2990% (0.61   0.02   0.02) =   0.054%
    Distance limit 4.19 A violated in 0 structures by 0.37 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.201, support = 1.54, residual support = 1.97:
          QG2   THR  118 - QD    PHE   97   5.70 +/- 3.55  51.959% * 97.8498% (0.20   1.57   2.01) =  98.009%  kept
          QG2   VAL   70 - QD    PHE   97   5.31 +/- 2.21  48.041% *  2.1502% (0.34   0.02   0.02) =   1.991%  kept
    Distance limit 4.34 A violated in 2 structures by 0.47 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.961, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.47 +/- 1.09  78.118% * 85.0969% (1.00   0.02   0.02) =  95.324%  kept
          QB    ALA   47 - QD    PHE   97  13.53 +/- 1.58  21.882% * 14.9031% (0.18   0.02   0.02) =   4.676%  kept
    Distance limit 4.68 A violated in 20 structures by 3.68 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 29.0:
          HN    LEU  115 - QD    PHE   59   5.07 +/- 0.80  59.167% * 99.0868% (0.97   3.01  29.11) =  99.720%  kept
          HN    PHE   97 - QD    PHE   59  10.65 +/- 2.68  20.915% *  0.6586% (0.97   0.02   0.02) =   0.234%  kept
          HN    ASP- 113 - QD    PHE   59   7.55 +/- 1.14  19.252% *  0.1351% (0.20   0.02   0.02) =   0.044%
          HN    ALA   12 - QD    PHE   59  24.37 +/- 3.11   0.666% *  0.1195% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 2.93, residual support = 57.3:
          HA    PHE   59 - QD    PHE   59   2.54 +/- 0.47  80.403% * 77.8596% (0.61   3.00  58.37) =  97.162%  kept
          HA    ILE   56 - QD    PHE   59   6.10 +/- 0.98   8.975% * 19.4950% (0.61   0.75  20.27) =   2.716%  kept
          HA    ASP- 113 - QD    PHE   59   6.50 +/- 1.42   7.750% *  0.8552% (1.00   0.02   0.02) =   0.103%  kept
          HA    LEU  123 - QD    PHE   59   9.93 +/- 0.67   1.647% *  0.4172% (0.49   0.02   0.02) =   0.011%
          HA    LYS+  99 - QD    PHE   59  15.39 +/- 2.48   0.566% *  0.6863% (0.80   0.02   0.02) =   0.006%
          HA    ASN   35 - QD    PHE   59  20.33 +/- 2.27   0.224% *  0.5545% (0.65   0.02   0.02) =   0.002%
          HA    TRP   87 - QD    PHE   59  17.18 +/- 2.55   0.436% *  0.1322% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.987, support = 2.39, residual support = 22.2:
        T HA    ILE  119 - QD    PHE   59   4.07 +/- 0.37  70.751% * 51.2610% (1.00 10.00   2.35  24.64) =  79.979%  kept
        T HA    THR  118 - QD    PHE   59   6.60 +/- 0.63  18.674% * 48.5987% (0.95 10.00   2.56  12.62) =  20.014%  kept
          HA2   GLY  109 - QD    PHE   59  11.70 +/- 1.69   3.861% *  0.0353% (0.69  1.00   0.02   0.02) =   0.003%
          HB2   TRP   49 - QD    PHE   59  14.02 +/- 2.22   2.583% *  0.0504% (0.98  1.00   0.02   0.02) =   0.003%
          HA    ALA   84 - QD    PHE   59  16.30 +/- 2.02   1.274% *  0.0446% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QD    PHE   59  12.90 +/- 1.60   2.856% *  0.0102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.69, residual support = 58.4:
      O   HB2   PHE   59 - QD    PHE   59   2.52 +/- 0.21  84.300% * 99.6982% (0.97  10.0   2.69  58.37) =  99.989%  kept
          QB    PHE   55 - QD    PHE   59   7.53 +/- 1.14   4.173% *  0.0789% (0.76   1.0   0.02   0.02) =   0.004%
          HB3   CYS   53 - QD    PHE   59   8.50 +/- 2.16   6.336% *  0.0463% (0.45   1.0   0.02   0.02) =   0.003%
          HD3   PRO   68 - QD    PHE   59  10.41 +/- 2.23   2.524% *  0.0710% (0.69   1.0   0.02   0.02) =   0.002%
          HD3   PRO   93 - QD    PHE   59  11.13 +/- 2.26   1.446% *  0.0668% (0.65   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   59  11.24 +/- 1.74   1.220% *  0.0388% (0.38   1.0   0.02   0.02) =   0.001%
    Distance limit 4.20 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 = 3.13, residual support = 58.4:
      O   HB3   PHE   59 - QD    PHE   59   2.52 +/- 0.17  99.263% * 99.9680% (0.97  10.0   3.13  58.37) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  14.48 +/- 2.36   0.737% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.859, support = 2.59, residual support = 24.6:
          HB2   PRO   58 - QD    PHE   59   6.08 +/- 1.49  33.539% * 68.9175% (0.99   2.96  39.45) =  61.622%  kept
          HB2   GLN  116 - QD    PHE   59   5.03 +/- 1.28  47.191% * 30.3552% (0.65   2.00   0.66) =  38.190%  kept
          HB3   PHE   97 - QD    PHE   59  10.33 +/- 2.87  18.144% *  0.3758% (0.80   0.02   0.02) =   0.182%  kept
          HB2   GLU- 100 - QD    PHE   59  19.39 +/- 2.68   0.698% *  0.2469% (0.53   0.02   0.02) =   0.005%
          HG3   GLU-  25 - QD    PHE   59  23.65 +/- 2.92   0.429% *  0.1045% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.49 A violated in 0 structures by 0.04 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   3.22 +/- 0.62  88.440% * 99.7154% (0.97 10.00   1.97  20.27) =  99.993%  kept
          HB3   LYS+  99 - QD    PHE   59  14.86 +/- 2.93   2.236% *  0.1047% (1.00  1.00   0.02   0.02) =   0.003%
          HB    ILE   89 - QD    PHE   59  14.81 +/- 2.03   1.465% *  0.0840% (0.80  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD    PHE   59  11.93 +/- 1.99   2.891% *  0.0358% (0.34  1.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QD    PHE   59  14.15 +/- 2.48   2.006% *  0.0394% (0.38  1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QD    PHE   59  12.96 +/- 2.66   2.962% *  0.0208% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.54 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 = 0.538, support = 2.44, residual support = 27.8:
          HB3   LEU  115 - QD    PHE   59   3.60 +/- 1.22  34.722% * 61.7008% (0.65   2.39  29.11) =  74.679%  kept
          HG    LEU  115 - QD    PHE   59   3.77 +/- 0.89  31.490% * 18.7691% (0.15   3.04  29.11) =  20.603%  kept
          QB    ALA   61 - QD    PHE   59   5.91 +/- 0.87  12.187% *  6.4194% (0.69   0.23   0.68) =   2.727%  kept
          QB    ALA  120 - QD    PHE   59   6.99 +/- 0.61   5.836% *  8.1168% (0.15   1.32   0.02) =   1.651%  kept
          QG    LYS+  66 - QD    PHE   59   8.51 +/- 1.79   5.149% *  0.7715% (0.97   0.02   0.02) =   0.138%  kept
          HG    LEU   73 - QD    PHE   59  13.33 +/- 3.15   2.089% *  0.7977% (1.00   0.02   0.02) =   0.058%
          HB3   LEU   67 - QD    PHE   59  10.43 +/- 2.34   2.121% *  0.6678% (0.84   0.02   0.02) =   0.049%
          QB    ALA  110 - QD    PHE   59   9.69 +/- 1.28   2.314% *  0.3584% (0.45   0.02   0.02) =   0.029%
          HG    LEU   67 - QD    PHE   59  10.59 +/- 1.97   1.544% *  0.4206% (0.53   0.02   0.02) =   0.023%
          HG    LEU   40 - QD    PHE   59  11.83 +/- 2.06   1.242% *  0.5172% (0.65   0.02   0.02) =   0.022%
          HG2   LYS+ 102 - QD    PHE   59  19.07 +/- 2.95   0.318% *  0.7715% (0.97   0.02   0.02) =   0.009%
          HG12  ILE   19 - QD    PHE   59  15.17 +/- 1.96   0.579% *  0.3000% (0.38   0.02   0.02) =   0.006%
          HG    LEU   80 - QD    PHE   59  16.68 +/- 2.43   0.407% *  0.3891% (0.49   0.02   0.02) =   0.006%
    Distance limit 4.93 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 = 0.429, support = 3.68, residual support = 23.6:
        T HG13  ILE  119 - QD    PHE   59   2.41 +/- 0.61  77.471% * 76.7805% (0.41 10.00   3.83  24.64) =  95.635%  kept
        T QG1   VAL  107 - QD    PHE   59   6.13 +/- 1.59  11.841% * 22.7659% (0.84 10.00   0.29   0.02) =   4.334%  kept
          HD3   LYS+ 112 - QD    PHE   59   6.22 +/- 1.31   9.773% *  0.1831% (0.98  1.00   0.02   1.29) =   0.029%
          QG1   VAL   24 - QD    PHE   59  15.94 +/- 3.37   0.572% *  0.1868% (1.00  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - QD    PHE   59  17.34 +/- 2.28   0.342% *  0.0837% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.82, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   7.99 +/- 1.12  50.506% * 60.0043% (0.98   0.02   0.02) =  74.719%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.68 +/- 0.55  30.725% * 22.9752% (0.38   0.02   0.02) =  17.404%  kept
          HB3   LEU  104 - QD    PHE   59  13.45 +/- 2.94  18.769% * 17.0205% (0.28   0.02   0.02) =   7.876%  kept
    Distance limit 4.68 A violated in 19 structures by 2.69 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 4.49, residual support = 27.1:
          QD2   LEU  115 - QD    PHE   59   2.22 +/- 0.72  63.094% * 83.8591% (0.98   4.76  29.11) =  93.021%  kept
          QD1   LEU   63 - QD    PHE   59   4.05 +/- 1.72  26.445% * 14.9284% (0.92   0.90   0.02) =   6.941%  kept
          QD1   LEU   73 - QD    PHE   59  11.57 +/- 2.55   2.242% *  0.3320% (0.92   0.02   0.02) =   0.013%
          QD2   LEU   63 - QD    PHE   59   5.45 +/- 1.49   5.367% *  0.1227% (0.34   0.02   0.02) =   0.012%
          QD1   LEU  104 - QD    PHE   59  11.85 +/- 2.64   1.964% *  0.2880% (0.80   0.02   0.02) =   0.010%
          QD2   LEU   80 - QD    PHE   59  14.26 +/- 1.61   0.436% *  0.3471% (0.97   0.02   0.02) =   0.003%
          QG1   VAL   83 - QD    PHE   59  14.24 +/- 1.93   0.450% *  0.1227% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.46, residual support = 29.1:
        T QD1   LEU  115 - QD    PHE   59   3.05 +/- 0.81  83.863% * 99.5131% (0.84 10.00   4.47  29.11) =  99.941%  kept
          QB    ALA   64 - QD    PHE   59   7.16 +/- 0.81  11.118% *  0.4098% (0.15  1.00   0.45   0.02) =   0.055%
          QG1   VAL   75 - QD    PHE   59   9.79 +/- 1.54   5.018% *  0.0771% (0.65  1.00   0.02   0.02) =   0.005%
    Distance limit 4.22 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 = 28.7:
        T HA    LEU  115 - QE    PHE   59   3.39 +/- 0.74  72.927% * 91.0707% (0.73 10.00   1.50  29.11) =  98.674%  kept
          HA    GLU- 114 - QE    PHE   59   6.89 +/- 0.86  10.827% *  8.0113% (1.00  1.00   0.96   0.02) =   1.289%  kept
        T HA    ARG+  54 - QE    PHE   59  10.06 +/- 1.74   5.739% *  0.3309% (0.20 10.00   0.02   0.02) =   0.028%
          HA    CYS   53 - QE    PHE   59   8.90 +/- 1.84   7.892% *  0.0293% (0.18  1.00   0.02   0.02) =   0.003%
          HA1   GLY  101 - QE    PHE   59  18.44 +/- 2.91   0.739% *  0.1639% (0.98  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - QE    PHE   59  18.01 +/- 2.83   0.695% *  0.1451% (0.87  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QE    PHE   59  18.15 +/- 3.08   0.714% *  0.1149% (0.69  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - QE    PHE   59  20.74 +/- 2.95   0.467% *  0.1339% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.9, residual support = 12.6:
        T HB    THR  118 - QE    PHE   59   3.33 +/- 0.84  94.154% * 99.7504% (0.95 10.00   1.90  12.62) =  99.997%  kept
          HA    ILE   89 - QE    PHE   59  14.01 +/- 2.68   2.679% *  0.0674% (0.61  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - QE    PHE   59  16.33 +/- 2.90   1.160% *  0.0498% (0.45  1.00   0.02   0.02) =   0.001%
          HB3   SER   37 - QE    PHE   59  19.92 +/- 3.10   0.671% *  0.0674% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  20.26 +/- 2.81   0.633% *  0.0457% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.27 +/- 3.05   0.704% *  0.0195% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.917, support = 0.899, residual support = 1.22:
          QE    LYS+ 112 - QE    PHE   59   5.47 +/- 1.48  33.506% * 69.0357% (1.00   1.06   1.29) =  73.364%  kept
          HB    VAL  107 - QE    PHE   59   6.10 +/- 2.32  31.908% * 21.5645% (0.80   0.41   0.02) =  21.823%  kept
          HB3   ASP-  62 - QE    PHE   59   6.28 +/- 1.04  21.220% *  6.3953% (0.14   0.72   6.31) =   4.304%  kept
          HB3   PHE   45 - QE    PHE   59  10.26 +/- 2.87  11.525% *  1.3023% (1.00   0.02   0.02) =   0.476%  kept
          HB3   ASP-  86 - QE    PHE   59  17.73 +/- 2.63   0.796% *  0.5851% (0.45   0.02   0.02) =   0.015%
          HG2   GLU-  29 - QE    PHE   59  22.14 +/- 2.74   0.480% *  0.7916% (0.61   0.02   0.02) =   0.012%
          QG    GLN   32 - QE    PHE   59  20.24 +/- 2.69   0.566% *  0.3254% (0.25   0.02   0.02) =   0.006%
    Distance limit 5.11 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 = 0.734, support = 4.05, residual support = 23.9:
          HG12  ILE  119 - QE    PHE   59   2.78 +/- 0.60  75.026% * 80.8434% (0.73   4.17  24.64) =  96.863%  kept
          HB3   PHE   72 - QE    PHE   59  10.52 +/- 3.22  15.434% *  9.9670% (1.00   0.37   0.02) =   2.457%  kept
          HB2   ASP-  44 - QE    PHE   59   8.05 +/- 2.57   5.865% *  7.0343% (0.99   0.27   0.02) =   0.659%  kept
          QG    GLN   90 - QE    PHE   59  14.85 +/- 2.67   0.983% *  0.5229% (0.98   0.02   0.02) =   0.008%
          QG    GLU-  14 - QE    PHE   59  18.91 +/- 2.73   0.561% *  0.5322% (1.00   0.02   0.02) =   0.005%
          QG    GLU-  15 - QE    PHE   59  17.29 +/- 2.27   0.470% *  0.5046% (0.95   0.02   0.02) =   0.004%
          HG3   MET   92 - QE    PHE   59  13.10 +/- 2.58   1.099% *  0.1330% (0.25   0.02   0.02) =   0.002%
          QB    MET   11 - QE    PHE   59  23.01 +/- 3.99   0.322% *  0.2806% (0.53   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   59  21.42 +/- 3.35   0.240% *  0.1820% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 0.728, support = 4.02, residual support = 22.2:
          HG13  ILE  119 - QE    PHE   59   3.11 +/- 0.79  53.668% * 68.0314% (0.73   4.37  24.64) =  89.805%  kept
          HD3   LYS+ 112 - QE    PHE   59   6.45 +/- 1.34   8.381% * 25.5915% (0.95   1.26   1.29) =   5.276%  kept
          QG1   VAL  107 - QE    PHE   59   4.95 +/- 1.97  35.814% *  5.5713% (0.53   0.49   0.02) =   4.908%  kept
          QG1   VAL   24 - QE    PHE   59  15.99 +/- 3.57   0.633% *  0.3716% (0.87   0.02   0.02) =   0.006%
          HB3   LEU   31 - QE    PHE   59  16.94 +/- 2.97   0.376% *  0.3274% (0.76   0.02   0.02) =   0.003%
          QB    ALA   20 - QE    PHE   59  13.48 +/- 2.93   1.127% *  0.1068% (0.25   0.02   0.02) =   0.003%
    Distance limit 4.19 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 = 0.838, support = 2.7, residual support = 26.6:
        T QD2   LEU  115 - QE    PHE   59   2.38 +/- 0.73  52.720% * 85.7780% (0.87 10.00   2.91  29.11) =  91.414%  kept
        T QD1   LEU   63 - QE    PHE   59   4.35 +/- 2.55  33.317% * 12.5335% (0.53 10.00   0.48   0.02) =   8.441%  kept
        T QD1   LEU   73 - QE    PHE   59  11.65 +/- 3.26  10.564% *  0.5203% (0.53 10.00   0.02   0.02) =   0.111%  kept
        T QD1   LEU  104 - QE    PHE   59  11.02 +/- 2.73   1.590% *  0.9867% (1.00 10.00   0.02   0.02) =   0.032%
          QG1   VAL   83 - QE    PHE   59  13.75 +/- 2.60   0.401% *  0.0756% (0.76  1.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   59  14.07 +/- 2.26   0.339% *  0.0887% (0.90  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - QE    PHE   59  10.76 +/- 2.07   1.069% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 2.89, residual support = 28.2:
          QD1   LEU  115 - QE    PHE   59   3.06 +/- 0.72  84.783% * 79.7259% (0.45   2.96  29.11) =  97.008%  kept
          QB    ALA   64 - QE    PHE   59   7.74 +/- 1.38  10.374% * 19.9397% (0.45   0.74   0.02) =   2.969%  kept
          QG1   VAL   75 - QE    PHE   59   9.57 +/- 1.91   4.843% *  0.3344% (0.28   0.02   0.02) =   0.023%
    Distance limit 4.64 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 = 4.31, residual support = 12.6:
          QG2   THR  118 - QE    PHE   59   2.93 +/- 0.69 100.000% *100.0000% (0.80   4.31  12.62) = 100.000%  kept
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.99, support = 1.11, residual support = 72.4:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  91.170% * 98.8873% (0.99  10.0   1.11  72.44) =  99.934%  kept
          QE    PHE   59 - QE    PHE   60   8.13 +/- 2.19   6.749% *  0.8377% (0.28   1.0   0.33  20.02) =   0.063%
          HN    LYS+  66 - QE    PHE   60   8.90 +/- 1.28   1.717% *  0.1375% (0.76   1.0   0.02   0.02) =   0.003%
          HN    LYS+  81 - QE    PHE   60  15.78 +/- 3.41   0.363% *  0.1375% (0.76   1.0   0.02   0.02) =   0.001%
    Distance limit 3.33 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 = 0.852, support = 2.21, residual support = 6.41:
          HB3   PHE   72 - QE    PHE   60   7.81 +/- 3.65  26.327% * 68.8633% (0.87   2.71   7.97) =  76.428%  kept
          HB2   ASP-  44 - QE    PHE   60   6.73 +/- 2.18  27.616% * 15.3305% (0.76   0.68   1.80) =  17.848%  kept
          HG12  ILE  119 - QE    PHE   60  10.39 +/- 1.51   9.130% * 13.4190% (0.98   0.47   0.02) =   5.165%  kept
          QG    GLU-  14 - QE    PHE   60  14.65 +/- 4.26   8.825% *  0.4698% (0.80   0.02   0.02) =   0.175%  kept
          HG3   MET   92 - QE    PHE   60  13.01 +/- 4.41  11.899% *  0.3321% (0.57   0.02   0.02) =   0.167%  kept
          QG    GLN   90 - QE    PHE   60  14.86 +/- 3.42   3.650% *  0.5416% (0.92   0.02   0.02) =   0.083%
          QG    GLU-  15 - QE    PHE   60  13.88 +/- 3.50   4.646% *  0.3795% (0.65   0.02   0.02) =   0.074%
          HB2   GLU-  29 - QE    PHE   60  17.60 +/- 2.96   1.423% *  0.4030% (0.69   0.02   0.02) =   0.024%
          HB2   ASP- 105 - QE    PHE   60  13.83 +/- 2.58   3.583% *  0.1306% (0.22   0.02   0.02) =   0.020%
          QB    MET   11 - QE    PHE   60  19.13 +/- 4.00   2.903% *  0.1306% (0.22   0.02   0.02) =   0.016%
    Distance limit 4.87 A violated in 3 structures by 0.79 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.955, support = 1.22, residual support = 2.27:
          HB    VAL   42 - QE    PHE   60   9.47 +/- 2.28  12.886% * 44.6551% (1.00  1.00   1.60   3.66) =  49.439%  kept
          HB3   LEU   73 - QE    PHE   60   9.30 +/- 3.61  12.769% * 30.4339% (0.98  1.00   1.11   1.29) =  33.388%  kept
          HB2   LYS+ 112 - QE    PHE   60  10.13 +/- 3.25   6.926% * 13.0568% (0.92  1.00   0.50   0.32) =   7.770%  kept
          HG3   LYS+  65 - QE    PHE   60   9.47 +/- 2.22  10.509% *  5.8395% (1.00  1.00   0.21   0.02) =   5.272%  kept
          HB3   LYS+  74 - QE    PHE   60   7.96 +/- 3.56  18.543% *  1.9659% (0.25  1.00   0.28   0.02) =   3.132%  kept
        T QB    ALA   84 - QE    PHE   60  12.79 +/- 2.49   2.392% *  1.3987% (0.25 10.00   0.02   0.02) =   0.287%  kept
          HB3   PRO   93 - QE    PHE   60   9.35 +/- 4.43  16.251% *  0.1560% (0.28  1.00   0.02   0.02) =   0.218%  kept
          QB    LEU   98 - QE    PHE   60  12.66 +/- 2.38   6.167% *  0.2730% (0.49  1.00   0.02   0.02) =   0.145%  kept
          HG3   LYS+  33 - QE    PHE   60  16.51 +/- 2.94   1.768% *  0.5597% (1.00  1.00   0.02   0.02) =   0.085%
          HG3   LYS+ 106 - QE    PHE   60  14.59 +/- 2.25   1.875% *  0.4685% (0.84  1.00   0.02   0.02) =   0.075%
          QB    ALA   12 - QE    PHE   60  16.95 +/- 3.12   1.716% *  0.4287% (0.76  1.00   0.02   0.02) =   0.063%
          HG3   LYS+ 102 - QE    PHE   60  19.92 +/- 2.69   1.320% *  0.5413% (0.97  1.00   0.02   0.02) =   0.061%
          HG    LEU   98 - QE    PHE   60  14.68 +/- 3.13   4.685% *  0.0982% (0.18  1.00   0.02   0.02) =   0.040%
          HD3   LYS+ 121 - QE    PHE   60  15.05 +/- 2.18   2.195% *  0.1249% (0.22  1.00   0.02   0.02) =   0.024%
    Distance limit 4.89 A violated in 3 structures by 0.60 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 1.33, residual support = 4.44:
        T QD1   ILE   56 - QE    PHE   60   5.37 +/- 2.07  81.247% * 98.7651% (0.20 10.00   1.33   4.45) =  99.853%  kept
          QD2   LEU  123 - QE    PHE   60  12.97 +/- 1.60  11.098% *  0.6912% (0.92  1.00   0.02   0.02) =   0.095%
          HG3   LYS+ 121 - QE    PHE   60  15.54 +/- 2.24   7.654% *  0.5437% (0.73  1.00   0.02   0.02) =   0.052%
    Distance limit 5.11 A violated in 6 structures by 1.00 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.691, support = 1.34, residual support = 2.7:
          QB    ALA   64 - QE    PHE   60   4.96 +/- 1.96  48.661% * 53.8947% (0.84   1.20   2.63) =  69.359%  kept
          QG1   VAL   42 - QE    PHE   60   6.96 +/- 1.92  24.750% * 36.6193% (0.34   2.00   3.66) =  23.970%  kept
          QB    ALA   47 - QE    PHE   60   8.55 +/- 2.94  26.589% *  9.4860% (0.45   0.39   0.02) =   6.671%  kept
    Distance limit 4.69 A violated in 1 structures by 0.31 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 2.26, residual support = 5.18:
          HB3   PHE   72 - QD    PHE   60   7.53 +/- 3.32  30.940% * 55.8905% (0.76   2.78   7.97) =  55.345%  kept
          HB2   ASP-  44 - QD    PHE   60   5.92 +/- 2.14  35.046% * 37.9690% (0.87   1.66   1.80) =  42.589%  kept
          HG12  ILE  119 - QD    PHE   60   8.59 +/- 1.23  13.987% *  4.1865% (0.34   0.47   0.02) =   1.874%  kept
          QG    GLU-  14 - QD    PHE   60  15.03 +/- 3.58   3.793% *  0.4393% (0.84   0.02   0.02) =   0.053%
          QG    GLU-  15 - QD    PHE   60  14.14 +/- 2.55   3.088% *  0.4975% (0.95   0.02   0.02) =   0.049%
          QB    MET   11 - QD    PHE   60  19.47 +/- 3.61   2.304% *  0.4717% (0.90   0.02   0.02) =   0.035%
          QG    GLN   90 - QD    PHE   60  14.91 +/- 2.73   2.668% *  0.3613% (0.69   0.02   0.02) =   0.031%
          HG2   MET   92 - QD    PHE   60  12.96 +/- 3.68   7.147% *  0.0921% (0.18   0.02   0.02) =   0.021%
          HG3   GLU-  36 - QD    PHE   60  21.67 +/- 3.01   1.028% *  0.0921% (0.18   0.02   0.02) =   0.003%
    Distance limit 4.94 A violated in 4 structures by 0.50 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.28, residual support = 90.1:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  98.136% * 99.8968% (0.87  10.0   3.28  90.10) =  99.999%  kept
          HD22  ASN   28 - QD    PHE   72  10.42 +/- 1.57   1.244% *  0.0745% (0.65   1.0   0.02   0.02) =   0.001%
          HN    ALA   47 - QD    PHE   72  12.36 +/- 1.07   0.619% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 3.05, residual support = 6.67:
          QD    PHE   60 - QD    PHE   72   5.81 +/- 2.43  40.723% * 78.0530% (0.76   3.35   7.97) =  82.852%  kept
          HE3   TRP   27 - QD    PHE   72   5.81 +/- 1.78  37.909% * 13.7588% (0.25   1.81   0.35) =  13.596%  kept
          HN    LYS+  66 - QD    PHE   72   6.79 +/- 0.87  18.098% *  7.4634% (0.28   0.88   0.61) =   3.521%  kept
          HN    LYS+  81 - QD    PHE   72  14.24 +/- 1.48   1.680% *  0.6042% (0.99   0.02   0.02) =   0.026%
          QD    PHE   55 - QD    PHE   72  14.03 +/- 1.81   1.591% *  0.1206% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.19 A violated in 0 structures by 0.16 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.518, support = 1.55, residual support = 10.8:
          QE    PHE   60 - QD    PHE   72   6.16 +/- 2.69  37.690% * 32.4097% (0.18   2.60   7.97) =  45.750%  kept
          HN    LEU   63 - QD    PHE   72   6.79 +/- 1.10  27.018% * 43.9128% (0.80   0.77  16.13) =  44.437%  kept
          HD21  ASN   28 - QD    PHE   72  11.27 +/- 1.60  10.962% * 16.1436% (0.90   0.25   0.02) =   6.628%  kept
          HZ2   TRP   87 - QD    PHE   72  10.89 +/- 2.74  13.857% *  5.6748% (0.73   0.11   0.02) =   2.945%  kept
          HN    ILE   56 - QD    PHE   72  13.47 +/- 1.57   3.358% *  0.9791% (0.69   0.02   0.02) =   0.123%  kept
          HN    ALA   84 - QD    PHE   72  13.60 +/- 1.59   5.094% *  0.4400% (0.31   0.02   0.02) =   0.084%
          HN    LYS+ 111 - QD    PHE   72  16.64 +/- 2.35   2.020% *  0.4400% (0.31   0.02   0.02) =   0.033%
    Distance limit 4.84 A violated in 7 structures by 0.72 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.64, residual support = 90.1:
          HN    PHE   72 - QD    PHE   72   2.56 +/- 0.57  98.223% * 99.8241% (0.98   5.64  90.10) =  99.997%  kept
          HN    LEU  104 - QD    PHE   72  11.21 +/- 0.96   1.777% *  0.1759% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.35 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 = 2.08, residual support = 90.1:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  50.849% * 52.6465% (0.76  10.0 10.00   1.06  90.10) =  54.254%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  47.700% * 47.3200% (0.69  10.0 10.00   3.28  90.10) =  45.745%  kept
          QE    PHE   45 - QE    PHE   72   7.92 +/- 1.71   1.451% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.92 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 = 0.604, support = 1.02, residual support = 5.58:
          QD    PHE   60 - QE    PHE   72   5.50 +/- 2.11  37.405% * 61.4137% (0.76   1.07   7.97) =  67.946%  kept
          HN    LYS+  66 - QE    PHE   72   5.47 +/- 0.66  34.459% * 18.6957% (0.28   0.89   0.61) =  19.055%  kept
          HE3   TRP   27 - QE    PHE   72   7.21 +/- 1.86  24.072% * 18.0975% (0.25   0.96   0.35) =  12.886%  kept
          HN    LYS+  81 - QE    PHE   72  14.18 +/- 1.42   2.182% *  1.4947% (0.99   0.02   0.02) =   0.096%
          QD    PHE   55 - QE    PHE   72  13.48 +/- 1.34   1.882% *  0.2984% (0.20   0.02   0.02) =   0.017%
    Distance limit 4.39 A violated in 0 structures by 0.20 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.06, residual support = 90.1:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  98.892% * 99.8350% (1.00  10.0   1.06  90.10) =  99.999%  kept
          HN    ALA   47 - HZ    PHE   72  13.24 +/- 2.58   0.621% *  0.1068% (0.57   1.0   0.02   0.02) =   0.001%
          HD22  ASN   28 - HZ    PHE   72  14.03 +/- 1.79   0.487% *  0.0582% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.62, residual support = 90.1:
          HA    PHE   72 - QD    PHE   72   3.61 +/- 0.23  94.304% * 99.8357% (0.90   4.62  90.10) =  99.990%  kept
          HA    MET   96 - QD    PHE   72   9.62 +/- 1.08   5.696% *  0.1643% (0.34   0.02   0.02) =   0.010%
    Distance limit 4.83 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 = 0.522, support = 0.02, residual support = 0.02:
          HA    THR   23 - QD    PHE   72  12.40 +/- 0.98  15.761% * 28.8048% (0.65   0.02   0.02) =  28.283%  kept
          HA    PHE   45 - QD    PHE   72   8.58 +/- 1.33  45.172% *  9.9133% (0.22   0.02   0.02) =  27.897%  kept
          HA    ASP-  78 - QD    PHE   72  14.52 +/- 0.65   9.789% * 41.1037% (0.92   0.02   0.02) =  25.066%  kept
          HA    LEU   80 - QD    PHE   72  12.58 +/- 1.35  15.867% * 12.3802% (0.28   0.02   0.02) =  12.238%  kept
          HB    THR   23 - QD    PHE   72  13.25 +/- 0.99  13.410% *  7.7981% (0.18   0.02   0.02) =   6.515%  kept
    Distance limit 4.80 A violated in 20 structures by 3.20 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.709, support = 3.86, residual support = 59.4:
        T HA    ALA   64 - QD    PHE   72   3.39 +/- 0.68  33.199% * 81.4327% (0.92   1.0 10.00   3.56  46.61) =  70.451%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.44 +/- 0.16  64.856% * 17.4576% (0.20  10.0 10.00   4.58  90.10) =  29.505%  kept
          QE    LYS+  66 - QD    PHE   72   9.52 +/- 1.58   1.557% *  1.0633% (0.25   1.0  1.00   0.97   0.61) =   0.043%
          HB3   ASN   35 - QD    PHE   72  13.66 +/- 1.32   0.387% *  0.0464% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 90.0:
      O T HB3   PHE   72 - QD    PHE   72   2.43 +/- 0.10  74.283% * 99.0981% (0.98  10.0 10.00   4.86  90.10) =  99.889%  kept
          HB2   ASP-  44 - QD    PHE   72   5.01 +/- 1.42  18.597% *  0.4081% (0.92   1.0  1.00   0.09   0.02) =   0.103%  kept
          QG    GLU-  15 - QD    PHE   72   9.71 +/- 2.39   2.000% *  0.0844% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QD    PHE   72  11.43 +/- 2.70   1.709% *  0.0956% (0.95   1.0  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - QD    PHE   72  11.23 +/- 2.78   1.402% *  0.0877% (0.87   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QD    PHE   72  15.36 +/- 1.13   0.319% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  15.85 +/- 3.91   0.793% *  0.0379% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  12.86 +/- 1.38   0.593% *  0.0492% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  15.62 +/- 1.45   0.303% *  0.0379% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.765, support = 1.8, residual support = 13.0:
        T HB    VAL   42 - QD    PHE   72   4.18 +/- 1.43  38.248% * 54.5572% (0.80 10.00   0.82   4.31) =  69.348%  kept
          HB3   LEU   73 - QD    PHE   72   5.08 +/- 0.98  23.953% * 28.2276% (0.73  1.00   4.66  44.16) =  22.470%  kept
          HB3   LYS+  74 - QD    PHE   72   5.85 +/- 1.40  19.356% * 11.7974% (0.57  1.00   2.50   1.31) =   7.589%  kept
          HG3   LYS+  65 - QD    PHE   72   8.73 +/- 0.87   4.194% *  3.6090% (0.80  1.00   0.54   0.02) =   0.503%  kept
        T HB2   LYS+ 112 - QD    PHE   72  13.91 +/- 2.88   1.151% *  1.0127% (0.61 10.00   0.02   0.02) =   0.039%
          QB    LEU   98 - QD    PHE   72   8.39 +/- 1.50   4.464% *  0.1395% (0.84  1.00   0.02   0.02) =   0.021%
          HG3   LYS+  33 - QD    PHE   72  10.64 +/- 1.37   2.088% *  0.1448% (0.87  1.00   0.02   0.02) =   0.010%
          QB    ALA   12 - QD    PHE   72  13.97 +/- 2.66   0.986% *  0.1655% (0.99  1.00   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QD    PHE   72  14.36 +/- 3.13   1.491% *  0.0878% (0.53  1.00   0.02   0.02) =   0.004%
          HB2   LEU   80 - QD    PHE   72  10.86 +/- 1.92   2.078% *  0.0627% (0.38  1.00   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - QD    PHE   72  12.32 +/- 1.37   1.185% *  0.0813% (0.49  1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - QD    PHE   72  15.26 +/- 2.14   0.808% *  0.1147% (0.69  1.00   0.02   0.02) =   0.003%
    Distance limit 4.33 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 = 0.487, support = 1.54, residual support = 23.1:
        T QD1   LEU   67 - QD    PHE   72   3.81 +/- 1.10  40.300% * 73.9356% (0.41 10.00   1.50  26.85) =  84.991%  kept
          HB    VAL   75 - QD    PHE   72   4.97 +/- 0.94  22.065% * 21.7624% (0.98  1.00   1.85   1.90) =  13.697%  kept
          HG3   LYS+  74 - QD    PHE   72   6.99 +/- 1.24  13.728% *  2.7621% (0.22  1.00   1.03   1.31) =   1.082%  kept
        T QD1   ILE  119 - QD    PHE   72   9.10 +/- 2.50   5.007% *  1.2616% (0.53 10.00   0.02   0.02) =   0.180%  kept
          QD2   LEU   40 - QD    PHE   72   6.17 +/- 0.96  13.004% *  0.1075% (0.45  1.00   0.02   0.02) =   0.040%
          QG2   ILE  103 - QD    PHE   72  10.13 +/- 1.41   2.753% *  0.0740% (0.31  1.00   0.02   0.02) =   0.006%
          HB2   LEU  104 - QD    PHE   72  11.12 +/- 1.52   1.781% *  0.0598% (0.25  1.00   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  12.48 +/- 1.04   1.362% *  0.0370% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.80 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 = 6.52, residual support = 43.6:
          QD2   LEU   73 - QD    PHE   72   3.39 +/- 0.96  52.413% * 95.7834% (0.95   6.59  44.16) =  98.710%  kept
          QG1   VAL   43 - QD    PHE   72   5.95 +/- 1.64  16.976% *  2.4459% (0.15   1.03   0.02) =   0.816%  kept
          QG1   VAL   41 - QD    PHE   72   6.23 +/- 1.51  20.431% *  1.0479% (0.28   0.25   0.02) =   0.421%  kept
          HG    LEU   31 - QD    PHE   72   8.54 +/- 1.60   5.118% *  0.2566% (0.84   0.02   0.02) =   0.026%
          QD1   ILE   56 - QD    PHE   72   9.86 +/- 1.37   3.992% *  0.3045% (0.99   0.02   0.02) =   0.024%
          HG3   LYS+ 121 - QD    PHE   72  14.54 +/- 3.41   1.071% *  0.1616% (0.53   0.02   0.02) =   0.003%
    Distance limit 4.83 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 = 5.72, residual support = 46.6:
        T QB    ALA   64 - QD    PHE   72   2.66 +/- 0.56  96.326% * 99.9781% (0.80 10.00   5.72  46.61) =  99.999%  kept
          QD1   LEU  115 - QD    PHE   72   9.10 +/- 1.99   3.674% *  0.0219% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.73, residual support = 45.4:
        T QG2   VAL   70 - QD    PHE   72   2.28 +/- 0.59 100.000% *100.0000% (0.65 10.00   3.73  45.40) = 100.000%  kept
    Distance limit 4.58 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 = 0.387, support = 4.01, residual support = 45.3:
        T HA    ALA   64 - QE    PHE   72   2.53 +/- 0.54  85.002% * 85.2617% (0.38 10.00   4.08  46.61) =  97.185%  kept
          QE    LYS+  66 - QE    PHE   72   8.33 +/- 1.58  14.458% * 14.5131% (0.80  1.00   1.60   0.61) =   2.814%  kept
          HB3   ASN   35 - QE    PHE   72  14.87 +/- 1.97   0.539% *  0.2252% (0.99  1.00   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.99, support = 4.26, residual support = 43.9:
        T HB    VAL   70 - QE    PHE   72   2.61 +/- 0.95  67.932% * 87.1345% (0.99 10.00   4.40  45.40) =  96.783%  kept
        T QG    GLN   17 - QE    PHE   72   8.28 +/- 3.16  15.507% * 12.6260% (0.97 10.00   0.30   0.02) =   3.201%  kept
          HB2   MET   96 - QE    PHE   72   8.45 +/- 1.86  11.444% *  0.0734% (0.84  1.00   0.02   0.02) =   0.014%
          HB3   ASP-  76 - QE    PHE   72   9.90 +/- 0.78   1.647% *  0.0271% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QE    PHE   72  15.62 +/- 1.32   0.383% *  0.0788% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  11.68 +/- 2.04   1.950% *  0.0136% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  14.54 +/- 1.66   0.579% *  0.0330% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  14.08 +/- 2.06   0.557% *  0.0136% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.466, support = 3.14, residual support = 24.9:
        T HB2   LEU   67 - QE    PHE   72   3.70 +/- 1.17  39.376% * 78.2549% (0.45 10.00   3.28  26.85) =  92.694%  kept
          HB    ILE   19 - QE    PHE   72   8.32 +/- 2.23  11.516% *  9.4795% (0.73  1.00   1.50   1.14) =   3.284%  kept
          HG2   PRO   68 - QE    PHE   72   7.46 +/- 1.36  10.029% * 10.4126% (0.80  1.00   1.49   0.40) =   3.141%  kept
          HB    VAL   18 - QE    PHE   72   5.81 +/- 3.86  21.097% *  1.3279% (0.22  1.00   0.68   0.56) =   0.843%  kept
          HB2   LEU  115 - QE    PHE   72  10.92 +/- 2.00   3.231% *  0.1458% (0.84  1.00   0.02   0.02) =   0.014%
          QB    GLU- 114 - QE    PHE   72  13.19 +/- 2.27   2.235% *  0.1129% (0.65  1.00   0.02   0.02) =   0.008%
          QB    GLU-  15 - QE    PHE   72  11.23 +/- 2.55   7.492% *  0.0306% (0.18  1.00   0.02   0.02) =   0.007%
          HG3   PRO   58 - QE    PHE   72  13.33 +/- 1.39   1.189% *  0.1514% (0.87  1.00   0.02   0.02) =   0.005%
          HB2   GLN   17 - QE    PHE   72   9.53 +/- 2.79   3.117% *  0.0306% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   GLU-  25 - QE    PHE   72  15.83 +/- 1.45   0.719% *  0.0539% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.12 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.565, support = 2.44, residual support = 15.3:
          HB3   LEU   67 - QE    PHE   72   3.25 +/- 1.41  45.010% * 27.7062% (0.38   3.20  26.85) =  55.202%  kept
          HB3   LYS+  74 - QE    PHE   72   6.00 +/- 1.60  17.451% * 32.0821% (0.90   1.55   1.31) =  24.783%  kept
          HG12  ILE   19 - QE    PHE   72   8.20 +/- 2.70  11.959% * 27.6777% (0.84   1.44   1.14) =  14.652%  kept
          QG    LYS+  66 - QE    PHE   72   6.84 +/- 1.30  12.645% *  8.2821% (0.22   1.61   0.61) =   4.636%  kept
          QB    ALA   61 - QE    PHE   72   6.64 +/- 0.84   6.413% *  2.2112% (0.53   0.18   0.02) =   0.628%  kept
          QB    LEU   98 - QE    PHE   72   8.97 +/- 1.46   2.129% *  0.2982% (0.65   0.02   0.02) =   0.028%
          HD3   LYS+ 121 - QE    PHE   72  13.99 +/- 3.13   1.363% *  0.4255% (0.92   0.02   0.02) =   0.026%
          HB2   LEU   80 - QE    PHE   72  10.99 +/- 1.89   0.866% *  0.4569% (0.99   0.02   0.02) =   0.018%
          HG    LEU   80 - QE    PHE   72  10.56 +/- 2.19   1.061% *  0.3347% (0.73   0.02   0.02) =   0.016%
          QB    ALA  110 - QE    PHE   72  14.22 +/- 1.93   0.594% *  0.3523% (0.76   0.02   0.02) =   0.009%
          QB    ALA   12 - QE    PHE   72  14.47 +/- 2.94   0.509% *  0.1730% (0.38   0.02   0.02) =   0.004%
    Distance limit 4.07 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 = 0.444, support = 3.91, residual support = 25.2:
        T QD1   LEU   67 - QE    PHE   72   2.78 +/- 0.61  51.399% * 83.3569% (0.41 10.00   4.08  26.85) =  93.569%  kept
          HB    VAL   75 - QE    PHE   72   4.39 +/- 0.70  19.234% * 14.0108% (0.98  1.00   1.41   1.90) =   5.885%  kept
          HG3   LYS+  74 - QE    PHE   72   6.58 +/- 1.82  12.811% *  1.3302% (0.22  1.00   0.59   1.31) =   0.372%  kept
        T QD1   ILE  119 - QE    PHE   72   8.52 +/- 2.68   6.739% *  1.0668% (0.53 10.00   0.02   0.02) =   0.157%  kept
          QD2   LEU   40 - QE    PHE   72   6.69 +/- 1.10   6.161% *  0.0909% (0.45  1.00   0.02   0.02) =   0.012%
          QG2   ILE  103 - QE    PHE   72  10.38 +/- 1.64   1.872% *  0.0626% (0.31  1.00   0.02   0.02) =   0.003%
          HB2   LEU  104 - QE    PHE   72  11.39 +/- 2.04   1.041% *  0.0506% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  12.20 +/- 1.27   0.743% *  0.0313% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 0.566, support = 4.24, residual support = 22.2:
          HB3   LEU   63 - QE    PHE   72   4.54 +/- 1.83  26.700% * 74.0864% (0.73   4.35  16.13) =  70.156%  kept
          QG1   VAL   70 - QE    PHE   72   3.26 +/- 0.79  34.522% * 19.5152% (0.18   4.75  45.40) =  23.893%  kept
          QG1   VAL   18 - QE    PHE   72   4.47 +/- 3.10  28.706% *  5.7883% (0.25   0.99   0.56) =   5.893%  kept
          QD1   LEU   40 - QE    PHE   72   5.26 +/- 0.80   9.558% *  0.1449% (0.31   0.02   0.02) =   0.049%
          QG1   VAL  108 - QE    PHE   72  13.71 +/- 1.44   0.514% *  0.4652% (0.99   0.02   0.02) =   0.008%
    Distance limit 4.07 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 = 0.84, support = 3.52, residual support = 21.5:
          QD2   LEU   63 - QE    PHE   72   3.43 +/- 1.19  43.875% * 25.4424% (0.69   3.43  16.13) =  47.419%  kept
          QD1   LEU   63 - QE    PHE   72   4.76 +/- 1.10  18.917% * 41.4692% (0.98   3.92  16.13) =  33.324%  kept
          QD1   LEU   73 - QE    PHE   72   6.17 +/- 1.15  13.827% * 32.5418% (0.98   3.08  44.16) =  19.114%  kept
          QG2   VAL   41 - QE    PHE   72   6.64 +/- 1.38  13.040% *  0.1451% (0.18   0.08   0.02) =   0.080%
          QD2   LEU  115 - QE    PHE   72   8.89 +/- 1.68   4.963% *  0.1567% (0.73   0.02   0.02) =   0.033%
          QD2   LEU   80 - QE    PHE   72   8.87 +/- 1.48   3.038% *  0.1482% (0.69   0.02   0.02) =   0.019%
          QD1   LEU  104 - QE    PHE   72  10.24 +/- 1.83   2.339% *  0.0967% (0.45   0.02   0.02) =   0.010%
    Distance limit 4.48 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 = 4.97, residual support = 46.1:
          QB    ALA   64 - QE    PHE   72   2.58 +/- 0.60  63.554% * 97.4094% (0.69   5.02  46.61) =  98.819%  kept
          QG1   VAL   42 - QE    PHE   72   3.83 +/- 1.42  34.450% *  2.1364% (0.49   0.16   4.31) =   1.175%  kept
          QB    ALA   47 - QE    PHE   72  11.38 +/- 1.51   0.732% *  0.3424% (0.61   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - QE    PHE   72  12.54 +/- 2.51   1.264% *  0.1117% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.42 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 = 5.31, residual support = 45.4:
        T QG2   VAL   70 - QE    PHE   72   2.84 +/- 0.53 100.000% *100.0000% (0.90 10.00   5.31  45.40) = 100.000%  kept
    Distance limit 4.03 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 = 0.645, support = 3.28, residual support = 46.0:
        T HA    ALA   64 - HZ    PHE   72   3.30 +/- 0.74  80.378% * 94.3872% (0.65 10.00   3.30  46.61) =  98.686%  kept
          QE    LYS+  66 - HZ    PHE   72   9.21 +/- 1.76  18.371% *  5.4909% (0.53  1.00   1.43   0.61) =   1.312%  kept
          HB3   ASN   35 - HZ    PHE   72  17.46 +/- 2.61   1.251% *  0.1219% (0.84  1.00   0.02   0.02) =   0.002%
    Distance limit 4.82 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 = 3.21, residual support = 44.1:
        T HB    VAL   70 - HZ    PHE   72   4.70 +/- 1.12  59.896% * 91.0024% (0.92 10.00   3.30  45.40) =  97.223%  kept
        T QG    GLN   17 - HZ    PHE   72   9.62 +/- 3.63  17.509% *  8.3283% (0.97 10.00   0.18   0.02) =   2.601%  kept
        T HB2   MET   96 - HZ    PHE   72   9.90 +/- 2.27  18.681% *  0.5187% (0.53 10.00   0.02   0.02) =   0.173%  kept
          HB2   GLU-  25 - HZ    PHE   72  18.43 +/- 1.69   0.963% *  0.0984% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HZ    PHE   72  16.57 +/- 2.76   1.502% *  0.0370% (0.38  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HZ    PHE   72  16.94 +/- 1.99   1.449% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.12 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.468, support = 2.96, residual support = 24.5:
        T HB2   LEU   67 - HZ    PHE   72   5.09 +/- 1.15  31.592% * 76.5696% (0.45 10.00   3.11  26.85) =  90.982%  kept
          HB    ILE   19 - HZ    PHE   72  10.14 +/- 2.61   9.658% * 11.0358% (0.73  1.00   1.78   1.14) =   4.009%  kept
          HG2   PRO   68 - HZ    PHE   72   8.77 +/- 1.82   9.518% *  9.8312% (0.80  1.00   1.44   0.40) =   3.520%  kept
          HB    VAL   18 - HZ    PHE   72   6.82 +/- 4.52  26.802% *  1.3270% (0.22  1.00   0.70   0.56) =   1.338%  kept
          HB2   GLN   17 - HZ    PHE   72  11.15 +/- 3.25   3.376% *  0.7526% (0.18  1.00   0.50   0.02) =   0.096%
          HB2   LEU  115 - HZ    PHE   72  11.94 +/- 2.46   4.477% *  0.1427% (0.84  1.00   0.02   0.02) =   0.024%
          QB    GLU- 114 - HZ    PHE   72  14.58 +/- 2.55   2.867% *  0.1105% (0.65  1.00   0.02   0.02) =   0.012%
          QB    GLU-  15 - HZ    PHE   72  13.27 +/- 3.07   9.507% *  0.0299% (0.18  1.00   0.02   0.02) =   0.011%
          HG3   PRO   58 - HZ    PHE   72  14.83 +/- 2.11   1.508% *  0.1481% (0.87  1.00   0.02   0.02) =   0.008%
          HB3   GLU-  25 - HZ    PHE   72  18.68 +/- 1.78   0.694% *  0.0527% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 1 structures by 0.18 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.567, support = 2.36, residual support = 15.4:
          HB3   LEU   67 - HZ    PHE   72   4.41 +/- 1.28  41.824% * 27.4789% (0.38   3.05  26.85) =  55.410%  kept
          HG12  ILE   19 - HZ    PHE   72   9.90 +/- 3.28  13.121% * 33.0536% (0.84   1.65   1.14) =  20.910%  kept
          HB3   LYS+  74 - HZ    PHE   72   7.69 +/- 2.04  13.015% * 31.2161% (0.90   1.45   1.31) =  19.587%  kept
          QG    LYS+  66 - HZ    PHE   72   7.65 +/- 1.38  13.494% *  5.8725% (0.22   1.10   0.61) =   3.821%  kept
          QB    ALA   61 - HZ    PHE   72   7.56 +/- 1.20   8.718% *  0.2527% (0.53   0.02   0.02) =   0.106%  kept
          QB    LEU   98 - HZ    PHE   72  10.54 +/- 1.75   3.579% *  0.3107% (0.65   0.02   0.02) =   0.054%
          HB2   LEU   80 - HZ    PHE   72  13.22 +/- 1.96   1.369% *  0.4761% (0.99   0.02   0.02) =   0.031%
          HG    LEU   80 - HZ    PHE   72  12.77 +/- 2.30   1.622% *  0.3488% (0.73   0.02   0.02) =   0.027%
          HD3   LYS+ 121 - HZ    PHE   72  15.77 +/- 3.52   1.245% *  0.4434% (0.92   0.02   0.02) =   0.027%
          QB    ALA  110 - HZ    PHE   72  15.75 +/- 2.44   1.092% *  0.3671% (0.76   0.02   0.02) =   0.019%
          QB    ALA   12 - HZ    PHE   72  16.63 +/- 3.50   0.921% *  0.1803% (0.38   0.02   0.02) =   0.008%
    Distance limit 4.42 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 = 0.547, support = 3.01, residual support = 20.7:
        T QD1   LEU   67 - HZ    PHE   72   3.29 +/- 0.76  52.661% * 37.0272% (0.41 10.00   3.54  26.85) =  75.513%  kept
        T HB    VAL   75 - HZ    PHE   72   6.21 +/- 0.55  10.006% * 61.8378% (0.98 10.00   1.40   1.90) =  23.961%  kept
        T QD1   ILE  119 - HZ    PHE   72   9.44 +/- 3.22  14.992% *  0.4739% (0.53 10.00   0.02   0.02) =   0.275%  kept
          HG3   LYS+  74 - HZ    PHE   72   8.06 +/- 2.44  10.970% *  0.5566% (0.22  1.00   0.56   1.31) =   0.236%  kept
          QD2   LEU   40 - HZ    PHE   72   8.12 +/- 1.28   5.566% *  0.0404% (0.45  1.00   0.02   0.02) =   0.009%
          QG2   ILE  103 - HZ    PHE   72  11.90 +/- 2.14   3.304% *  0.0278% (0.31  1.00   0.02   0.02) =   0.004%
          HB2   LEU  104 - HZ    PHE   72  13.15 +/- 2.67   1.421% *  0.0225% (0.25  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HZ    PHE   72  13.71 +/- 1.78   1.081% *  0.0139% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.07 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.815, support = 3.07, residual support = 22.1:
        T HB3   LEU   63 - HZ    PHE   72   4.95 +/- 2.57  37.916% * 68.3920% (0.95 10.00   3.21  16.13) =  76.842%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.78 +/- 1.03  26.354% * 27.1347% (0.38 10.00   2.75  45.40) =  21.191%  kept
          QG1   VAL   18 - HZ    PHE   72   5.45 +/- 3.62  30.661% *  1.9330% (0.49  1.00   1.10   0.56) =   1.756%  kept
          QD1   LEU   71 - HZ    PHE   72   9.40 +/- 0.78   2.861% *  2.4656% (0.20  1.00   3.45  19.23) =   0.209%  kept
          QG1   VAL  108 - HZ    PHE   72  15.35 +/- 2.00   0.715% *  0.0604% (0.84  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HZ    PHE   72  12.66 +/- 3.06   1.493% *  0.0143% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.847, support = 2.52, residual support = 21.7:
          QD2   LEU   63 - HZ    PHE   72   4.00 +/- 1.64  42.070% * 23.1458% (0.69   2.32  16.13) =  44.111%  kept
          QD1   LEU   63 - HZ    PHE   72   5.36 +/- 1.80  19.766% * 39.2865% (0.98   2.76  16.13) =  35.179%  kept
          QD1   LEU   73 - HZ    PHE   72   8.05 +/- 1.15  12.268% * 36.5094% (0.98   2.57  44.16) =  20.291%  kept
          QG2   VAL   41 - HZ    PHE   72   8.05 +/- 1.70  13.367% *  0.5184% (0.18   0.20   0.02) =   0.314%  kept
          QD2   LEU  115 - HZ    PHE   72   9.76 +/- 2.00   5.288% *  0.2107% (0.73   0.02   0.02) =   0.050%
          QD2   LEU   80 - HZ    PHE   72  10.75 +/- 1.53   3.765% *  0.1993% (0.69   0.02   0.02) =   0.034%
          QD1   LEU  104 - HZ    PHE   72  11.85 +/- 2.31   3.475% *  0.1301% (0.45   0.02   0.02) =   0.020%
    Distance limit 4.79 A violated in 0 structures by 0.05 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.63, residual support = 45.4:
        T QG2   VAL   70 - HZ    PHE   72   4.29 +/- 0.65 100.000% *100.0000% (0.90 10.00   4.63  45.40) = 100.000%  kept
    Distance limit 4.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.87, residual support = 70.6:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.87  70.65) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.6:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.485% * 99.9913% (0.98  10.0   1.00  70.65) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.31 +/- 2.83   0.515% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.6:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  95.825% * 99.8601% (0.98  10.0 10.00   1.00  70.65) =  99.997%  kept
          QD    PHE   97 - HE3   TRP   87   9.89 +/- 2.25   2.158% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HE3   TRP   49 - HE3   TRP   87  22.30 +/- 4.09   2.017% *  0.0382% (0.38   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 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.6:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  93.442% * 99.5607% (0.99  10.0   1.00  70.65) =  99.989%  kept
          HD21  ASN   28 - HH2   TRP   87  11.72 +/- 5.67   4.474% *  0.1969% (0.98   1.0   0.02   0.02) =   0.009%
          QE    PHE   60 - HH2   TRP   87  15.05 +/- 3.24   0.905% *  0.0978% (0.49   1.0   0.02   0.02) =   0.001%
          HN    ILE   56 - HH2   TRP   87  21.59 +/- 3.64   0.877% *  0.0620% (0.31   1.0   0.02   0.02) =   0.001%
          HN    LEU   63 - HH2   TRP   87  17.81 +/- 2.28   0.303% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.6:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  90.337% * 99.7330% (0.90  10.0   1.00  70.65) =  99.999%  kept
          HN    HIS  122 - HZ2   TRP   87  21.15 +/- 3.36   0.190% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    ILE   56   6.06 +/- 0.76   7.433% *  0.0027% (0.01   1.0   0.02  20.27) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  19.77 +/- 2.14   0.219% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  14.69 +/- 3.08   0.972% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.59 +/- 3.64   0.849% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.861, support = 0.745, residual support = 5.66:
          HZ2   TRP   27 - HZ2   TRP   87   6.40 +/- 5.85  55.290% * 97.3361% (0.87   0.75   5.71) =  99.153%  kept
          HZ    PHE   72 - HZ2   TRP   87  13.35 +/- 2.41  17.519% *  2.5312% (0.15   0.11   0.02) =   0.817%  kept
          HZ2   TRP   27 - HN    ILE   56  20.13 +/- 2.23  11.423% *  0.1126% (0.04   0.02   0.02) =   0.024%
          HZ    PHE   72 - HN    ILE   56  14.37 +/- 1.60  15.769% *  0.0200% (0.01   0.02   0.02) =   0.006%
    Distance limit 4.30 A violated in 6 structures by 2.49 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.677, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HZ3   TRP   87  13.13 +/- 1.64  28.876% * 10.8062% (0.49   0.02   0.02) =  24.031%  kept
          HD21  ASN   35 - HZ3   TRP   87  17.24 +/- 5.46  21.290% * 11.6802% (0.53   0.02   0.02) =  19.151%  kept
          HN    LEU   67 - HZ3   TRP   87  18.78 +/- 2.55  10.568% * 19.9101% (0.90   0.02   0.02) =  16.205%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.95 +/- 3.21   8.510% * 22.0041% (0.99   0.02   0.02) =  14.422%  kept
          HN    THR   23 - HZ3   TRP   87  18.32 +/- 4.35  14.465% * 11.6802% (0.53   0.02   0.02) =  13.012%  kept
          HD2   HIS   22 - HZ3   TRP   87  21.84 +/- 3.84   6.756% * 20.4937% (0.92   0.02   0.02) =  10.663%  kept
          QD    PHE   55 - HZ3   TRP   87  20.50 +/- 3.36   9.535% *  3.4254% (0.15   0.02   0.02) =   2.515%  kept
    Distance limit 3.75 A violated in 20 structures by 7.37 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   3.92 +/- 0.26  95.260% * 97.7117% (0.38   3.72  22.68) =  99.961%  kept
          HN    GLU-  29 - HD1   TRP   87  16.03 +/- 4.40   1.956% *  1.1204% (0.80   0.02   0.02) =   0.024%
          HN    GLN   30 - HD1   TRP   87  15.78 +/- 4.23   2.025% *  0.4318% (0.31   0.02   0.02) =   0.009%
          HN    VAL   18 - HD1   TRP   87  20.87 +/- 4.22   0.759% *  0.7361% (0.53   0.02   0.02) =   0.006%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.81:
          QD1   LEU   31 - HH2   TRP   87   7.23 +/- 5.48 100.000% *100.0000% (0.80   0.75   1.81) = 100.000%  kept
    Distance limit 4.91 A violated in 7 structures by 3.09 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.574, support = 1.57, residual support = 1.8:
          QD2   LEU   98 - HH2   TRP   87   5.76 +/- 4.03  34.296% * 61.7217% (0.53  1.00   1.88   2.31) =  73.306%  kept
          QG2   VAL   41 - HH2   TRP   87   7.11 +/- 4.39  22.285% * 32.9136% (0.73  1.00   0.73   0.42) =  25.401%  kept
        T QD2   LEU  115 - HH2   TRP   87  14.74 +/- 1.63   8.090% *  2.1806% (0.18 10.00   0.02   0.02) =   0.611%  kept
          QD1   LEU   73 - HH2   TRP   87  10.42 +/- 4.16  11.275% *  0.5582% (0.45  1.00   0.02   0.02) =   0.218%  kept
          QD1   LEU   80 - HH2   TRP   87  10.07 +/- 1.93   7.166% *  0.6551% (0.53  1.00   0.02   0.02) =   0.163%  kept
          QD2   LEU   63 - HH2   TRP   87  13.37 +/- 2.47   3.545% *  1.2205% (0.98  1.00   0.02   0.02) =   0.150%  kept
          QD1   LEU   63 - HH2   TRP   87  13.69 +/- 2.16   5.017% *  0.5582% (0.45  1.00   0.02   0.02) =   0.097%
          QD2   LEU   80 - HH2   TRP   87   9.49 +/- 2.12   8.325% *  0.1921% (0.15  1.00   0.02   0.02) =   0.055%
    Distance limit 4.76 A violated in 3 structures by 0.70 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.762, support = 0.738, residual support = 2.28:
          QD1   LEU   98 - HH2   TRP   87   6.09 +/- 3.91  51.341% * 94.3481% (0.76   0.75   2.31) =  98.391%  kept
          QD2   LEU  104 - HH2   TRP   87   9.31 +/- 3.71  21.512% *  2.3906% (0.73   0.02   0.02) =   1.045%  kept
          QD1   ILE   19 - HH2   TRP   87  15.42 +/- 4.07   6.666% *  1.8639% (0.57   0.02   0.02) =   0.252%  kept
          QG2   THR   46 - HH2   TRP   87  12.60 +/- 1.65  14.537% *  0.8209% (0.25   0.02   0.02) =   0.242%  kept
          QG2   VAL   18 - HH2   TRP   87  15.85 +/- 3.57   5.944% *  0.5766% (0.18   0.02   0.02) =   0.070%
    Distance limit 4.32 A violated in 7 structures by 1.40 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 70.6:
      O T HB2   TRP   87 - HE3   TRP   87   2.41 +/- 0.03  99.604% * 99.0099% (1.00  10.0 10.00   3.23  70.65) =  99.996%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.17 +/- 3.13   0.396% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.004%
    Distance limit 4.65 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 = 0.936, support = 0.403, residual support = 0.39:
        T QD1   ILE  103 - HE3   TRP   87   6.00 +/- 3.88  39.494% * 97.0381% (0.95 10.00   0.41   0.39) =  98.656%  kept
          QG2   ILE  103 - HE3   TRP   87   6.97 +/- 3.49  26.774% *  1.6384% (0.28  1.00   0.23   0.39) =   1.129%  kept
          QG2   ILE  119 - HE3   TRP   87  17.80 +/- 2.23   5.665% *  0.5060% (1.00  1.00   0.02   0.02) =   0.074%
          QD2   LEU   71 - HE3   TRP   87  15.15 +/- 2.21   5.772% *  0.4389% (0.87  1.00   0.02   0.02) =   0.065%
          HG3   LYS+  74 - HE3   TRP   87  17.36 +/- 3.39   8.871% *  0.1899% (0.38  1.00   0.02   0.02) =   0.043%
          QD2   LEU   40 - HE3   TRP   87  11.37 +/- 2.51   8.497% *  0.0886% (0.18  1.00   0.02   0.02) =   0.019%
          QD1   LEU   67 - HE3   TRP   87  14.64 +/- 2.58   4.927% *  0.1001% (0.20  1.00   0.02   0.02) =   0.013%
    Distance limit 4.83 A violated in 5 structures by 1.36 A, kept.
    Not enough total support, support cutoff is 0.66
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 70.6:
          HA    TRP   87 - HD1   TRP   87   4.34 +/- 0.11  95.314% * 99.0822% (0.80   4.13  70.65) =  99.986%  kept
          HA    PHE   59 - HD1   TRP   87  18.96 +/- 2.74   1.427% *  0.5787% (0.97   0.02   0.02) =   0.009%
          HA    ASP- 113 - HD1   TRP   87  20.41 +/- 1.80   1.013% *  0.2465% (0.41   0.02   0.02) =   0.003%
          HA    LYS+  99 - HD1   TRP   87  15.77 +/- 1.98   2.246% *  0.0925% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.31, residual support = 16.2:
        T HA    VAL   83 - HD1   TRP   87   4.15 +/- 0.37  89.816% * 95.9068% (0.41 10.00   4.31  16.24) =  99.889%  kept
        T HA    VAL   24 - HD1   TRP   87  12.35 +/- 4.49   7.237% *  0.8755% (0.38 10.00   0.02   0.02) =   0.073%
        T HA    LYS+  38 - HD1   TRP   87  20.36 +/- 2.38   0.866% *  2.0922% (0.90 10.00   0.02   0.02) =   0.021%
        T HA    GLU- 100 - HD1   TRP   87  17.64 +/- 2.34   1.307% *  1.0459% (0.45 10.00   0.02   0.02) =   0.016%
          HD2   PRO   58 - HD1   TRP   87  21.30 +/- 2.18   0.774% *  0.0796% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 4.47 A violated in 0 structures by 0.05 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 70.6:
      O   HB2   TRP   87 - HD1   TRP   87   3.89 +/- 0.02  98.361% * 99.0099% (1.00  10.0  1.00   3.94  70.65) =  99.983%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.43 +/- 2.46   1.639% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.017%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.7:
        T HB2   ASP-  86 - HD1   TRP   87   3.03 +/- 0.30  95.474% * 98.2033% (1.00 10.00   3.60  22.68) =  99.984%  kept
        T HB2   ASN   28 - HD1   TRP   87  14.84 +/- 4.62   1.243% *  0.8221% (0.84 10.00   0.02   0.02) =   0.011%
        T HB2   ASN   35 - HD1   TRP   87  19.97 +/- 3.59   0.441% *  0.7881% (0.80 10.00   0.02   0.02) =   0.004%
          QE    LYS+  65 - HD1   TRP   87  19.57 +/- 3.89   0.706% *  0.0931% (0.95  1.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD1   TRP   87  18.78 +/- 3.12   0.503% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.67 +/- 1.17   1.633% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.8, residual support = 70.6:
      O   HB3   TRP   87 - HD1   TRP   87   2.85 +/- 0.11  93.132% * 99.2543% (0.25  10.0   3.80  70.65) =  99.984%  kept
          HG3   MET   96 - HD1   TRP   87   8.05 +/- 2.22   6.075% *  0.2254% (0.57   1.0   0.02   0.02) =   0.015%
          HG2   GLU-  36 - HD1   TRP   87  23.80 +/- 2.75   0.177% *  0.3187% (0.80   1.0   0.02   0.02) =   0.001%
          HG3   GLN  116 - HD1   TRP   87  21.17 +/- 1.51   0.254% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  19.80 +/- 2.90   0.362% *  0.0788% (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 227 (0.07, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.872, support = 3.71, residual support = 16.5:
        T QG2   VAL   83 - HD1   TRP   87   2.82 +/- 0.87  49.089% * 87.0816% (0.90 10.00   3.67  16.24) =  90.223%  kept
          QD1   ILE   89 - HD1   TRP   87   3.34 +/- 0.56  36.127% * 12.8134% (0.65  1.00   4.08  18.94) =   9.770%  kept
          QG2   VAL   43 - HD1   TRP   87   5.45 +/- 1.75  13.018% *  0.0131% (0.14  1.00   0.02   0.02) =   0.004%
          QD2   LEU   31 - HD1   TRP   87  10.43 +/- 3.24   1.767% *  0.0919% (0.95  1.00   0.02   1.81) =   0.003%
    Distance limit 3.61 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 = 0.918, support = 1.04, residual support = 18.6:
        T QG2   ILE   89 - HD1   TRP   87   4.38 +/- 0.15  42.453% * 89.3613% (0.95 10.00   0.97  18.94) =  87.250%  kept
          QG1   VAL   83 - HD1   TRP   87   4.04 +/- 0.89  52.349% * 10.5846% (0.73  1.00   1.50  16.24) =  12.744%  kept
          QD1   LEU  104 - HD1   TRP   87  13.54 +/- 3.14   5.198% *  0.0540% (0.28  1.00   0.02   0.02) =   0.006%
    Distance limit 4.82 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 = 0.591, support = 0.627, residual support = 1.34:
          QD2   LEU   98 - HZ2   TRP   87   6.62 +/- 3.50  18.924% * 40.2616% (0.53   0.75   2.31) =  50.669%  kept
          QG2   VAL   41 - HZ2   TRP   87   7.27 +/- 3.80  15.352% * 38.3675% (0.73   0.52   0.42) =  39.172%  kept
          QD1   LEU   73 - HZ2   TRP   87   9.40 +/- 3.80   7.503% * 15.2501% (0.45   0.33   0.02) =   7.610%  kept
          QD2   LEU  115 - HN    ILE   56   6.48 +/- 1.58  17.360% *  1.1223% (0.01   1.45   0.12) =   1.296%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.12 +/- 1.94   7.797% *  1.0736% (0.53   0.02   0.02) =   0.557%  kept
          QD2   LEU   80 - HZ2   TRP   87   7.50 +/- 2.20  12.028% *  0.3149% (0.15   0.02   0.02) =   0.252%  kept
          QD2   LEU   63 - HZ2   TRP   87  13.16 +/- 2.37   1.730% *  2.0003% (0.98   0.02   0.02) =   0.230%  kept
          QD1   LEU   63 - HZ2   TRP   87  13.51 +/- 2.31   1.864% *  0.9149% (0.45   0.02   0.02) =   0.113%  kept
          QD2   LEU  115 - HZ2   TRP   87  14.55 +/- 1.59   2.118% *  0.3574% (0.18   0.02   0.02) =   0.050%
          QD2   LEU   63 - HN    ILE   56  10.34 +/- 1.61   3.442% *  0.0868% (0.04   0.02   0.02) =   0.020%
          QD1   LEU   63 - HN    ILE   56   8.82 +/- 1.88   6.462% *  0.0397% (0.02   0.02   0.02) =   0.017%
          QD1   LEU   73 - HN    ILE   56  15.09 +/- 3.26   2.367% *  0.0397% (0.02   0.02   0.02) =   0.006%
          QG2   VAL   41 - HN    ILE   56  17.78 +/- 1.25   0.709% *  0.0643% (0.03   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ILE   56  17.37 +/- 2.49   0.805% *  0.0466% (0.02   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    ILE   56  18.17 +/- 2.33   0.692% *  0.0466% (0.02   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    ILE   56  17.51 +/- 2.06   0.845% *  0.0137% (0.01   0.02   0.02) =   0.001%
    Distance limit 5.07 A violated in 1 structures by 0.15 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.179, support = 0.687, residual support = 1.66:
          QD1   LEU   31 - HZ2   TRP   87   6.79 +/- 5.14  39.091% * 92.4210% (0.15   0.75   1.81) =  91.439%  kept
          QG2   VAL   43 - HZ2   TRP   87   4.73 +/- 2.68  46.758% *  7.1612% (0.45   0.02   0.02) =   8.475%  kept
          QG2   VAL   43 - HN    ILE   56  14.87 +/- 1.29   9.324% *  0.3108% (0.02   0.02   0.02) =   0.073%
          QD1   LEU   31 - HN    ILE   56  18.37 +/- 1.87   4.826% *  0.1070% (0.01   0.02   0.02) =   0.013%
    Distance limit 4.73 A violated in 3 structures by 0.86 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.752, support = 2.76, residual support = 55.9:
          HA    TRP   49 - HE3   TRP   49   4.30 +/- 0.62  46.822% * 48.9769% (0.69   3.19  85.92) =  62.571%  kept
          HA    CYS   50 - HE3   TRP   49   5.30 +/- 0.97  31.222% * 41.3884% (0.87   2.14   5.15) =  35.259%  kept
          HA    ALA   47 - HE3   TRP   49   8.05 +/- 1.18   8.638% *  8.6670% (0.76   0.51  15.14) =   2.043%  kept
          HA1   GLY  109 - HE3   TRP   49  17.87 +/- 4.45  10.423% *  0.3730% (0.84   0.02   0.02) =   0.106%  kept
          HA    VAL  108 - HE3   TRP   49  17.97 +/- 3.57   1.958% *  0.2889% (0.65   0.02   0.02) =   0.015%
          HA    CYS   21 - HE3   TRP   49  21.56 +/- 4.19   0.774% *  0.2174% (0.49   0.02   0.02) =   0.005%
          HA    LYS+ 102 - HE3   TRP   49  28.90 +/- 2.43   0.165% *  0.0884% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 0.996, support = 3.59, residual support = 85.6:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  80.997% * 96.0713% (1.00   3.60  85.92) =  99.678%  kept
          QE    PHE   95 - HE3   TRP   49  11.97 +/- 2.31   8.661% *  2.4117% (0.38   0.24   0.02) =   0.268%  kept
          HN    LEU   67 - HE3   TRP   49  19.51 +/- 5.34   4.254% *  0.4279% (0.80   0.02   0.02) =   0.023%
          HD2   HIS   22 - HE3   TRP   49  21.36 +/- 5.28   3.362% *  0.5238% (0.98   0.02   0.02) =   0.023%
          HN    THR   23 - HE3   TRP   49  20.95 +/- 4.71   2.387% *  0.2197% (0.41   0.02   0.02) =   0.007%
          HD21  ASN   35 - HE3   TRP   49  32.67 +/- 3.19   0.339% *  0.3457% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.18 A violated in 0 structures by 0.89 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.788, support = 0.02, residual support = 41.6:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  41.102% * 16.7579% (0.84   0.02  85.92) =  48.408%  kept
          HN    LEU   67 - HH2   TRP   49  18.64 +/- 6.06  13.332% * 20.0629% (1.00   0.02   0.02) =  18.798%  kept
          QE    PHE   95 - HH2   TRP   49  10.53 +/- 2.42  14.683% * 15.3326% (0.76   0.02   0.02) =  15.822%  kept
          QD    PHE   55 - HH2   TRP   49   9.14 +/- 2.83  24.444% *  6.8436% (0.34   0.02   0.02) =  11.757%  kept
          HN    THR   23 - HH2   TRP   49  21.79 +/- 4.52   1.942% * 16.0651% (0.80   0.02   0.02) =   2.193%  kept
          HD2   HIS   22 - HH2   TRP   49  22.45 +/- 4.99   2.184% * 13.7814% (0.69   0.02   0.02) =   2.116%  kept
          HE3   TRP   27 - HH2   TRP   49  21.22 +/- 3.73   1.905% *  5.5782% (0.28   0.02   0.02) =   0.747%  kept
          HD21  ASN   35 - HH2   TRP   49  31.90 +/- 3.31   0.408% *  5.5782% (0.28   0.02   0.02) =   0.160%  kept
    Distance limit 4.09 A violated in 18 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.744, support = 4.19, residual support = 55.5:
          HA    TRP   49 - HD1   TRP   49   4.07 +/- 0.48  41.304% * 45.2249% (0.69   5.03  85.92) =  60.827%  kept
          HA    CYS   50 - HD1   TRP   49   5.73 +/- 1.01  19.650% * 41.5229% (0.87   3.66   5.15) =  26.569%  kept
          HA    ALA   47 - HD1   TRP   49   4.87 +/- 1.11  30.378% * 12.6851% (0.76   1.27  15.14) =  12.548%  kept
          HA1   GLY  109 - HD1   TRP   49  16.78 +/- 4.59   5.851% *  0.2186% (0.84   0.02   0.02) =   0.042%
          HA    VAL  108 - HD1   TRP   49  16.31 +/- 3.71   1.755% *  0.1693% (0.65   0.02   0.02) =   0.010%
          HA    CYS   21 - HD1   TRP   49  19.59 +/- 4.96   0.904% *  0.1274% (0.49   0.02   0.02) =   0.004%
          HA    LYS+ 102 - HD1   TRP   49  26.63 +/- 1.67   0.158% *  0.0518% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   2.91 +/- 0.65 100.000% *100.0000% (0.61   3.86  73.45) = 100.000%  kept
    Distance limit 4.59 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   2.75 +/- 0.44 100.000% *100.0000% (0.98 10.00   3.44  73.45) = 100.000%  kept
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.895, support = 2.03, residual support = 4.37:
          HA    ASP-  44 - QD    PHE   95   4.39 +/- 1.70  58.837% * 93.3094% (0.90   2.04   4.39) =  99.566%  kept
          HB    THR   77 - QD    PHE   95  11.37 +/- 1.63   6.715% *  0.8529% (0.84   0.02   0.02) =   0.104%  kept
          HA    ILE  103 - QD    PHE   95  11.25 +/- 0.94   7.520% *  0.7415% (0.73   0.02   0.02) =   0.101%  kept
          HA    SER   85 - QD    PHE   95  14.40 +/- 1.09   4.259% *  0.8529% (0.84   0.02   0.02) =   0.066%
          HA    ASP-  86 - QD    PHE   95  14.93 +/- 0.80   3.128% *  0.7415% (0.73   0.02   0.02) =   0.042%
          HA    LEU  104 - QD    PHE   95  11.73 +/- 1.04   6.162% *  0.2839% (0.28   0.02   0.02) =   0.032%
          HA1   GLY   51 - QD    PHE   95  13.78 +/- 1.76   5.821% *  0.2021% (0.20   0.02   0.02) =   0.021%
          HA    MET   11 - QD    PHE   95  26.30 +/- 4.11   0.968% *  0.9426% (0.92   0.02   0.02) =   0.017%
          HA    GLU-  79 - QD    PHE   95  15.70 +/- 1.37   2.561% *  0.3483% (0.34   0.02   0.02) =   0.016%
          HA    GLU-  14 - QD    PHE   95  21.27 +/- 2.29   1.152% *  0.6606% (0.65   0.02   0.02) =   0.014%
          HA    ALA   12 - QD    PHE   95  25.14 +/- 2.96   0.776% *  0.7804% (0.76   0.02   0.02) =   0.011%
          HA    THR   39 - QD    PHE   95  15.99 +/- 1.66   2.101% *  0.2839% (0.28   0.02   0.02) =   0.011%
    Distance limit 4.56 A violated in 4 structures by 0.61 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   2.39 +/- 0.14 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.45) = 100.000%  kept
    Distance limit 4.13 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   2.53 +/- 0.17  96.727% * 96.3284% (0.99  10.0 10.00   3.31  73.45) =  99.881%  kept
          HG2   GLN  116 - QD    PHE   95   8.32 +/- 0.93   3.038% *  3.6446% (1.00   1.0  1.00   0.75   0.78) =   0.119%  kept
          HG2   GLU-  25 - QD    PHE   95  20.82 +/- 2.33   0.235% *  0.0270% (0.28   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 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.913, support = 3.38, residual support = 42.2:
        T HB    VAL  107 - QD    PHE   95   2.83 +/- 0.85  59.657% * 92.6922% (0.92 10.00   3.43  43.16) =  97.511%  kept
          QE    LYS+ 112 - QD    PHE   95   5.23 +/- 1.20  19.749% *  4.2519% (0.53  1.00   1.61   4.84) =   1.481%  kept
          HB3   PHE   45 - QD    PHE   95   6.50 +/- 1.51  19.574% *  2.9192% (0.53  1.00   1.11   2.00) =   1.008%  kept
          QG    GLU-  79 - QD    PHE   95  13.84 +/- 1.78   0.746% *  0.0528% (0.53  1.00   0.02   0.02) =   0.001%
          QG    GLN   32 - QD    PHE   95  18.81 +/- 1.08   0.274% *  0.0839% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.71, support = 0.696, residual support = 2.79:
          HB3   ASP-  44 - QD    PHE   95   5.16 +/- 1.95  23.516% * 25.1496% (0.76   0.83   4.39) =  46.097%  kept
          HB2   LEU   63 - QD    PHE   95   7.35 +/- 2.42  12.270% * 22.3161% (0.65   0.87   1.56) =  21.342%  kept
          HB3   PRO   93 - QD    PHE   95   5.55 +/- 0.92  16.691% *  9.4558% (1.00   0.24   0.02) =  12.302%  kept
          HB2   LYS+ 112 - QD    PHE   95   6.43 +/- 1.50  14.890% *  6.9388% (0.49   0.36   4.84) =   8.053%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.99 +/- 0.73   4.197% * 15.8388% (0.61   0.65   0.02) =   5.181%  kept
          HB    VAL   42 - QD    PHE   95   8.06 +/- 2.06   6.675% *  9.2291% (0.31   0.75   0.80) =   4.802%  kept
          HG2   LYS+ 111 - QD    PHE   95   8.95 +/- 1.56   6.851% *  2.0159% (0.31   0.16   0.18) =   1.076%  kept
          HG    LEU   98 - QD    PHE   95  11.69 +/- 1.34   1.477% *  4.5823% (0.97   0.12   0.02) =   0.527%  kept
          HG3   LYS+  65 - QD    PHE   95  12.25 +/- 2.88   2.297% *  1.4182% (0.31   0.12   0.02) =   0.254%  kept
          HB3   LEU   73 - QD    PHE   95  11.47 +/- 3.35   6.003% *  0.2993% (0.38   0.02   0.02) =   0.140%  kept
          QB    ALA   84 - QD    PHE   95  10.54 +/- 1.32   1.918% *  0.7956% (1.00   0.02   0.02) =   0.119%  kept
          HB3   LEU   80 - QD    PHE   95  12.86 +/- 2.20   1.254% *  0.4195% (0.53   0.02   0.02) =   0.041%
          QB    ALA  124 - QD    PHE   95  15.10 +/- 1.69   0.626% *  0.7151% (0.90   0.02   0.02) =   0.035%
          HG3   LYS+ 102 - QD    PHE   95  15.85 +/- 1.00   0.519% *  0.3278% (0.41   0.02   0.02) =   0.013%
          HB2   LEU   31 - QD    PHE   95  16.03 +/- 1.49   0.502% *  0.2993% (0.38   0.02   0.02) =   0.012%
          HG3   LYS+  33 - QD    PHE   95  18.54 +/- 1.26   0.314% *  0.1988% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.15, residual support = 43.1:
        T QG2   VAL  107 - QD    PHE   95   2.42 +/- 0.58  94.926% * 98.7109% (0.99 10.00   4.15  43.16) =  99.973%  kept
          HG13  ILE  103 - QD    PHE   95  10.27 +/- 1.22   2.021% *  1.1542% (0.80  1.00   0.29   0.02) =   0.025%
          HG2   LYS+ 121 - QD    PHE   95  12.11 +/- 2.49   1.192% *  0.0864% (0.87  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD    PHE   95  12.94 +/- 2.34   1.861% *  0.0485% (0.49  1.00   0.02   0.02) =   0.001%
    Distance limit 4.11 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 = 0.976, support = 1.57, residual support = 9.62:
        T QD2   LEU  115 - QD    PHE   95   3.83 +/- 0.71  34.399% * 86.7346% (0.99 10.00   1.52  10.51) =  90.138%  kept
          QD1   LEU   63 - QD    PHE   95   5.74 +/- 2.89  26.560% * 10.7913% (0.90  1.00   2.10   1.56) =   8.659%  kept
          QD2   LEU   63 - QD    PHE   95   6.39 +/- 2.88  18.371% *  1.7724% (0.31  1.00   1.00   1.56) =   0.984%  kept
          QD1   LEU   73 - QD    PHE   95  10.09 +/- 2.68  15.043% *  0.4502% (0.90  1.00   0.09   0.02) =   0.205%  kept
          QD2   LEU   80 - QD    PHE   95  11.49 +/- 1.69   1.956% *  0.1125% (0.98  1.00   0.02   0.02) =   0.007%
          QD1   LEU  104 - QD    PHE   95  10.45 +/- 1.17   2.001% *  0.0959% (0.84  1.00   0.02   0.02) =   0.006%
          QG1   VAL   83 - QD    PHE   95  10.76 +/- 1.28   1.670% *  0.0431% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 4.69 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 = 0.65, support = 0.701, residual support = 0.755:
        T QG1   VAL   42 - QD    PHE   95   5.15 +/- 1.82  40.913% * 67.1362% (0.65 10.00   0.75   0.80) =  85.151%  kept
        T QB    ALA   47 - QD    PHE   95   8.53 +/- 1.35  12.877% * 24.7190% (0.76 10.00   0.23   0.02) =   9.868%  kept
          QB    ALA   64 - QD    PHE   95   7.64 +/- 1.41  18.063% *  6.7999% (0.53  1.00   0.93   0.37) =   3.808%  kept
          HG2   LYS+ 112 - QD    PHE   95   6.21 +/- 1.47  28.147% *  1.3449% (0.31  1.00   0.31   4.84) =   1.174%  kept
    Distance limit 4.42 A violated in 1 structures by 0.29 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.709, support = 4.65, residual support = 16.1:
          HA    ILE  119 - HD2   HIS  122   2.30 +/- 0.55  77.071% * 58.4813% (0.73   4.71  17.49) =  89.408%  kept
          HA    THR  118 - HD2   HIS  122   4.84 +/- 0.39  13.077% * 40.7491% (0.57   4.21   4.31) =  10.570%  kept
          HD3   PRO   58 - HD2   HIS  122  10.86 +/- 3.18   8.299% *  0.1057% (0.31   0.02   0.02) =   0.017%
          HA    VAL   75 - HD2   HIS  122  17.64 +/- 2.51   0.468% *  0.1938% (0.57   0.02   0.02) =   0.002%
          HA2   GLY  109 - HD2   HIS  122  16.34 +/- 2.84   0.715% *  0.0952% (0.28   0.02   0.02) =   0.001%
          HB2   TRP   49 - HD2   HIS  122  21.37 +/- 4.00   0.165% *  0.2214% (0.65   0.02   0.02) =   0.001%
          HA    ALA   84 - HD2   HIS  122  21.49 +/- 2.96   0.204% *  0.1535% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.66 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 = 3.57, residual support = 71.3:
      O T HB2   HIS  122 - HD2   HIS  122   3.83 +/- 0.32  93.428% * 99.7225% (0.49  10.0 10.00   3.58  71.33) =  99.993%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.32 +/- 0.97   3.057% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.005%
          HB    THR   46 - HD2   HIS  122  15.72 +/- 2.69   2.179% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - HD2   HIS  122  24.53 +/- 5.19   1.335% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 4.76 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 = 0.951, support = 4.29, residual support = 70.5:
      O T HB3   HIS  122 - HD2   HIS  122   2.99 +/- 0.33  74.467% * 85.9433% (0.97  10.0 10.00   4.27  71.33) =  94.908%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.36 +/- 1.16  24.546% * 13.9864% (0.69   1.0  1.00   4.57  54.35) =   5.091%  kept
          HG2   GLN   30 - HD2   HIS  122  21.16 +/- 4.75   0.804% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  23.96 +/- 3.32   0.183% *  0.0504% (0.57   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 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.668, support = 0.0677, residual support = 0.02:
          QB    LYS+ 106 - HD2   HIS  122  12.22 +/- 4.36  10.082% * 36.3901% (0.65   0.12   0.02) =  45.440%  kept
          HB    ILE   56 - HD2   HIS  122  10.52 +/- 3.22  14.550% *  8.8234% (0.98   0.02   0.02) =  15.901%  kept
          HB3   PRO   58 - HD2   HIS  122  10.18 +/- 3.15  16.170% *  5.4598% (0.61   0.02   0.02) =  10.935%  kept
          HB3   ASP- 105 - HD2   HIS  122   9.96 +/- 5.74  22.147% *  3.0705% (0.34   0.02   0.02) =   8.423%  kept
          HB3   GLN   30 - HD2   HIS  122  19.90 +/- 4.82   6.399% *  8.3095% (0.92   0.02   0.02) =   6.586%  kept
          HG3   PRO   68 - HD2   HIS  122  12.55 +/- 5.01  14.951% *  2.2446% (0.25   0.02   0.02) =   4.156%  kept
          QB    LYS+  33 - HD2   HIS  122  20.83 +/- 4.92   4.367% *  4.0357% (0.45   0.02   0.02) =   2.183%  kept
          HB3   LYS+  38 - HD2   HIS  122  20.01 +/- 5.30   1.955% *  8.9816% (1.00   0.02   0.02) =   2.175%  kept
          HB    ILE  103 - HD2   HIS  122  16.31 +/- 5.44   3.596% *  2.5028% (0.28   0.02   0.02) =   1.115%  kept
          HB2   MET   92 - HD2   HIS  122  19.46 +/- 2.49   1.245% *  7.2079% (0.80   0.02   0.02) =   1.111%  kept
          HG2   ARG+  54 - HD2   HIS  122  17.29 +/- 3.45   3.119% *  2.7783% (0.31   0.02   0.02) =   1.073%  kept
          QB    LYS+  81 - HD2   HIS  122  23.27 +/- 2.19   0.768% *  5.4598% (0.61   0.02   0.02) =   0.520%  kept
          HB3   GLN   90 - HD2   HIS  122  23.30 +/- 2.48   0.651% *  4.7360% (0.53   0.02   0.02) =   0.382%  kept
    Distance limit 4.69 A violated in 9 structures by 1.18 A, kept.
    Not enough support, support cutoff is 0.33
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.89, support = 5.99, residual support = 52.4:
          HB2   LYS+ 121 - HD2   HIS  122   3.43 +/- 0.41  70.218% * 68.6372% (0.92   6.11  54.35) =  91.664%  kept
          HB2   LEU  123 - HD2   HIS  122   6.37 +/- 0.66  14.520% * 30.0833% (0.53   4.70  31.53) =   8.308%  kept
          QD    LYS+  65 - HD2   HIS  122  13.01 +/- 2.41   2.079% *  0.2301% (0.95   0.02   0.02) =   0.009%
          QB    ALA   57 - HD2   HIS  122  10.51 +/- 2.60   7.916% *  0.0375% (0.15   0.02   0.02) =   0.006%
          QD    LYS+  38 - HD2   HIS  122  18.65 +/- 4.84   0.877% *  0.2427% (1.00   0.02   0.02) =   0.004%
          QD    LYS+ 102 - HD2   HIS  122  18.02 +/- 4.96   0.828% *  0.1859% (0.76   0.02   0.02) =   0.003%
          HG3   PRO   93 - HD2   HIS  122  16.59 +/- 2.34   0.903% *  0.1377% (0.57   0.02   0.02) =   0.002%
          HB    VAL   83 - HD2   HIS  122  21.82 +/- 3.14   0.375% *  0.2384% (0.98   0.02   0.02) =   0.002%
          HD2   LYS+  74 - HD2   HIS  122  17.26 +/- 3.29   0.896% *  0.0913% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HD2   HIS  122  17.67 +/- 1.02   0.580% *  0.0676% (0.28   0.02   0.02) =   0.001%
          HB3   MET   92 - HD2   HIS  122  18.31 +/- 2.50   0.808% *  0.0481% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.59 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 = 0.799, support = 4.97, residual support = 54.2:
          HB3   LYS+ 121 - HD2   HIS  122   4.54 +/- 0.65  39.880% * 70.1555% (1.00   4.80  54.35) =  69.694%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.25 +/- 1.20  44.793% * 26.9975% (0.34   5.40  54.35) =  30.124%  kept
          HG    LEU  104 - HD2   HIS  122  13.87 +/- 6.32   2.686% *  1.8274% (1.00   0.12   0.02) =   0.122%  kept
          QD    LYS+  66 - HD2   HIS  122  11.16 +/- 3.88   7.823% *  0.2128% (0.73   0.02   0.02) =   0.041%
          HB3   LYS+ 111 - HD2   HIS  122  15.43 +/- 1.28   0.873% *  0.2828% (0.97   0.02   0.02) =   0.006%
          HD3   LYS+  74 - HD2   HIS  122  17.68 +/- 3.58   0.839% *  0.2772% (0.95   0.02   0.02) =   0.006%
          HG2   LYS+  33 - HD2   HIS  122  21.89 +/- 4.97   1.076% *  0.1000% (0.34   0.02   0.02) =   0.003%
          HG2   LYS+  65 - HD2   HIS  122  14.22 +/- 2.35   1.191% *  0.0815% (0.28   0.02   0.02) =   0.002%
          QG2   THR   26 - HD2   HIS  122  19.57 +/- 3.60   0.840% *  0.0652% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.70 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 = 0.221, support = 3.44, residual support = 16.4:
          QG2   ILE  119 - HD2   HIS  122   3.92 +/- 0.55  49.153% * 68.1171% (0.18  1.00   3.66  17.49) =  93.907%  kept
          QD1   LEU   67 - HD2   HIS  122  10.50 +/- 3.90  11.769% * 12.2282% (1.00  1.00   0.12   0.02) =   4.036%  kept
          QD2   LEU   40 - HD2   HIS  122  10.23 +/- 4.73  16.965% *  2.1264% (1.00  1.00   0.02   0.37) =   1.012%  kept
        T HB    VAL   75 - HD2   HIS  122  15.40 +/- 2.61   1.044% * 12.0386% (0.57 10.00   0.02   0.02) =   0.353%  kept
          QD2   LEU   71 - HD2   HIS  122  12.86 +/- 5.13  12.149% *  0.8742% (0.41  1.00   0.02   0.02) =   0.298%  kept
          QG2   ILE  103 - HD2   HIS  122  11.97 +/- 4.45   5.129% *  2.0521% (0.97  1.00   0.02   0.02) =   0.295%  kept
          QD1   ILE  103 - HD2   HIS  122  13.94 +/- 4.12   2.960% *  0.6563% (0.31  1.00   0.02   0.02) =   0.054%
          HG3   LYS+  74 - HD2   HIS  122  17.42 +/- 3.50   0.831% *  1.9070% (0.90  1.00   0.02   0.02) =   0.044%
    Distance limit 4.63 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 = 0.489, support = 4.42, residual support = 31.3:
          QD1   LEU  123 - HD2   HIS  122   4.57 +/- 0.85  41.544% * 51.9866% (0.49   4.59  31.53) =  77.357%  kept
          QD2   LEU  123 - HD2   HIS  122   6.66 +/- 1.04  13.503% * 45.1346% (0.49   3.98  31.53) =  21.830%  kept
          HB3   LEU  104 - HD2   HIS  122  12.71 +/- 6.14   6.767% *  2.4305% (0.84   0.12   0.02) =   0.589%  kept
          QD1   LEU   71 - HD2   HIS  122  13.21 +/- 5.78  14.235% *  0.2267% (0.49   0.02   0.02) =   0.116%  kept
          QG1   VAL   70 - HD2   HIS  122   8.63 +/- 4.08  21.989% *  0.1295% (0.28   0.02   0.02) =   0.102%  kept
          QG1   VAL   18 - HD2   HIS  122  12.95 +/- 2.81   1.962% *  0.0922% (0.20   0.02   0.02) =   0.006%
    Distance limit 4.78 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 = 1.29, residual support = 4.31:
        T QG2   THR  118 - HD2   HIS  122   3.06 +/- 0.25 100.000% *100.0000% (0.69 10.00   1.29   4.31) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.02 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 = 0.859, support = 1.54, residual support = 17.4:
          HB3   LEU   73 - HE3   TRP   27   5.09 +/- 2.57  26.407% * 49.7451% (0.94   1.70  21.30) =  80.356%  kept
          HB    VAL   42 - HE3   TRP   27   8.62 +/- 1.80   4.962% * 27.5767% (0.97   0.91   0.15) =   8.371%  kept
          HG3   LYS+  65 - HN    LEU   67   5.94 +/- 0.93  14.751% *  4.7039% (0.15   1.00   0.45) =   4.245%  kept
          HB3   LYS+  74 - HE3   TRP   27   7.91 +/- 1.88   8.225% *  8.2414% (0.31   0.86   0.02) =   4.146%  kept
          HB2   LEU   80 - HE3   TRP   27   9.35 +/- 4.88   8.320% *  4.7489% (0.17   0.88   9.37) =   2.417%  kept
          HG3   LYS+  33 - HE3   TRP   27   8.99 +/- 1.10   3.581% *  0.6182% (0.99   0.02   0.02) =   0.135%  kept
          QB    LEU   98 - HE3   TRP   27   9.92 +/- 2.74   3.419% *  0.3508% (0.56   0.02   0.02) =   0.073%
          HG3   LYS+  65 - HE3   TRP   27  14.57 +/- 2.30   1.176% *  0.6074% (0.97   0.02   0.02) =   0.044%
          QB    ALA   12 - HE3   TRP   27  15.86 +/- 3.51   0.974% *  0.5176% (0.83   0.02   0.02) =   0.031%
          HB    VAL   42 - HN    LEU   67   9.01 +/- 1.69   4.898% *  0.0945% (0.15   0.02   0.02) =   0.028%
          HG3   LYS+ 102 - HE3   TRP   27  16.88 +/- 3.59   0.659% *  0.5720% (0.91   0.02   0.02) =   0.023%
          HG3   LYS+ 106 - HE3   TRP   27  15.37 +/- 2.09   0.735% *  0.4735% (0.76   0.02   0.02) =   0.021%
          HB2   LYS+ 112 - HN    LEU   67  15.42 +/- 3.04   3.737% *  0.0836% (0.13   0.02   0.02) =   0.019%
          QB    ALA   84 - HE3   TRP   27  11.74 +/- 3.38   1.876% *  0.1226% (0.20   0.02   0.02) =   0.014%
          HG    LEU   98 - HE3   TRP   27  11.71 +/- 3.14   2.711% *  0.0839% (0.13   0.02   0.02) =   0.014%
          HB2   LYS+ 112 - HE3   TRP   27  19.78 +/- 3.16   0.397% *  0.5375% (0.86   0.02   0.02) =   0.013%
          HB3   LEU   73 - HN    LEU   67  11.81 +/- 1.27   1.679% *  0.0912% (0.15   0.02   0.02) =   0.009%
          HD3   LYS+ 121 - HE3   TRP   27  20.88 +/- 3.89   0.588% *  0.1723% (0.28   0.02   0.02) =   0.006%
          HB3   PRO   93 - HE3   TRP   27  16.22 +/- 2.75   0.685% *  0.1379% (0.22   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HN    LEU   67  16.25 +/- 1.84   0.923% *  0.0962% (0.15   0.02   0.02) =   0.005%
          QB    ALA   12 - HN    LEU   67  16.00 +/- 2.88   1.033% *  0.0805% (0.13   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    LEU   67  10.66 +/- 1.99   2.603% *  0.0298% (0.05   0.02   0.02) =   0.005%
          QB    LEU   98 - HN    LEU   67  13.37 +/- 1.48   1.049% *  0.0546% (0.09   0.02   0.02) =   0.004%
          HG3   LYS+ 106 - HN    LEU   67  17.03 +/- 2.05   0.584% *  0.0737% (0.12   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    LEU   67  15.35 +/- 3.70   1.232% *  0.0268% (0.04   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LEU   67  21.03 +/- 2.22   0.272% *  0.0890% (0.14   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LEU   67  15.39 +/- 2.62   0.787% *  0.0215% (0.03   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   67  15.46 +/- 2.01   0.787% *  0.0130% (0.02   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    LEU   67  17.58 +/- 2.00   0.475% *  0.0191% (0.03   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   67  17.62 +/- 2.16   0.474% *  0.0169% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :     76
      with multiple volume contributions     :    124
      eliminated by violation filter         :      8
 
    Peaks:
      selected                               :    240
      without assignment                     :     21
      with assignment                        :    219
      with unique assignment                 :    105
      with multiple assignment               :    114
      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             :    187
 
    Atoms with eliminated volume contribution > 2.5: